FN Thomson Reuters Web of Science™ VR 1.0 PT S AU Chinthavali, M Ning, PQ Cui, YT Tolbert, LM AF Chinthavali, Madhu Ning, Puqi Cui, Yutian Tolbert, Leon M. GP IEEE TI Investigation on the Parallel Operation of Discrete SiC BJTs and JFETs SO 2011 TWENTY-SIXTH ANNUAL IEEE APPLIED POWER ELECTRONICS CONFERENCE AND EXPOSITION (APEC) SE Annual IEEE Applied Power Electronics Conference and Exposition (APEC) LA English DT Proceedings Paper CT 26th Annual IEEE Applied Power Electronics Conference and Exposition (APEC) CY MAR 06-11, 2011 CL Fort Worth, TX SP IEEE, Power Sources Manufacturers Assoc, IEEE Power Elect Soc, IEEE Ind Applicat Soc ID INVERTER AB This paper presents an analysis of single discrete silicon carbide (SiC) JFET and BJT devices and their parallel operation. The static and dynamic characteristics of the devices were obtained over a wide range of temperature to study the scaling of device parameters. The static parameters like on-resistance, threshold voltage, current gains, transconductance, and leakage currents were extracted to show how these parameters would scale as the devices are paralleled. A detailed analysis of the dynamic current sharing between the paralleled devices during the switching transients and energy losses at different voltages and currents is also presented. The effect of the gate driver on the device transient behavior of the paralleled devices was studied, and it was shown that faster switching speeds of the devices could cause mismatches in current shared during transients. C1 [Chinthavali, Madhu; Tolbert, Leon M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Ning, Puqi] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA. [Cui, Yutian; Tolbert, Leon M.] Univ Tennessee, Knoxville, TN 37996 USA. RP Chinthavali, M (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM chinthavalim@ornl.gov; ningp@ornl.gov; ycui7@utk.edu; tolbert@utk.edu OI Tolbert, Leon/0000-0002-7285-609X NR 15 TC 39 Z9 39 U1 0 U2 2 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1048-2334 BN 978-1-4244-8085-2 J9 APPL POWER ELECT CO PY 2011 BP 1076 EP 1083 PG 8 WC Engineering, Electrical & Electronic SC Engineering GA BWY61 UT WOS:000295322300160 ER PT S AU Ning, PQ Wang, F Ngo, KDT AF Ning, Puqi Wang, Fred Ngo, Khai D. T. GP IEEE TI 250 degrees C SiC High Density Power Module Development SO 2011 TWENTY-SIXTH ANNUAL IEEE APPLIED POWER ELECTRONICS CONFERENCE AND EXPOSITION (APEC) SE Annual IEEE Applied Power Electronics Conference and Exposition (APEC) LA English DT Proceedings Paper CT 26th Annual IEEE Applied Power Electronics Conference and Exposition (APEC) CY MAR 06-11, 2011 CL Fort Worth, TX SP IEEE, Power Sources Manufacturers Assoc, IEEE Power Elect Soc, IEEE Ind Applicat Soc AB Taking full advantage of SiC devices, a team from Oak Ridge National Laboratory, the University of Tennessee and Virginia Polytechnic Institute and State University have designed, developed, and tested a phase-leg power module based on a high temperature wirebond package. Details of the layout, gate drive, and cooling system designs are described. Continuous power tests confirmed that our design process produced a high density power module that operated successfully at high junction temperatures. C1 [Ning, Puqi] Oak Ridge Natl Lab, Natl Transportat Res Ctr, Knoxville, TN 37932 USA. [Wang, Fred] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. [Ngo, Khai D. T.] Virginia Polytech Inst & State Univ, Ctr Power Elect Syst, Blacksburg, VA 24060 USA. RP Ning, PQ (reprint author), Oak Ridge Natl Lab, Natl Transportat Res Ctr, Knoxville, TN 37932 USA. FU National Science Foundation [EEC-9731677] FX The work presented in this paper was primarily supported by the CPES Industry Fellowship from Rolls-Royce Corporation and by The Boeing Company. This paper also made use of ERC Shared Facilities supported by the National Science Foundation under Award Number EEC-9731677. The authors would also like to acknowledge the help of Dr. Dushan Boroyevich from the Center for Power Electronics Systems of Virginia Polytechnic Institute and State University. NR 14 TC 2 Z9 2 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1048-2334 BN 978-1-4244-8085-2 J9 APPL POWER ELECT CO PY 2011 BP 1275 EP 1281 PG 7 WC Engineering, Electrical & Electronic SC Engineering GA BWY61 UT WOS:000295322300189 ER PT S AU Whaley, KB Sarovar, M Ishizaki, A AF Whaley, K. Birgitta Sarovar, Mohan Ishizaki, Akihito BE Fleming, GR Scholes, GD DeWit, A TI Quantum entanglement phenomena in photosynthetic light harvesting complexes SO 22ND SOLVAY CONFERENCE ON CHEMISTRY: QUANTUM EFFECTS IN CHEMISTRY AND BIOLOGY SE Procedia Chemistry LA English DT Proceedings Paper CT 22nd Solvay Conference on Chemistry - Quantum Effects in Chemistry and Biology CY OCT 13-16, 2010 CL Brussels, BELGIUM DE Excitons; energy transport; entanglement; photosynthesis ID ENERGY-TRANSFER; EXCITON DELOCALIZATION; SYSTEMS; COHERENCE; TEMPERATURE; DYNAMICS; PROTEIN; MODEL AB We review recent theoretical calculations of quantum entanglement in photosynthetic light harvesting complexes. These works establish, for the first time, a manifestation of this characteristically quantum mechanical phenomenon in biologically functional structures. We begin by summarizing calculations on model biomolecular systems that aim to reveal non-trivial characteristics of quantum entanglement in non-equilibrium biological environments. We then discuss and compare several calculations performed recently of excitonic dynamics in the Fenna-Matthews-Olson light harvesting complex and of the electronic entanglement present in this widely studied pigment-protein structure. We point out the commonalities between the derived results and also identify and explain the differences. We also discuss recent work that examines entanglement in the structurally more intricate light harvesting complex II (LHCII). During this overview, we take the opportunity to clarify several subtle issues relating to entanglement in such biomolecular systems, including the role of entanglement in biological function, the complexity of dynamical modeling that is required to capture the salient features of entanglement in such biomolecular systems, and the relationship between entanglement and other quantum mechanical features that are observed and predicted in light harvesting complexes. Finally, we suggest possible extensions of the current work and also review the options for experimental confirmation of the predicted entanglement phenomena in light harvesting complexes. C1 [Whaley, K. Birgitta; Sarovar, Mohan] Berkeley Quantum Informat & Computat Ctr, Berkeley, CA 94720 USA. [Whaley, K. Birgitta; Sarovar, Mohan; Ishizaki, Akihito] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Ishizaki, Akihito] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Whaley, KB (reprint author), Berkeley Quantum Informat & Computat Ctr, Berkeley, CA 94720 USA. RI Sarovar, Mohan/B-5335-2012; Ishizaki, Akihito/A-7069-2010 OI Ishizaki, Akihito/0000-0002-0246-4461 NR 65 TC 9 Z9 9 U1 3 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1876-6196 J9 PROCEDIA CHEM PY 2011 VL 3 IS 1 DI 10.1016/j.proche.2011.08.021 PG 13 WC Chemistry, Multidisciplinary SC Chemistry GA BYQ63 UT WOS:000299790700013 ER PT B AU Fowler, KR Kopp, T Orsini, J Griffin, JD Gray, GA AF Fowler, K. R. Kopp, T. Orsini, J. Griffin, J. D. Gray, G. A. BE Bruzzone, AG Piera, MA Longo, F Elfrey, P Affenzeller, M Balci, O TI AN ASYNCHRONOUS PARALLEL HYBRID OPTIMIZATION APPROACH TO SIMULATION-BASED MIXED-INTEGER NONLINEAR PROBLEMS SO 23RD EUROPEAN MODELING & SIMULATION SYMPOSIUM, EMSS 2011 LA English DT Proceedings Paper CT 23rd European Modeling and Simulation Symposium / International Mediterranean and Latin American Modeling Multiconference CY SEP 12-14, 2011 CL Rome, ITALY SP Univ Genoa, DIPTEM, Liophant Simulat, Simulat Team, Int Mediterranean & Latin Amer Counc Simulat, Univ Calabria, Mech Dept, Model & simulat Ctr, Lab Enterprise Solut, Model & Simulat Ctr Excellence, Riga Tech Univ, Miss Latvian Ctr, Logism, Lab Sci Informat & Syst, Univ Perugia, LAMCE COPPE UFRJ, Brasilian Ctr, McLeod Inst Simulat Sci, McLeod Model & Simulat Network, Latvin Simulat Soc, Ecole Superieure Ingn Soc Appliquees, FAC CIENCIAS EXACTAS, Ingn & Agrimensura, Univ Laguna, CIFASIS CONICET UNR UPCAM, Inst Syst & Technol Informat Control & Commun, PRESAGIS DE genetic algorithm; pattern search; asynchronous; mixed-integer nonlinear programming AB To address simulation-based mixed-integer problems, a hybrid algorithm was recently proposed that combines the global search strengths and the natural capability of a genetic algorithm to handle integer variables with a local search on the real variables using an implementation of the generating set search method. Since optimization is guided only by function values, the hybrid is designed to run asynchronously on a parallel platform. The algorithm has already been shown to perform well on a variety of test problems, and this work is a first step in understanding how the parallelism and local search components influence the search phase of the algorithm. We show that the hybridization can improve the capabilities of the genetic algorithm by using less function evaluations to locate the solution and provide a speed-up analysis on a standard mixed-integer test problem with equality and inequality constraints. C1 [Fowler, K. R.; Kopp, T.; Orsini, J.] Clarkson Univ, Dept Math & Comp Sci, Potsdam, NY 13676 USA. [Griffin, J. D.] SAS, New York, NY USA. [Gray, G. A.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Fowler, KR (reprint author), Clarkson Univ, Dept Math & Comp Sci, Potsdam, NY 13676 USA. EM kfowler@clarkson.edu; kooptr@clarkson.edu; orsinijw@clarkson.edu; joshua.griffin@sas.com; gagray@sandia.gov NR 39 TC 0 Z9 0 U1 0 U2 0 PU DIPTEM UNIV GENOA PI GENOA PA VIA OPERA OUA 15, GENOA, 16145, ITALY BN 978-88-903724-4-5 PY 2011 BP 264 EP 271 PG 8 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA BE0YE UT WOS:000367406100038 ER PT S AU Abelev, B AF Abelev, Betty BE Bellwied, R Pruneau, C TI Modeling Quark Gluon Plasma Using CHIMERA SO 27TH WINTER WORKSHOP ON NUCLEAR DYNAMICS (WWND 2011) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 27th Winter Workshop on Nuclear Dynamics (WWND) CY FEB 06-13, 2011 CL Winter Park, CO ID COLLISIONS; COLLABORATION AB We attempt to model Quark Gluon Plasma (QGP) evolution from the initial Heavy Ion collision to the final hadronic gas state by combining the Glauber model initial state conditions with eccentricity fluctuations, pre-equilibrium flow, UVH2+1 viscous hydrodynamics with lattice QCD Equation of State (EoS), a modified Cooper-Frye freeze-out and the UrQMD hadronic cascade. We then evaluate the model parameters using a comprehensive analytical framework which together with the described model we call CHIMERA. Within our framework, the initial state parameters, such as the initial temperature (T-init), presence or absence of initial flow, viscosity over entropy density (eta/s) and different Equations of State (EoS), are varied and then compared simultaneously to several experimental data observables: HBT radii, particle spectra and particle flow. chi(2)/nds values from comparison to the experimental data for each set of initial parameters will then used to find the optimal description of the QGP with parameters that are difficult to obtain experimentally, but are crucial to understanding of the matter produced C1 Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94550 USA. RP Abelev, B (reprint author), Lawrence Livermore Natl Lab, Div Phys, 7000 East Ave,L-211, Livermore, CA 94550 USA. EM abelev@llnl.gov NR 17 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2011 VL 316 AR 012030 DI 10.1088/1742-6596/316/1/012030 PG 8 WC Nuclear Science & Technology; Physics, Applied; Physics, Multidisciplinary SC Nuclear Science & Technology; Physics GA BXF29 UT WOS:000295937800030 ER PT S AU McJunkin, TR Manic, M AF McJunkin, Timothy R. Manic, Milos GP IEEE TI Evolutionary Adaptive Discovery of Phased Array Sensor Signal Identification SO 4TH INTERNATIONAL CONFERENCE ON HUMAN SYSTEM INTERACTION (HSI 2011) SE Conference on Human System Interaction LA English DT Proceedings Paper CT 4th International Conference on Human System Interaction (HSI) CY MAY 19-21, 2011 CL Keio Univ, Yokohama, JAPAN SP Kagawa Univ, IEEE IES, JSPE, Univ Informat Technol & Management Rizeszow HO Keio Univ ID NONDESTRUCTIVE EVALUATION; TRANSDUCER AB Tomography, used to create images of the internal properties and features of an object, from phased array ultasonics is improved through many sophisiticated methonds of post processing of data. One approach used to improve tomographic results is to prescribe the collection of more data, from different points of few so that data fusion might have a richer data set to work from. This approach can lead to rapid increase in the data needed to be stored and processed. It also does not necessarily lead to have the needed data. This article describes a novel approach to utilizing the data aquired as a basis for adapting the sensors focusing parameters to locate more precisely the features in the material: specifically, two evolutionary methods of autofocusing on a returned signal are coupled with the derivations of the forumulas for spatially locating the feature are given. Test results of the two novel methods of evolutionary based focusing (EBF) illustrate the improved signal strength and correction of the position of feature using the optimized focal timing parameters, called Focused Delay Identification (FoDI). C1 [McJunkin, Timothy R.] Idaho Natl Lab, Ind Technl Deptartmet, POB 1625, Idaho Falls, ID 83415 USA. [Manic, Milos] Univ Idaho, Dept Comp Sci, 1776 Sci Ctr Dr,Ste 303, Idaho Falls, ID 83402 USA. RP McJunkin, TR (reprint author), Idaho Natl Lab, Ind Technl Deptartmet, POB 1625, Idaho Falls, ID 83415 USA. EM timothy.mcjunkin@inl.gov; misko@ieee.org RI McJunkin, Timothy/G-8385-2011 OI McJunkin, Timothy/0000-0002-4987-9170 FU U.S. Department of Energy through the INL Laboratory Directed Research and Development (LDRD) Program under DOE Idaho Operations Office [DE-AC07-05ID1417] FX Work was supported by the U.S. Department of Energy through the INL Laboratory Directed Research and Development (LDRD) Program under DOE Idaho Operations Office Contract DE-AC07-05ID1417. NR 10 TC 1 Z9 1 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2158-2246 BN 978-1-4244-9640-2 J9 C HUM SYST INTERACT PY 2011 BP 229 EP 236 PG 8 WC Computer Science, Cybernetics; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BG8HO UT WOS:000392284600030 ER PT S AU Ademard, G Wieleczko, JP del Campo, JG LaCommara, M Bonnet, E Vigilante, M Chbihi, A Frankland, JD Rosato, E Spadaccini, G Kalandarov, SA Beck, C Barlini, S Borderie, B Bougault, R Dayras, R De Angelis, G De Sanctis, J Kravchuk, VL Lautesse, P Le Neindre, N Moisan, J D'Onofrio, A Parlog, M Pierroutsakou, D Romoli, M Roy, R Adamian, GG Antonenko, NV AF Ademard, G. Wieleczko, J. P. del Campo, J. Gomez LaCommara, M. Bonnet, E. Vigilante, M. Chbihi, A. Frankland, J. D. Rosato, E. Spadaccini, G. Kalandarov, Sh. A. Beck, C. Barlini, S. Borderie, B. Bougault, R. Dayras, R. De Angelis, G. De Sanctis, J. Kravchuk, V. L. Lautesse, P. Le Neindre, N. Moisan, J. D'Onofrio, A. Parlog, M. Pierroutsakou, D. Romoli, M. Roy, R. Adamian, G. G. Antonenko, N. V. BE Schmitt, CH Navin, A Rejmund, M Lacroix, D Goutte, H TI Decay of excited nuclei produced in the Kr-78,Kr-82+Ca-40 reactions at 5.5 MeV/nucleon SO 5TH INTERNATIONAL CONFERENCE FUSION11 SE EPJ Web of Conferences LA English DT Proceedings Paper CT 5th International Conference on FUSION11 CY MAY 02-06, 2011 CL St Malo, FRANCE ID COMPLEX FRAGMENT EMISSION AB Decay modes of excited nuclei are studied in Kr-78,Kr-82 + Ca-40 reactions at 5.5 MeV/nucleon by means of light-charged particles measured in coincidence with intermediate mass fragments and fission-like fragments. Inclusive cross-section distributions of fragments with charge 3 <= Z <= 28 are bell-shaped and a strong odd-even-staggering (o-e-s) is observed for 3 <= Z <= 12. Coincidence measurements suggest that the light partners in very asymmetric fission are emitted at excitation energies below the particle emission thresholds. Data were confronted to the predictions of statistical models describing the decay of compound nuclei by emission of light particles and fragments. Comparison with models suggests that the o-e-s of the light-fragment yields is mainly due to the successive steps of compound nucleus disintegration. C1 [Ademard, G.; Wieleczko, J. P.; Bonnet, E.; Chbihi, A.; Frankland, J. D.; Moisan, J.] GANIL, CEA, DSM, CNRS,IN2P3, F-14076 Caen, France. [del Campo, J. Gomez] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [LaCommara, M.; Vigilante, M.; Rosato, E.; Romoli, M.] Univ Naples Federico II, Dipartimento Sci Fis, I-80126 Naples, Italy. [LaCommara, M.; Vigilante, M.; Rosato, E.; Spadaccini, G.; Romoli, M.] Univ Naples Federico II, INFN, I-80126 Naples, Italy. [Kalandarov, Sh. A.; Moisan, J.; Adamian, G. G.; Antonenko, N. V.] Joint Inst Nucl Res, Dubna 141980, Russia. [Kalandarov, Sh. A.; Adamian, G. G.] Uzbek Acad Sci, Inst Nucl Phys, Tashkent 702132, Uzbekistan. [Beck, C.] Univ Strasbourg, CNRS, IPHC, IN2P3, F-67037 Strasbourg, France. [Barlini, S.] Ist Nazl Fis Nucl, I-50125 Florence, Italy. [Bougault, R.; Le Neindre, N.; Parlog, M.] ENSICAEN, CNRS, IN2P3, IPNO, F-91406 Orsay, France. [Dayras, R.] CEA Saclay, IRFU, SPhN, F-91191 Gif Sur Yvette, France. [Dayras, R.] CEA Saclay, SphN, IFRU, CEA, F-91191 Gif Sur Yvette, France. [De Angelis, G.; Kravchuk, V. L.] Ist Nazl Fis Nucl, Lab Nazl Legnaro, I-35020 Legnaro, Italy. [De Sanctis, J.] Sezione Bologna, Ist Nazl Fis Nucl, I-40127 Bologna, Italy. [Lautesse, P.] CNRS, IN2P3, IPNL, F-69622 Villeurbanne, France. [Moisan, J.] Univ Laval, Nucl Phys Lab, Laval, PQ, Canada. [D'Onofrio, A.] Univ Naples 2, Dipartimento Sci Ambientali, I-81100 Caserta, Italy. RP Ademard, G (reprint author), GANIL, CEA, DSM, CNRS,IN2P3, F-14076 Caen, France. EM ademard@ganil.fr RI Frankland, John/I-4768-2013; spadaccini, giulio/K-7633-2015; OI Frankland, John/0000-0002-4907-5041; spadaccini, giulio/0000-0002-6327-432X; Kalandarov, Shuhrat/0000-0002-1229-8006 NR 12 TC 3 Z9 3 U1 2 U2 3 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2011 VL 17 AR 10005 DI 10.1051/epjconf/20111710005 PG 4 WC Physics, Nuclear SC Physics GA BAX19 UT WOS:000305937100047 ER PT S AU Boutoux, G Jurado, B Meot, V Roig, O Aiche, M Mathieu, L Barreau, G Capellan, N Companis, I Czajkowski, S Burke, JT Bauge, E Daugas, JM Faul, T Gaudefroy, L Morel, P Pillet, N Romain, P Taieb, J Theroine, C Derkx, X Serot, O Matea, I Tassan-Got, L Gunsing, F AF Boutoux, G. Jurado, B. Meot, V. Roig, O. Aiche, M. Mathieu, L. Barreau, G. Capellan, N. Companis, I. Czajkowski, S. Burke, J. T. Bauge, E. Daugas, J. M. Faul, T. Gaudefroy, L. Morel, P. Pillet, N. Romain, P. Taieb, J. Theroine, C. Derkx, X. Serot, O. Matea, I. Tassan-Got, L. Gunsing, F. BE Schmitt, CH Navin, A Rejmund, M Lacroix, D Goutte, H TI Neutron-induced cross sections of short-lived nuclei via the surrogate reaction method SO 5TH INTERNATIONAL CONFERENCE FUSION11 SE EPJ Web of Conferences LA English DT Proceedings Paper CT 5th International Conference on FUSION11 CY MAY 02-06, 2011 CL St Malo, FRANCE AB The measurement of neutron-induced cross sections of short-lived nuclei is extremely difficult due to the radioactivity of the samples. The surrogate reaction method is an indirect way of determining cross sections for nuclear reactions that proceed through a compound nucleus. This method presents the advantage that the target material can be stable or less radioactive than the material required for a neutron-induced measurement. We have successfully used the surrogate reaction method to extract neutron-induced fission cross sections of various short-lived actinides. In this work, we investigate whether this technique can be used to determine neutron-induced capture cross sections in the rare-earth region. C1 [Boutoux, G.; Jurado, B.; Aiche, M.; Mathieu, L.; Barreau, G.; Capellan, N.; Companis, I.; Czajkowski, S.] Univ Bordeaux 1, CEN Bordeaux Gradignan, CNRS, IN2P3, Chemin Solarium,BP 120, F-33175 Gradignan, France. [Meot, V.; Roig, O.; Daugas, J. M.; Faul, T.; Gaudefroy, L.; Morel, P.; Pillet, N.; Romain, P.; Taieb, J.; Theroine, C.] CEA, DAM, DIF, F-91297 Arpajon, France. [Burke, J. T.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Derkx, X.] GANIL, F-14076 Caen, France. [Serot, O.] CEN Cadarache, DEN DER SPRC LEPh, F-13108 St Paul Les Durance, France. [Matea, I.; Tassan-Got, L.] Univ Paris 11, CNRS, IPN, IN2P3, F-91405 Orsay, France. [Gunsing, F.] CEA Saclay, DSM DAPNIA SPhN, F-91191 Gif Sur Yvette, France. RP Boutoux, G (reprint author), Univ Bordeaux 1, CEN Bordeaux Gradignan, CNRS, IN2P3, Chemin Solarium,BP 120, F-33175 Gradignan, France. RI Burke, Jason/I-4580-2012 FU SIDONIE; CSNSM; CNRS; PACEN/GEDEPEON; EURATOM; EFNUDAT (European Facilities for Nuclear Data Measurements) [FP6-036434]; ANDES (Accurate Nuclear Data for nuclear Energy Sustainability) [FP7-249671] FX We would like to express our gratitude to M.-G. Porquet and the SIDONIE facility of the CSNSM for providing the 174Yb targets. This work is supported by the CNRS program PACEN/GEDEPEON and the EURATOM programs EFNUDAT (European Facilities for Nuclear Data Measurements) contract no FP6-036434 and ANDES (Accurate Nuclear Data for nuclear Energy Sustainability) contract noFP7-249671. NR 13 TC 0 Z9 0 U1 0 U2 4 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2011 VL 17 AR 06005 DI 10.1051/epjconf/20111706005 PG 6 WC Physics, Nuclear SC Physics GA BAX19 UT WOS:000305937100029 ER PT S AU Drouart, A Amthor, AM Boutin, D Dechery, F Nolen, JA Savajols, H AF Drouart, A. Amthor, A. M. Boutin, D. Dechery, F. Nolen, J. A. Savajols, H. CA S3 Collaboration BE Schmitt, CH Navin, A Rejmund, M Lacroix, D Goutte, H TI Fusion-evaporation studies with the Super Separator spectrometer (S-3) at Spiral2 SO 5TH INTERNATIONAL CONFERENCE FUSION11 SE EPJ Web of Conferences LA English DT Proceedings Paper CT 5th International Conference on FUSION11 CY MAY 02-06, 2011 CL St Malo, FRANCE AB The Super Separator Spectrometer S-3 is a device designed for experiments with the very high intensity stable ion beam of the superconducting linear accelerator of the SPIRAL2 facility. Its Physics goals cover the study of radioactive ions produced by fusion-evaporation reactions, like superheavy elements or neutron deficient nuclei close to the proton drip line, but also neutron rich nuclei produced by multi-nucleon transfer reactions as well as ion-ion atomic interactions. It is composed of a two-step separator, with a momentum achromat followed by a mass spectrometer. Superconducting multipole triplets, combining quadruple, sextuple and octupole fields, allow a combination of high transmission and mass resolution. A specific open multipole has been designed to stop the high beam power at the first momentum dispersive plane. A decay spectroscopy detection set-up or a low energy branch can be coupled to S-3 for a wide range of studies. C1 [Drouart, A.; Dechery, F.] CEA Saclay, Irfu SPhN, F-91191 Gif Sur Yvette, France. [Amthor, A. M.; Boutin, D.; Savajols, H.] GANIL, Caen, France. Argonne Natl Lab, Argonne, IL USA. RP Drouart, A (reprint author), CEA Saclay, Irfu SPhN, F-91191 Gif Sur Yvette, France. NR 3 TC 3 Z9 3 U1 0 U2 2 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2011 VL 17 AR 14004 DI 10.1051/epjconf/20111714004 PG 4 WC Physics, Nuclear SC Physics GA BAX19 UT WOS:000305937100064 ER PT S AU Schultz, DR AF Schultz, David R. BE Bernotas, A Karazija, R Rudzikas, Z TI Heavy Particle Collision Data for Fusion and Astrophysics SO 7TH INTERNATIONAL CONFERENCE ON ATOMIC AND MOLECULAR DATA AND THEIR APPLICATIONS ICAMDATA-2010 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th International Conference on Atomic and Molecular Data and Their Applications - ICAMDATA-2010 CY SEP 21-24, 2010 CL Vilnius, LITHUANIA SP Lithuanian Acad Sci, Vilnius Univ, Res Council Lithuania, IOP Publishing, Intel, Vilnius Univ, Inst Theoret Phys & Astron DE Atomic collisions; Fusion energy; Astrophysics AB A wide range of applications, for example, diagnostics and modeling of fusion plasmas, interpretation of astronomical observations and modeling of astrophysical environments, and simulation of material processing plasmas, require large, accurate, and complete collections of data for electron, photon, heavy particle, and surface interactions. Consequently, over several decades, experimental and theoretical efforts have been developed in order to measure or to calculate such data, and to synergistically explore the fundamental physical mechanisms that underlie interactions at the atomic scale. The present report illustrates some of the recent progress in development of techniques and their use in describing heavy particle collisions, in particular, those involving ions interacting with atoms and simple molecules, with specific applications of the resulting data in fusion energy research and astrophysics. C1 Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Schultz, DR (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. EM schultzd@ornl.gov NR 9 TC 1 Z9 1 U1 1 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0900-2 J9 AIP CONF PROC PY 2011 VL 1344 BP 159 EP 167 DI 10.1063/1.3585815 PG 9 WC Physics, Applied; Physics, Atomic, Molecular & Chemical SC Physics GA BVL90 UT WOS:000291847500014 ER PT B AU Yoshino, H Hu, T Levine, M Jiang, Y Pietilainen, J Corgnati, S Ghiaus, C Andre, P van der Aa, A AF Yoshino, H. Hu, T. Levine, M. Jiang, Y. Pietilainen, J. Corgnati, S. Ghiaus, C. Andre, P. van der Aa, A. BE Zhang, X Li, Z Gao, N Zhou, X TI OVERVIEW OF IEA/ECBCS/ANNEX 53 "TOTAL ENERGY USE IN BUILDINGS - ANALYSIS AND EVALUATION METHODS-" SO 7TH INTERNATIONAL SYMPOSIUM ON HEATING, VENTILATING AND AIR CONDITIONING, PROCEEDINGS OF ISHVAC 2011, VOLS I-IV LA English DT Proceedings Paper CT 7TH International Symposium on Heating, Ventilating and Air Conditioning, ISHVAC 2011 CY NOV 06-09, 2011 CL Shanghai, PEOPLES R CHINA SP TONGJI UNIV, Tsinghua Univ, Univ Hong Kong DE Overview; IEA/ ECBCS/Annex 53; Subtasks; Present status AB One of the most significant barriers for achieving the goal of substantially improving energy efficiency of buildings is the lack of knowledge about the factors determining the real energy use. There is often a significant discrepancy between the designed and the real total energy use in buildings, in which a complex array of factors play a significant role, including the user/occupant behavior. The reasons for this discrepancy are generally poorly understood, and often have more to do with the role of human behavior than the building design. For that, the IEA/ECBCS/Annex entitled as "Total Energy use in Buildings -Analysis and evaluation methods-" was initiated in the November 2009 and started on first of January, 2010 as working phase. The ultimate outcome of this annex is to strengthen the robust prediction of energy usage in buildings, thus enabling the proper assessment of short- and long-term energy measures, policies, and technologies. This paper deals with Annex 53 research works, present status and expected outcomes. C1 [Yoshino, H.; Hu, T.] Tohoku Univ, Grad Sch Engn, Sendai, Miyagi 9808579, Japan. [Levine, M.] Lawrence Berkley Natl Lab, Berkeley, CA USA. [Jiang, Y.] Tsinghua Univ, Beijing, Peoples R China. [Pietilainen, J.] VTT Tech Res Ctr Finland, Espoo, Finland. [Corgnati, S.] Politecn Torino, Turin, Italy. [Ghiaus, C.] INSA Lyon, CETHIL, Lyon, France. [Andre, P.] Univ Liege, Liege, Belgium. [van der Aa, A.] Cauberg Huygen Consulting Engineers, Maastricht, Netherlands. RP Yoshino, H (reprint author), Tohoku Univ, Grad Sch Engn, Sendai, Miyagi 9808579, Japan. EM yoshino@sabine.pln.archi.tohoku.ac.jp FU IEA/ECBCS (International Energy Agency/Energy Conservation in Buildings and Community Systems) FX This search was supported by IEA/ECBCS (International Energy Agency/Energy Conservation in Buildings and Community Systems). Authors also would like to give many thanks to executive committee members of ECBCS and participants from different countries involved in this project. NR 1 TC 0 Z9 0 U1 0 U2 0 PU TONGJI UNIV PRESS PI SHANGHAI PA EDITORIAL BOARD 1239 SIPING RD, SHANGHAI, PEOPLES R CHINA BN 978-962-85138-0-2 PY 2011 BP 77 EP 82 PG 6 WC Construction & Building Technology SC Construction & Building Technology GA BH0EE UT WOS:000394721200013 ER PT B AU Chen, SQ Levine, MD Li, HY Yowargana, P AF Chen, S. Q. Levine, M. D. Li, H. Y. Yowargana, P. BE Zhang, X Li, Z Gao, N Zhou, X TI CHARACTERIZATION OF DISTRICT HEATING ENERGY USE OF A TYPICAL RESIDENTIAL BUILDING IN NORTH CHINA SO 7TH INTERNATIONAL SYMPOSIUM ON HEATING, VENTILATING AND AIR CONDITIONING, PROCEEDINGS OF ISHVAC 2011, VOLS I-IV LA English DT Proceedings Paper CT 7TH International Symposium on Heating, Ventilating and Air Conditioning, ISHVAC 2011 CY NOV 06-09, 2011 CL Shanghai, PEOPLES R CHINA SP TONGJI UNIV, Tsinghua Univ, Univ Hong Kong DE District heating energy use; Residential buildings; North China; Energy saving potential AB In order to effectively impel the energy efficiency retrofit of residential buildings in north China, it is very important to understand the characteristics of district heating energy use and its influence factors. A typical residential building was selected in Tangshan city, and the experiment was made to measure its district heating energy use and indoor temperature in the space heating period of 2009. Building air tightness performance was tested, and window opening of all the families was also monitored. The corrected index of heat loss of this building is 31.6w/m(2), much larger than the 50% energy saving target of 20.8w/m(2). Indoor average temperature can reach 20.09(omicron)C. Vertical temperature disorder is relatively obvious in this old single pipe vertical system. The air tightness performance is relatively good, while window opening during the daytime causes big energy waste in winter. By future analyzing energy saving potential, there exist several ways to reduce space heating energy use: (1) improve the poor thermal performance of envelope; (2) set the indoor temperature lower; (3) improve the hydraulic performance of heat supply pipe network; (4) effectively control the window opening and hence reduce the ventilation rate of window opening. C1 [Chen, S. Q.] Tongji Univ, Res Ctr Green Bldg & New Energy, Shanghai 200092, Peoples R China. [Levine, M. D.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Li, H. Y.] Hebei Polytech Univ, Coll Met & Energy, Tangshan 063009, Peoples R China. [Yowargana, P.] Azure Int Technol & Dev Beijing Ltd, Beijing 100027, Peoples R China. RP Chen, SQ (reprint author), Tongji Univ, Res Ctr Green Bldg & New Energy, Shanghai 200092, Peoples R China. EM hn_csq@126.com NR 8 TC 0 Z9 0 U1 0 U2 0 PU TONGJI UNIV PRESS PI SHANGHAI PA EDITORIAL BOARD 1239 SIPING RD, SHANGHAI, PEOPLES R CHINA BN 978-962-85138-0-2 PY 2011 BP 682 EP 688 PG 7 WC Construction & Building Technology SC Construction & Building Technology GA BH0EE UT WOS:000394721200109 ER PT J AU Poineau, F Sattelberger, AP Scott, BL Forster, P Weck, P Johnstone, E Czerwinski, KR AF Poineau, Frederic Sattelberger, Alfred P. Scott, Brian L. Forster, Paul Weck, Philippe Johnstone, Erik Czerwinski, Kenneth R. BE German, KE Myasoedov, BF Kodina, GE Maruk, AY Troshkina, ID TI TECHNETIUM HALIDES: FROM MOLECULAR TO EXTENDED STRUCTURES SO 7TH INTERNATIONAL SYMPOSIUM ON TECHNETIUM AND RHENIUM - SCIENCE AND UTILIZATION LA English DT Meeting Abstract CT 7th International Symposium on Technetium and Rhenium - Science and Utilization CY JUL 04-08, 2011 CL Moscow, RUSSIA SP RUSNANO, ISTC MHTU, PUROLITE, ROSATOM, Bruker, Diamed, APM Pharm, CEA, Univ Nevada Las Vegas, Amer Elements, Russian Acad Sci, IPCE RAS, MUCTR, ISTC, RFBR, ACADEMINVESTSERVICE, FMBC FMBA C1 [Poineau, Frederic; Forster, Paul; Weck, Philippe; Johnstone, Erik; Czerwinski, Kenneth R.] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. [Sattelberger, Alfred P.] Argonne Natl Lab, Energy Sci & Engn Directorate, Argonne, IL 60439 USA. [Scott, Brian L.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. EM poineauf@unlv.nevada.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU PUBLISHING GROUP GRANICA PI MOSCOW PA HIGHWAY HOROSHEVSKOE, BLDG 38, MOSCOW, 123007, RUSSIA BN 978-5-94691-473-4 PY 2011 MA 1.3 BP 28 EP 28 PG 1 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA BG9TB UT WOS:000393813200006 ER PT J AU Kerlin, WM Yordanova, T Poineau, F Forster, PM Sattelberger, AP Czerwinski, KR AF Kerlin, W. M. Yordanova, T. Poineau, F. Forster, P. M. Sattelberger, A. P. Czerwinski, K. R. BE German, KE Myasoedov, BF Kodina, GE Maruk, AY Troshkina, ID TI PREPARATION OF TECHNETIUM METAL-METAL BONDED ACETATE DIMERS VIA HYDROTHERMAL ROUTE SO 7TH INTERNATIONAL SYMPOSIUM ON TECHNETIUM AND RHENIUM - SCIENCE AND UTILIZATION LA English DT Meeting Abstract CT 7th International Symposium on Technetium and Rhenium - Science and Utilization CY JUL 04-08, 2011 CL Moscow, RUSSIA SP RUSNANO, ISTC MHTU, PUROLITE, ROSATOM, Bruker, Diamed, APM Pharm, CEA, Univ Nevada Las Vegas, Amer Elements, Russian Acad Sci, IPCE RAS, MUCTR, ISTC, RFBR, ACADEMINVESTSERVICE, FMBC FMBA C1 [Kerlin, W. M.; Poineau, F.; Forster, P. M.; Czerwinski, K. R.] Univ Nevada, Radiochem Program, Dept Chem, Las Vegas, NV 89154 USA. [Yordanova, T.] Ecole Polytech Fed Lausanne, Lab Computat Mol Design, CH-1015 Lausanne, Switzerland. [Sattelberger, A. P.] Argonne Natl Lab, Energy Engn & Syst Anal Directorate, Argonne, IL 60439 USA. FU Basic Energy Sciences, DOE [47824B] FX SISGR-Fundamental Chemistry of Technetium-99 Incorporated into Metal Oxide, Phosphate and Sulfide: Toward Stabilization of Low-Valent Technetium Contract No. 47824B Basic Energy Sciences, DOE NR 3 TC 0 Z9 0 U1 0 U2 0 PU PUBLISHING GROUP GRANICA PI MOSCOW PA HIGHWAY HOROSHEVSKOE, BLDG 38, MOSCOW, 123007, RUSSIA BN 978-5-94691-473-4 PY 2011 MA 1.12 BP 55 EP 55 PG 1 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA BG9TB UT WOS:000393813200014 ER PT J AU Johnstone, EV Poineau, F Weck, PF Kim, E Forester, PM Scott, B Hartmann, T Sattelberger, AP Czerwinski, KR AF Johnstone, E. V. Poineau, F. Weck, P. F. Kim, E. Forester, P. M. Scott, B. Hartmann, T. Sattelberger, A. P. Czerwinski, K. R. BE German, KE Myasoedov, BF Kodina, GE Maruk, AY Troshkina, ID TI SYNTHESIS AND CHARACTERIZATION OF LOW-VALENT BINARY TECHNETIUM CHLORIDES SO 7TH INTERNATIONAL SYMPOSIUM ON TECHNETIUM AND RHENIUM - SCIENCE AND UTILIZATION LA English DT Meeting Abstract CT 7th International Symposium on Technetium and Rhenium - Science and Utilization CY JUL 04-08, 2011 CL Moscow, RUSSIA SP RUSNANO, ISTC MHTU, PUROLITE, ROSATOM, Bruker, Diamed, APM Pharm, CEA, Univ Nevada Las Vegas, Amer Elements, Russian Acad Sci, IPCE RAS, MUCTR, ISTC, RFBR, ACADEMINVESTSERVICE, FMBC FMBA C1 [Johnstone, E. V.; Poineau, F.; Weck, P. F.; Forester, P. M.; Hartmann, T.; Czerwinski, K. R.] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. [Kim, E.] Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA. [Scott, B.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Sattelberger, A. P.] Argonne Natl Lab, Energy Engn & Syst Anal Directorate, Argonne, IL 60439 USA. FU Basic Energy Sciences, DOE [47824B] FX SISGR-Fundamental Chemistry of Technetium-99 Incorporated into Metal Oxide, Phosphate and Sulfide: Toward Stabilization of Low-Valent Technetium Contract No. 47824B Basic Energy Sciences, DOE NR 4 TC 0 Z9 0 U1 0 U2 0 PU PUBLISHING GROUP GRANICA PI MOSCOW PA HIGHWAY HOROSHEVSKOE, BLDG 38, MOSCOW, 123007, RUSSIA BN 978-5-94691-473-4 PY 2011 MA 1.14 BP 57 EP 57 PG 1 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA BG9TB UT WOS:000393813200016 ER PT J AU German, KE Maruk, AY Poineau, F Weck, P Kirakosyan, GA Tarasov, VP Czerwinski, K Sattelberger, A AF German, K. E. Maruk, A. Ya. Poineau, F. Weck, Ph. Kirakosyan, G. A. Tarasov, V. P. Czerwinski, K. Sattelberger, A. BE German, KE Myasoedov, BF Kodina, GE Maruk, AY Troshkina, ID TI TRANSFORMATION OF Tc(VII) IN ACIDS: TcO3(OH)(H2O)(2) and TcO3(H2O)(3)(+) in HClO4 AND POLYMERIC Tc(VII) SPECIES IN SOLIDS AND ACETONITRYLE SOLUTIONS SO 7TH INTERNATIONAL SYMPOSIUM ON TECHNETIUM AND RHENIUM - SCIENCE AND UTILIZATION LA English DT Meeting Abstract CT 7th International Symposium on Technetium and Rhenium - Science and Utilization CY JUL 04-08, 2011 CL Moscow, RUSSIA SP RUSNANO, ISTC MHTU, PUROLITE, ROSATOM, Bruker, Diamed, APM Pharm, CEA, Univ Nevada Las Vegas, Amer Elements, Russian Acad Sci, IPCE RAS, MUCTR, ISTC, RFBR, ACADEMINVESTSERVICE, FMBC FMBA C1 [German, K. E.; Maruk, A. Ya.; Kirakosyan, G. A.; Tarasov, V. P.] RAS, Frumkin Inst Phys Chem & Electrochem, Moscow, Russia. [Poineau, F.; Weck, Ph.; Czerwinski, K.] Univ Nevada, Las Vegas, NV 89154 USA. [Sattelberger, A.] Argonne Natl Lab, Energy Sci & Engn Directorate, Argonne, IL 60439 USA. NR 2 TC 0 Z9 0 U1 0 U2 0 PU PUBLISHING GROUP GRANICA PI MOSCOW PA HIGHWAY HOROSHEVSKOE, BLDG 38, MOSCOW, 123007, RUSSIA BN 978-5-94691-473-4 PY 2011 MA 1.P10 BP 99 EP 100 PG 2 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA BG9TB UT WOS:000393813200030 ER PT S AU Wongjamras, A Schlachter, AS Stolte, WC AF Wongjamras, Amphol Schlachter, Alfred S. Stolte, Wayne C. BE Yupapin, PP PivsaArt, S Ohgaki, H TI Progress of Soft-x-ray Absorption Endstation for Environmental Samples SO 9TH ECO-ENERGY AND MATERIALS SCIENCE AND ENGINEERING SYMPOSIUM SE Energy Procedia LA English DT Proceedings Paper CT 9th Eco-Energy and Materials Science and Engineering Symposium CY MAY 25-27, 2011 CL Chiang Rai, THAILAND DE soft-x-ray; x-ray absorption; liquid sample; environmental sample; ambient pressure ID SPECTROSCOPY AB A new endstation was developed at beamline 9.3.1 of the Advanced Light Source (ALS), Berkeley, CA, USA, to perform x-ray absorption experiments with soft x-rays on environmental samples such as liquid and hydroscopic solid samples at atmospheric pressure. The sample stage is separated from the vacuum of the beamline by a thin beryllium (Be) window which is 0.05 mm thick and 0.64 cm in diameter. A Si-photodiode is used to measure fluorescence from the sample. The experiments are conducted in an enclosure (mini-hutch) to protect users from x-ray radiation, to prevent ambient light from hitting the detector, and to allow running experiments with a background of another gas rather than air. Here we report on fluorescent-mode x-ray-absorption measurement at the chlorine K-edge of KCl and CCl3F in liquid and solid phases, illustrating the capabilities of the instrument and the technique. (C) 2011 Published by Elsevier Ltd. Selection and/or peer-review under responsibility of CEO of Sustainable Energy System, Rajamangala University of Technology Thanyaburi (RMUTT). C1 [Wongjamras, Amphol] Chiang Mai Univ, Dept Phys & Mat Sci, Chiang Mai 50200, Thailand. [Wongjamras, Amphol] Synchrotron Light Res Inst, Nakhon Ratchasima 30000, Thailand. [Schlachter, Alfred S.; Stolte, Wayne C.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Stolte, Wayne C.] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. RP Wongjamras, A (reprint author), Chiang Mai Univ, Dept Phys & Mat Sci, Chiang Mai 50200, Thailand. EM scphi009@chiangmai.ac.th FU Advanced Light Source, Berkeley, CA USA; Ph.D. Scholarship, Synchrotron Light Research Institute (SLRI) Thailand [GS-49-D02]; graduate school of Chiang Mai University and department of physics and materials science, Chiang Mai University, Thailand FX The authors would like to acknowledge the support from the Advanced Light Source, Berkeley, CA USA. A. Wongjamras was supported by Ph.D. Scholarship, Synchrotron Light Research Institute (SLRI) Thailand, with contract no.GS-49-D02, the graduate school of Chiang Mai University and department of physics and materials science, Chiang Mai University, Thailand. Author A. Wongjamras thanks C. Thongbai for her helpful comments and suggestions. NR 11 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1876-6102 J9 ENRGY PROCED PY 2011 VL 9 DI 10.1016/j.egypro.2011.09.007 PG 7 WC Energy & Fuels; Materials Science, Multidisciplinary SC Energy & Fuels; Materials Science GA BYG26 UT WOS:000298549900007 ER PT J AU Smith, DK Luther, JM Semonin, OE Nozik, AJ Beard, MC AF Smith, Danielle K. Luther, Joseph M. Semonin, Octavi E. Nozik, Arthur J. Beard, Matthew C. TI Tuning the Synthesis of Ternary Lead Chalcogenide Quantum Dots by Balancing Precursor Reactivity SO ACS NANO LA English DT Article DE alloys; nanoparticles; colloidal quantum dots; heterostructures; lead chalcogenides; ternary ID COLLOIDAL NANOCRYSTALS; EXTINCTION COEFFICIENT; ELECTRONIC-STRUCTURE; THIN-FILMS; PBSE; ALLOYS; SIZE; NANOPARTICLES AB We report the synthesis and characterization of composition-tunable ternary lead chalcogenide alloys PbSexTe1-x, PbsxTe(1-x), and PbSxSe1-x. This work explores the relative reaction rates of chalcogenide precursors to produce alloyed quantum dots (QDs), and we find the highly reactive bis(trimethylsilyl) (TMS2)-based precursors allow for the homogeneous incorporation of anions. By varying the Pb to oleic acid ratio, we demonstrate size control of similar composition alloys. We find the resulting QDs are Pb-rich but the Pb/anion ratio is size- and composition dependent in all alloyed QD as well as in PbSe, PbTe, and PbS QDs and is consistent with the reaction rates of the anion precursors. A more reactive anion precursor results in a lower Pb/anion ratio. C1 [Smith, Danielle K.; Luther, Joseph M.; Semonin, Octavi E.; Nozik, Arthur J.; Beard, Matthew C.] Natl Renewable Energy Lab, Ctr Adv Solar Photophys Chem & Mat Sci, Golden, CO 80401 USA. [Semonin, Octavi E.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Nozik, Arthur J.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. RP Smith, DK (reprint author), Natl Renewable Energy Lab, Ctr Adv Solar Photophys Chem & Mat Sci, Golden, CO 80401 USA. EM danielle.smith@nrel.gov; matt.beard@nrel.gov RI Nozik, Arthur/A-1481-2012; Nozik, Arthur/P-2641-2016; OI Semonin, Octavi Escala/0000-0002-4262-6955; BEARD, MATTHEW/0000-0002-2711-1355 FU Center for Advanced Solar Photophysics, an Energy Frontier Research Center funded by US Department of Energy, Office of Science, Office of Basic Energy Sciences; DOE [DE-AC36-08G028308] FX Financial support is provided by the Center for Advanced Solar Photophysics, an Energy Frontier Research Center funded by US Department of Energy, Office of Science, Office of Basic Energy Sciences. DOE funding was provided to NREL through contract DE-AC36-08G028308. We acknowledge the Biomass Surface Characterization Laboratory at NREL for use of their TEM. NR 42 TC 73 Z9 74 U1 5 U2 67 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 J9 ACS NANO JI ACS Nano PD JAN PY 2011 VL 5 IS 1 BP 183 EP 190 DI 10.1021/nn102878u PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 710CA UT WOS:000286487300024 PM 21141910 ER PT J AU Kim, TW Slowing, II Chung, PW Lin, VSY AF Kim, Tae-Wan Slowing, Igor I. Chung, Po-Wen Lin, Victor Shang-Yi TI Ordered Mesoporous Polymer-Silica Hybrid Nanoparticles as Vehicles for the Intracellular Controlled Release of Macromolecules SO ACS NANO LA English DT Article DE mesoporous polymer-silica composite; endocytosis; cellular uptake; drug delivery; mesostructured nanoparticles; controlled release ID DRUG-DELIVERY; SBA-15 SILICA; ADSORPTION; PARTICLES; ENDOCYTOSIS; MORPHOLOGY; ROUTE AB A two-dimensional hexagonal ordered mesoporous polymer-silica hybrid nanoparticle (PSN) material was synthesized by polymerization of acrylate monomers on the surface of SBA-15 mesoporous silica nanoparticles. The structure of the PSN material was analyzed Using a series of different techniques, Including transmission electron microscopy, powder X-ray. diffraction, and N(2) sorption analysis. These structurally ordered, mesoporous polymer-silica hybrid nanoparticles were used for the controlled release Of membrane impermeable macromolecules inside eukaryotic cells. The cellular uptake efficiency and biocompatibility of PSN with human cervical cancer cells (HeLa) were investigated : Our results show that the inhibitory, concentration (IC(50)) of PSN is very high (>100 mu g/mL per million cells), while the median effective concentration for the uptake (EC(50)) of PSN is low (EC(50) = 44 mu g/mL), indicating that PSNs are fairly biocompatible and easily up taken in vitro. A membrane impermeable macromolecule, 40 kDa FITC-Dextran, was loaded into the mesopores of PSNs at low pH: We demonstrated that the PSN material could indeed serve as a transmembrane carrier for the controlled release of FITC-Dextran at the pH level inside live HeLa cells. We believe that further developments of this PSN material will lead to a new generation of nanodevices for intracellular controlled delivery applications. C1 [Kim, Tae-Wan] Korea Res Inst Chem Technol, Green Chem Res Div, Taejon 305600, South Korea. [Slowing, Igor I.; Chung, Po-Wen; Lin, Victor Shang-Yi] Iowa State Univ, Dept Chem, US DOE, Ames Lab, Ames, IA 50011 USA. RP Kim, TW (reprint author), Korea Res Inst Chem Technol, Green Chem Res Div, POB 107,Sinseongro 19, Taejon 305600, South Korea. EM twkim@krict.re.kr RI Chung, Po-Wen/J-7476-2015; OI Slowing, Igor/0000-0002-9319-8639 FU U.S. DOE Ames Laboratory through the office of Basic Energy Sciences [DE-AC02-07CH11358] FX This study was supported by the U.S. DOE Ames Laboratory through the office of Basic Energy Sciences under Contract No. DE-AC02-07CH11358. The authors also thank BASF Co. for the donation of P104 triblock copolymer. We dedicate this work in memory of our esteemed colleague, Victor S.Y. Lin, deceased May 4, 2010. NR 35 TC 64 Z9 66 U1 6 U2 89 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 J9 ACS NANO JI ACS Nano PD JAN PY 2011 VL 5 IS 1 BP 360 EP 366 DI 10.1021/nn101740e PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 710CA UT WOS:000286487300046 PM 21162552 ER PT J AU Quek, SY Choi, HJ Louie, SG Neaton, JB AF Quek, Su Ying Choi, Hyoung Joon Louie, Steven G. Neaton, Jeffrey B. TI Thermopower of Amine - Gold-Linked, Aromatic Molecular Junctions from First Principles SO ACS NANO LA English DT Article DE molecular junctions; thermopower; first principles ID AB-INITIO; ELECTRON-TRANSPORT; CONDUCTANCE; DEPENDENCE; FORMALISM; ALIGNMENT AB Using a self energy corrected scattering state approach based on density functional theory (DFT), we explain recent measurements of the thermopower or the Seebeck coefficient S, for oligophenyldiamine-gold single molecule junctions and show that they are consistent with separate measurements of their electrical, conductance, G. Our calculations with self-energy corrections to the OFT electronic states in the junction predict low bias Sand 6 values in good quantitative agreement with experiments. We find S varies linearly with the number of Phenyls N, with a gradient beta(s) of 2.1 mu V/K, in excellent agreement with experiment In contrast OFT calculations without self energy corrections overestimate both S and beta(s) (with a DFT value for beta(s) three times too large). While beta(s) is found to be a robust quantity Independent of junction geometry, the computed values of S show significant sensitivity to the contact atomic structure-more so than the computed values of G. This observation is consistent with the experimentally measured spreads in S and G for amine-Au junctions: Taken together With previous computations of the electrical conductance (as reported in Quek, S.Y.; et al., Nano Lett. 2009, 9, 3949), our calculations of S conclusively demonstrate, for the first time, the consistency of two complementary yet distinct measurements of charge transport through single-molecule junctions and substantiate the hied for an accurate treatment of junction electronic level alignment to describe off-resonant tunneling in,these junctions. C1 [Quek, Su Ying; Louie, Steven G.; Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. [Choi, Hyoung Joon] Yonsei Univ, Dept Phys, Seoul 120749, South Korea. [Choi, Hyoung Joon] Yonsei Univ, IPAP, Seoul 120749, South Korea. [Louie, Steven G.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Louie, Steven G.; Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94702 USA. RP Neaton, JB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. EM jbneaton@lbl.gov RI Quek, Su Ying/I-2934-2014; Choi, Hyoung Joon/N-8933-2015; Neaton, Jeffrey/F-8578-2015 OI Choi, Hyoung Joon/0000-0001-8565-8597; Neaton, Jeffrey/0000-0001-7585-6135 FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy; Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering Division, U.S. Department of Energy [DE- AC02-05CH11231]; NRF of Korea [2009-0081204, R01-2007-000-20922-0] FX We thank J.A. Malen, P. Doak, K. Baheti, R.A. Segalman, A. Majumdar, and T.D. Tilley for stimulating discussions and for sharing their unpublished data with us. Portions of this work were performed at the Molecular Foundry, Lawrence Berkeley National Laboratory, and were supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy. This work was also supported in part by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering Division, U.S. Department of Energy under Contract No. DE- AC02-05CH11231. We acknowledge computational resources from NERSC. H.J.C. acknowledges support from NRF of Korea (Grant Nos. 2009-0081204 and R01-2007-000-20922-0). NR 33 TC 46 Z9 46 U1 2 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 J9 ACS NANO JI ACS Nano PD JAN PY 2011 VL 5 IS 1 BP 551 EP 557 DI 10.1021/nn102604g PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 710CA UT WOS:000286487300071 PM 21171633 ER PT J AU Liu, LJ Sham, TK Han, WQ Zhi, CY Bando, Y AF Liu, Lijia Sham, Tsun-Kong Han, Weiqiang Zhi, Chunyi Bando, Yoshio TI X-ray Excited Optical Luminescence from Hexagonal Boron Nitride Nanotubes: Electronic Structures and the Role of Oxygen Impurities SO ACS NANO LA English DT Article DE boron nitride nanotubes; X-ray absorption near-edge structures; X-ray excited optical luminescence; oxygen impurities ID ABSORPTION FINE-STRUCTURE; RADIATIVE TRANSITIONS; BN NANOTUBES; BAND-GAP; SPECTROSCOPY; PHOTOLUMINESCENCE; PRECURSOR AB We report a study on the optical luminescence properties and the electronic structures of boron nitride nanotubes (BNNTs). BNNTs with natural B (80% B-11 and 20% B-10) and pure B-10 are investigated in comparison with hexagonal BN crystals using X-ray absorption near-edge structures (XANES) and X-ray excited optical luminescence (XEOL). We find that the BNNT specimen synthesized with natural B contains more oxide impurities than that with pure B-10, resulting in significantly different behavior in optical luminescence. All BN samples with hexagonal structures are found to emit strong luminescence, but the emission spectra are strongly morphology- and structure dependent XEOL and XANES measurements were carried out at the B K-edge, N K-edge, and O K-edge in order to reveal the origin of different luminescence channels and the corresponding, electronic structures in these BN materials. C1 [Liu, Lijia; Sham, Tsun-Kong] Univ Western Ontario, Dept Chem, London, ON N6A 5B7, Canada. [Han, Weiqiang] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Zhi, Chunyi; Bando, Yoshio] Natl Inst Mat Sci, Int Ctr Mat Nanoarchitecton MANA, Tsukuba, Ibaraki 3050044, Japan. RP Sham, TK (reprint author), Univ Western Ontario, Dept Chem, London, ON N6A 5B7, Canada. EM tsham@uwo.ca RI zhi, chunyi/H-2604-2011; Han, WQ/E-2818-2013; OI ZHI, Chunyi/0000-0001-6766-5953 FU NSERC; CRC; CFI; OIT; NRC; CHIR; University of Saskatchewan; U.S. DOE [DE-AC02-98CH10886] FX Research at the University of Western Ontario is supported by NSERC, CRC, CFI, and OIT. The Canadian Light Source, where the synchrotron measurements were conducted, is supported by CFI, NSERC, NRC, CHIR, and the University of Saskatchewan. The authors would like to thank beamline scientists L Zuin, C. Ryan (VLS-PGM beamline), and T. Regier (SGM beamline) for their technical support at the Canadian Light Source. W.H. thanks the U.S. DOE, under contract DE-AC02-98CH10886, for its support. NR 32 TC 11 Z9 11 U1 9 U2 44 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JAN PY 2011 VL 5 IS 1 BP 631 EP 639 DI 10.1021/nn102881j PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 710CA UT WOS:000286487300081 PM 21182257 ER PT J AU Nellis, BA Satcher, JH Risbud, SH AF Nellis, Barbara A. Satcher, Joe H., Jr. Risbud, Subhash H. TI Phospholipid bilayer formation on a variety of nanoporous oxide and organic xerogel films SO ACTA BIOMATERIALIA LA English DT Article DE Lipid bilayer; Sol-gel; Surface energy; FRAP; AFM ID SUPPORTED LIPID-BILAYERS; SURFACE-CHARGE DENSITY; INDIUM-TIN-OXIDE; VESICLE ADSORPTION; COLLOIDAL CRYSTALS; MEMBRANES; SILICA; GLASS; MICROSCOPY; ALUMINA AB Lipid bilayers supported by nanoporous xerogel materials are being explored as models for cell membranes. In order to better understand and characterize the nature of the surface-bilayer interactions, several oxide and organic nanoporous xerogel films (alumina, titania, iron oxide, phloroglucinol-formaldehyde, resorcinol-formaldehyde and cellulose acetate) have been investigated as a scaffold for vesicle-fused 1,2-dioleoyl-glycero-3-phosphocholine (DOPC) lipid bilayer formation and mobility. The surface topography of the different substrates was analyzed using contact and tapping-mode atomic force microscopy and the surface energy of the substrates was determined using contact angle goniometry. Lipid bilayer formation has been observed with fluorescence microscopy and lateral lipid diffusion coefficients have been determined using fluorescence recovery after photobleaching. Titania xerogel films were found to be a robust and convenient support for formation of a two-phase DOPC/1,2-distearoyl-glycero-3-phosphocholine bilayer and domains were observed with this system. It was found that the cellulose acetate xerogel film support produced the slowest lipid lateral diffusion. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Nellis, Barbara A.; Risbud, Subhash H.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Satcher, Joe H., Jr.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. RP Risbud, SH (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. EM shrisbud@ucdavis.edu FU NSF-NIRT [CBET0506602]; Lawrence Livermore National Laboratory; US Department of Energy by Lawrence Livermore National Laboratory [W-7405-Eng-48, DE-AC52-07NA27344] FX We would like to thank Emel Goksu and Alex Gash for insightful discussions and help with experiments as well as our collaborator Marjorie Longo. We acknowledge funding by the NSF-NIRT Program (CBET0506602) and the Lawrence Livermore National Laboratory Scholar Program. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory in part under Contract W-7405-Eng-48 and in part under Contract DE-AC52-07NA27344. NR 63 TC 12 Z9 12 U1 5 U2 41 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1742-7061 J9 ACTA BIOMATER JI Acta Biomater. PD JAN PY 2011 VL 7 IS 1 BP 380 EP 386 DI 10.1016/j.actbio.2010.07.031 PG 7 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 687RJ UT WOS:000284795300036 PM 20674809 ER PT J AU Huang, L Cao, Z Meyer, HM Liaw, PK Garlea, E Dunlap, JR Zhang, T He, W AF Huang, L. Cao, Z. Meyer, H. M. Liaw, P. K. Garlea, E. Dunlap, J. R. Zhang, T. He, W. TI Responses of bone-forming cells on pre-immersed Zr-based bulk metallic glasses: Effects of composition and roughness SO ACTA BIOMATERIALIA LA English DT Article DE Bulk metallic glass; Biocompatibility; Pre-immersion; Surface roughness; Osteoblast ID OSTEOBLAST-LIKE CELLS; BIOMATERIAL SURFACES; PROTEIN ADSORPTION; AMORPHOUS-ALLOYS; TITANIUM-ALLOY; BEHAVIOR; CORROSION; CYTOTOXICITY; RESISTANCE; CHEMISTRY AB Bulk metallic glasses (BMGs) demonstrate attractive properties for potential biomedical applications, owing to their amorphous structure. The present work has investigated the biocompatibility of Zr-based BMGs by studying the cellular behavior of bone-forming mouse MC3T3-E1 pre-osteoblast cells. A Ti-6Al-4V alloy was used as a reference material. Pre-immersion treatment was performed on BMG samples in phosphate-buffered saline prior to cell experiments. The effects of 1 at.% yttrium alloying and surface roughness on cellular behavior were examined. The general biosafety of Zr-based BMGs for MC3T3-E1 cells was revealed as normal cell responses. Pre-immersion treatment was found to effectively reduce the surface concentrations of alloying elements. Micro-alloying with 1 at.% yttrium did not significantly affect cell adhesion and proliferation, but slightly decreased alkaline phosphatase (ALP) activity on rough surfaces. Lower cell adhesion and proliferation were found on smooth surfaces of Zr-based BMGs compared to their rougher counterparts. Higher ALP activity was detected on rougher surfaces. To obtain a mechanistic understanding surface free energy was correlated with cell adhesion. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Huang, L.; Zhang, T.] Beijing Univ Aeronaut & Astronaut, Sch Mat Sci & Engn, Beijing 100191, Peoples R China. [Huang, L.; Cao, Z.; Liaw, P. K.; Garlea, E.; He, W.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Meyer, H. M.] Oak Ridge Natl Lab, Microscopy Grp, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Dunlap, J. R.] Univ Tennessee, Div Biol Sci, Knoxville, TN 37996 USA. [He, W.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA. RP Zhang, T (reprint author), Beijing Univ Aeronaut & Astronaut, Sch Mat Sci & Engn, Beijing 100191, Peoples R China. EM zhangtao@buaa.edu.cn; whe5@utk.edu RI Huang, Lu/H-5325-2012; He, Wei/K-7218-2013; Huang, Lu/L-4643-2013; BAI, JIE/D-7448-2016; Zhang, Tao/O-4911-2014 OI Huang, Lu/0000-0001-8318-2687; Huang, Lu/0000-0001-8318-2687; FU National Science Foundation [DMR-0231320]; National Nature Science Foundation of China [50771005, 50631010]; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy FX The authors are grateful to Drs. Scott C. Lenaghan and David A. Gerard for their kind suggestions on SEM fixation procedures and Mr. Sameer Paital for his assistance in contact angle tests. This work was financially supported by the National Science Foundation International Materials Institutes Program (DMR-0231320) and National Nature Science Foundation of China (Grants Nos. 50771005 and 50631010). Research at the Oak Ridge National Laboratory SHaRE User Facility was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. NR 50 TC 57 Z9 60 U1 1 U2 50 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1742-7061 J9 ACTA BIOMATER JI Acta Biomater. PD JAN PY 2011 VL 7 IS 1 BP 395 EP 405 DI 10.1016/j.actbio.2010.08.002 PG 11 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 687RJ UT WOS:000284795300038 PM 20709197 ER PT J AU Liu, Q Zhang, Z Hendrickson, WA AF Liu, Qun Zhang, Zhen Hendrickson, Wayne A. TI Multi-crystal anomalous diffraction for low-resolution macromolecular phasing SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article DE anomalous scattering; MAD; multiple crystals; phase determination; SAD ID X-RAY-DIFFRACTION; RADIATION-DAMAGE; PROTEIN CRYSTALS; SYNCHROTRON-RADIATION; SCATTERING DATA; DATA QUALITY; SULFUR-SAD; CRYSTALLOGRAPHY; WAVELENGTH; SIGNAL AB Multiwavelength anomalous diffraction (MAD) and single-wavelength anomalous diffraction (SAD) are the two most commonly used methods for de novo determination of macromolecular structures. Both methods rely on the accurate extraction of anomalous signals; however, because of factors such as poor intrinsic order, radiation damage, inadequate anomalous scatterers, poor diffraction quality and other noise-causing factors, the anomalous signal from a single crystal is not always good enough for structure solution. In this study, procedures for extracting more accurate anomalous signals by merging data from multiple crystals are devised and tested. SAD phasing tests were made with a relatively large (1456 ordered residues) poorly diffracting (d (min) = 3.5 A) selenomethionyl protein (20 Se). It is quantified that the anomalous signal, success in substructure determination and accuracy of phases and electron-density maps all improve with an increase in the number of crystals used in merging. Structure solutions are possible when no single crystal can support structural analysis. It is proposed that such multi-crystal strategies may be broadly useful when only weak anomalous signals are available. C1 [Liu, Qun; Hendrickson, Wayne A.] Brookhaven Natl Lab, New York Struct Biol Ctr, Upton, NY 11973 USA. [Zhang, Zhen; Hendrickson, Wayne A.] Columbia Univ, Dept Biochem & Mol Biophys, New York, NY 10032 USA. [Hendrickson, Wayne A.] Columbia Univ, Dept Physiol & Cellular Biophys, New York, NY 10032 USA. RP Hendrickson, WA (reprint author), Brookhaven Natl Lab, New York Struct Biol Ctr, NSLS X4,Bldg 725, Upton, NY 11973 USA. EM wayne@convex.hhmi.columbia.edu RI Liu, Qun/A-8757-2011 OI Liu, Qun/0000-0002-1179-290X FU NIH [GM34102]; New York Structural Biology Center FX We thank John Schwanof and Randy Abramowitz for help with synchrotron data collection. This work was supported in part by NIH grant GM34102. Beamline X4A of the National Synchrotron Light Source (NSLS) at Brookhaven National Laboratory, a DOE facility, is supported by the New York Structural Biology Center. NR 56 TC 32 Z9 32 U1 1 U2 8 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD JAN PY 2011 VL 67 BP 45 EP 59 DI 10.1107/S0907444910046573 PN 1 PG 15 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 702XA UT WOS:000285928000006 PM 21206061 ER PT J AU Little, EJ Dunten, PW Bitinaite, J Horton, NC AF Little, Elizabeth J. Dunten, Pete W. Bitinaite, Jurate Horton, Nancy C. TI New clues in the allosteric activation of DNA cleavage by SgrAI: structures of SgrAI bound to cleaved primary-site DNA and uncleaved secondary-site DNA SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article DE SgrAI; DNA cleavage; restriction endonucleases ID DEGENERATE RECOGNITION SEQUENCES; RESTRICTION-ENDONUCLEASE; MOLECULAR REPLACEMENT; ECORV ENDONUCLEASE; CRYSTAL-STRUCTURE; KINETIC-ANALYSIS; COGNATE DNA; BINDING; MECHANISM; SPECIFICITY AB SgrAI is a type II restriction endonuclease that cuts an unusually long recognition sequence and exhibits allosteric self-activation with expansion of DNA-sequence specificity. The three-dimensional crystal structures of SgrAI bound to cleaved primary-site DNA and Mg2+ and bound to secondary-site DNA with either Mg2+ or Ca2+ are presented. All three structures show a conformation of enzyme and DNA similar to the previously determined dimeric structure of SgrAI bound to uncleaved primary-site DNA and Ca2+ [Dunten et al. (2008), Nucleic Acids Res. 36, 5405-5416], with the exception of the cleaved bond and a slight shifting of the DNA in the SgrAI/cleaved primary-site DNA/Mg2+ structure. In addition, a new metal ion binding site is located in one of the two active sites in this structure, which is consistent with proposals for the existence of a metal-ion site near the 3'-O leaving group. C1 [Little, Elizabeth J.; Horton, Nancy C.] Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA. [Dunten, Pete W.] Stanford Univ, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. [Bitinaite, Jurate] New England Biolabs Inc, Ipswich, MA 01938 USA. RP Horton, NC (reprint author), Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA. EM nhorton@u.arizona.edu RI Horton, Nancy/E-7881-2011 OI Horton, Nancy/0000-0003-2710-8284 FU NIH [5R01GM066805]; Department of Energy, Office of Biological and Environmental Research; National Institutes of Health, National Center for Research Resources; National Institute of General Medical Sciences FX This work was supported by NIH grant 5R01GM066805 (to NCH). Portions of this research were carried out at the Stanford Synchrotron Radiation Laboratory, a national user facility operated by Stanford University on behalf of the US Department of Energy, Office of Basic Energy Sciences. The SSRL Structural Molecular Biology Program is supported by the Department of Energy, Office of Biological and Environmental Research and by the National Institutes of Health, National Center for Research Resources, Biomedical Technology Program and the National Institute of General Medical Sciences. NR 36 TC 3 Z9 3 U1 1 U2 5 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD JAN PY 2011 VL 67 BP 67 EP 74 DI 10.1107/S0907444910047785 PN 1 PG 8 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 702XA UT WOS:000285928000008 PM 21206063 ER PT J AU Baniassadi, M Garmestani, H Li, DS Ahzi, S Khaleel, M Sun, X AF Baniassadi, M. Garmestani, H. Li, D. S. Ahzi, S. Khaleel, M. Sun, X. TI Three-phase solid oxide fuel cell anode microstructure realization using two-point correlation functions SO ACTA MATERIALIA LA English DT Article DE Solid oxide fuel cell; Heterogeneous media; 3 D microstructure reconstruction; Two point correlation functions; Cellular automata ID SPATIAL CORRELATION-FUNCTIONS; 2-PHASE RANDOM-MEDIA; POLYCRYSTALLINE MATERIALS; HETEROGENEOUS MATERIALS; PREDICTING PROPERTIES; PROBABILITY FUNCTIONS; DESIGN AB A Monte Carlo methodology has been developed as a means for three-dimensional (3-D) reconstruction of the microstructure of a three phase anode used in solid oxide fuel cells, based on two-point statistical functions The salient feature of the presented reconstruction methodology is the ability to realize the 3-D microstructure from two dimensional (2-D) scanning electron micrographs for a three phase medium extendable to n phase media In the realization procedure different phases of the heterogeneous medium are represented by different cells, which are allowed to grow The growth of cells however, is controlled via several optimization parameters related to rotation, shrinkage, translation distribution and growth rates of the cells Indeed the proposed realization algorithm can be categorized as a dynamic programming method and is so designed that any desired microstructure can be realized At first an initial 2-D image is recon structed, then the final optimization parameters are used as initial values in the initiation of the 3-D reconstruction algorithm This paper presents a novel hybrid stochastic methodology based on the colony and kinetic algorithms to simulate the virtual microstructure The simulation procedure involves repeated realizations, where each realization in turn consists of the nucleation and growth of cells For each of the subsequent realizations the controlling parameters are updated by minimization of an objective function (OF) at the end of the preceding realization The OF is defined based on two-point correlation functions derived from the simulated and real microstructures The kinetic growth algorithm is based on the cellular automata approach which facilitates the simulation procedure Comparison of the two point correlation functions from different sections of the final 3-D reconstructed microstructure with the initial real microstructure showed satisfactory agreement, which validates the proposed methodology (C) 2010 Acta Materialia Inc Published by Elsevier Ltd All rights reserved C1 [Garmestani, H.; Li, D. S.] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. [Baniassadi, M.; Ahzi, S.] Univ Strasbourg, IMES, F-67000 Strasbourg, France. [Khaleel, M.; Sun, X.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Garmestani, H (reprint author), Georgia Inst Technol, Sch Mat Sci & Engn, 771 Ferst Dr NW, Atlanta, GA 30332 USA. OI khaleel, mohammad/0000-0001-7048-0749 NR 39 TC 33 Z9 33 U1 0 U2 15 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD JAN PY 2011 VL 59 IS 1 BP 30 EP 43 DI 10.1016/j.actamat.2010.08.012 PG 14 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 687PA UT WOS:000284789200004 ER PT J AU Wang, J Hirth, JP Pond, RC Howe, JM AF Wang, J. Hirth, J. P. Pond, R. C. Howe, J. M. TI Rotational partitioning at two-phase interfaces SO ACTA MATERIALIA LA English DT Article DE Interface dislocations; Disconnections; Two phase interfaces; Grain rotation ID PHASE-TRANSFORMATIONS; MARTENSITIC TRANSFORMATIONS; EDGE DISLOCATION; MECHANISMS; ALLOY; DISCONNECTIONS; PRECIPITATE; BOUNDARIES; BICRYSTALS; STABILITY AB The partitioning of rotations is considered for two-phase interfaces In the isotropic, linear elastic approximation, the rotations associated with tilt components of interface dislocations and disconnections partition equally to the two phases With anisotropic elasticity and with nonlinearities, the partitioning is unequal Results for linear anisotropic elasticity, average anisotropic elasticity and nonlinear effects as incorporated in an atomistic simulation are compared The results also apply to most cases of single phase grain boundaries The results of the atomistic simulations are as predicted in the topological theory of phase transformation The results have implications for habit plane determination in phase transformations, for the relief of coherency stresses at Interfaces, and for boundary conditions in atomistic simulations Published by Elsevier Ltd on behalf of Acta Materialia Inc C1 [Wang, J.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Pond, R. C.] Univ Exeter, Coll Engn Math & Phys Sci, Exeter EX4 4QF, Devon, England. [Howe, J. M.] Univ Virginia, Dept Mat Sci & Engn, Charlottesville, VA 22904 USA. RP Wang, J (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RI Wang, Jian/F-2669-2012 OI Wang, Jian/0000-0001-5130-300X FU National Science Foundation [DMR-0554792]; US Department of Energy, Office of Basic Energy Sciences; Laboratory Directed Research and Development at LANL [LDRD-20090035DR] FX JMH gratefully acknowledges support for this research by the National Science Foundation under Grant DMR-0554792 J W gratefully acknowledges support for this research by the US Department of Energy, Office of Basic Energy Sciences, and the Laboratory Directed Research and Development at LANL (under Grant LDRD-20090035DR) NR 43 TC 23 Z9 23 U1 4 U2 29 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD JAN PY 2011 VL 59 IS 1 BP 241 EP 251 DI 10.1016/j.actamat.2010.09.028 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 687PA UT WOS:000284789200025 ER PT J AU Lee, SY Choo, H Liaw, PK An, K Hubbard, CR AF Lee, S. Y. Choo, H. Liaw, P. K. An, K. Hubbard, C. R. TI A study on fatigue crack growth behavior subjected to a single tensile overload: Part II. Transfer of stress concentration and its role in overload-induced transient crack growth SO ACTA MATERIALIA LA English DT Article DE Fatigue crack growth; Overload; Crack closure; Neutron diffraction; Crack-tip stress/strain ID X-RAY TOMOGRAPHY; NEUTRON-DIFFRACTION; CLOSURE; TIP AB The combined effects of overload-induced enlarged compressive residual stresses and crack tip blunting with secondary cracks are suggested to be responsible for the observed changes in the crack opening load and resultant post-overload transient crack growth behavior [Lee SY, Liaw PK, Choo H, Rogge RB, Acta Mater 2010;59:485-94]. In this article, in situ neutron diffraction experiments were performed to quantify the influence of the combined effects by investigating the internal-stress evolution at various locations away from the crack tip. In the overload-retardation period, stress concentration occurs in the crack blunting region (an overload point) until a maximum crack arrest load is reached. The stress concentration is then transferred from the blunting region to the propagating crack tip (following the overload), requiring a higher applied load, as the closed crack is gradually opened. The transfer phenomena of the stress concentration associated with a crack opening process account for the nonlinearity of strain response in the vicinity of the crack tip. The delaying action of stress concentration at the crack tip is understood in conjunction with the concept of a critical stress (i.e. the stress required to open the closed crack behind the crack tip). A linear relationship between Delta epsilon(eff) and Delta K-eff provides experimental support for the hypothesis that Delta K-eff can be considered as the fatigue crack tip driving force. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Lee, S. Y.; Choo, H.; Liaw, P. K.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [An, K.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. [An, K.; Hubbard, C. R.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Liaw, PK (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM pliaw@utk.edu RI Choo, Hahn/A-5494-2009; An, Ke/G-5226-2011 OI Choo, Hahn/0000-0002-8006-8907; An, Ke/0000-0002-6093-429X FU US National Science Foundation (NSF) [DMR-0231320, CMMI-0900271, DMR-0909037]; US Department of Energy, Office of Energy Efficiency and Renewable Energy FX This work was supported by the US National Science Foundation (NSF), under DMR-0231320, CMMI-0900271 and DMR-0909037, with Drs. C. Huber, D. Finotello, C.V. Cooper and A. Ardell as contract monitors. This research through the Oak Ridge National Laboratory's High Temperature Materials Laboratory User Program was sponsored by the US Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program. The authors would like to thank Dr. Klarstrom of Haynes International, Inc., for providing the test materials, and Mr. D. Fielden, Mr. W.B. Bailey and Dr. T.R. Watkins for their help during experiments. NR 18 TC 17 Z9 18 U1 2 U2 21 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD JAN PY 2011 VL 59 IS 2 BP 495 EP 502 DI 10.1016/j.actamat.2010.09.048 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 697AZ UT WOS:000285486300008 ER PT J AU Srirangam, P Kramer, MJ Shankar, S AF Srirangam, P. Kramer, M. J. Shankar, S. TI Effect of strontium on liquid structure of Al-Si hypoeutectic alloys using high-energy X-ray diffraction SO ACTA MATERIALIA LA English DT Article DE Liquid structure; Al-Si; Structure factor; Pair distribution function; Coordination number ID ALUMINUM-SILICON ALLOYS; EUTECTIC SOLIDIFICATION; NUCLEATION MECHANISM; THEORETICAL ASPECTS; RANGE ORDER; CU-SN; PHOSPHORUS; PHASES AB High-energy X-ray diffraction experiments were performed using a synchrotron beam source to investigate the effect of strontium on the liquid atomic structure of Al-Si hypoeutectic alloys. The high-temperature liquid diffraction experiments were carried out on Al alloys with 3, 7, 10 and 12.5 (eutectic) wt.% Si, respectively, with 0 and 0.04 wt.% addition of Sr to each of the alloys. Further, the diffraction data for all the alloys were obtained at various melt temperatures (5-220 K) above the respective liquidus temperature. It was observed that the addition of 0.04 wt.% Sr results in significant change in the liquid structure parameters, such as structure factor, pair distribution function, radial distribution function, coordination number and packing density, at any given melt temperature of the alloy. Salient observations were that, for any specific alloy and temperature, addition of Sr significantly decreases coordination number and packing density. Further, with the addition of Sr in the liquid alloy, the atomic coordination number and packing density increases with decreasing temperature and decreasing Si content of the alloy. The results coupled with prior knowledge have enabled an in-depth understanding of the nucleation environment of the solidifying phases, specifically the role of Sr in delaying the clustering tendencies (nucleation) of the eutectic Si phase. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Srirangam, P.; Shankar, S.] McMaster Univ, Dept Mech Engn, Light Met Casting Res Ctr, Hamilton, ON L8S 4L7, Canada. [Kramer, M. J.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Shankar, S (reprint author), McMaster Univ, Dept Mech Engn, Light Met Casting Res Ctr, Hamilton, ON L8S 4L7, Canada. EM shankar@mcmaster.ca FU U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering; U.S. Department of Energy by Iowa State University [DE-AC02-07CH11358]; US Department of Energy, Office of Science, and Basic Energy Sciences [DE-AC02-06CH11357]; General Motors Corporation FX This work was supported by the U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering. The research was performed at the Ames Laboratory. Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. High-energy X-ray work at the MUCAT sector of the APS was supported by the US Department of Energy, Office of Science, and Basic Energy Sciences under Contract No. DE-AC02-06CH11357. Special acknowledgements are extended to Dr Douglas Robinson, beam line scientist at Sector 6-ID-D, APS, Argonne, IL, USA, for his cooperation and support in performing the liquid diffraction experiments. The authors gratefully acknowledge the financial support of General Motors Corporation, specifically the contribution from Dr. Michael J. Walker and Dr. Carlton Fuerst. NR 44 TC 36 Z9 39 U1 2 U2 31 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD JAN PY 2011 VL 59 IS 2 BP 503 EP 513 DI 10.1016/j.actamat.2010.09.050 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 697AZ UT WOS:000285486300009 ER PT J AU Suh, C Gorrie, CW Perkins, JD Graf, PA Jones, WB AF Suh, C. Gorrie, C. W. Perkins, J. D. Graf, P. A. Jones, W. B. TI Strategy for the maximum extraction of information generated from combinatorial experimentation of Co-doped ZnO thin films SO ACTA MATERIALIA LA English DT Article DE Materials informatics; Data-mining; Structure-property relationship; TCO; ZnO ID PRINCIPAL COMPONENT ANALYSIS; TRANSPARENT CONDUCTING OXIDES; ROOM-TEMPERATURE FABRICATION; OXYGEN PARTIAL-PRESSURE; ELECTRICAL-CONDUCTION; LATENT PROJECTIONS; RESOLUTION; SPECTRA; STATE; SEMICONDUCTORS AB By expanding our level of understanding of structure-processing-property relationships through a data-mining methodology, this study demonstrates how to remove obstructions in complex high-throughput (HT) data analyses for developing new transparent conducting oxides. The demonstration is performed with principal component analysis (PCA) as an exploratory data analysis tool in the context of Co-doped ZnO (Co:ZnO) thin films generated from combinatorial HT syntheses. With the use of minimal available information, X-ray diffraction (XRD) patterns and their corresponding processing conditions, PCA enabled effective detection of pervasive changes in intensity and peak shifts as a function of composition, processing or a combination of both. These identifications are nearly impossible to detect via normal data interpretation methods. It was also possible to identify abnormal XRD patterns, unusual composition arrays (i.e. libraries), key chemistries in compositional arrays and critical peak occurrences. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Suh, C.; Perkins, J. D.; Graf, P. A.; Jones, W. B.] Natl Renewable Energy Lab, Golden, CO USA. [Gorrie, C. W.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. RP Suh, C (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO USA. EM changwon.suh@nrel.gov RI Suh, Changwon/N-1297-2014 FU US Department of Energy [DOE-AC36-08GO28308]; National Renewable Energy Laboratory FX This work was supported by the US Department of Energy under Contract No. DOE-AC36-08GO28308 with the National Renewable Energy Laboratory. NR 48 TC 3 Z9 3 U1 1 U2 19 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD JAN PY 2011 VL 59 IS 2 BP 630 EP 639 DI 10.1016/j.actamat.2010.09.068 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 697AZ UT WOS:000285486300022 ER PT J AU Georgarakis, K Louzguine-Luzgin, DV Antonowicz, J Vaughan, G Yavari, AR Egami, T Inoue, A AF Georgarakis, Konstantinos Louzguine-Luzgin, Dmitri V. Antonowicz, Jerzy Vaughan, Gavin Yavari, Alain R. Egami, Takeshi Inoue, Akihisa TI Variations in atomic structural features of a supercooled Pd-Ni-Cu-P glass forming liquid during in situ vitrification SO ACTA MATERIALIA LA English DT Article DE Solidification; Metallic glasses; Synchrotron radiation ID BULK METALLIC-GLASS; MEDIUM-RANGE ORDER; X-RAY-DIFFRACTION; AMORPHOUS-ALLOYS; FREE-VOLUME; ELASTIC PROPERTIES; LOCAL-STRUCTURE; TRANSITION; PACKING; ZR AB In situ vitrification in a synchrotron beam during cooling of a Pd42.5Cu30Ni7.5P20 melt allowed continuous acquisition of X-ray diffraction spectra in the supercooled liquid region between the liquidus temperature T-I and the glass transition temperature T-g for the first time in a metallic liquid alloy. These and subsequent acquisitions on reheating allowed determination of the structural changes in the supercooled and glassy states using the real space atomic pair distribution function PDF(R) and radial distribution function RDF(R). The nearest neighbor (NN) distance in the first coordination shell has a low R peak (pre-peak) that appears and increases on cooling from the liquidus temperature to the glass transition temperature in the supercooled liquid region. In this temperature range reversible expansion of the NN distances in the first coordination shell is observed. The slope of the expansion changes discontinuously at the glass transition. This behavior is explained by the theory of local topological fluctuations. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Georgarakis, Konstantinos; Louzguine-Luzgin, Dmitri V.; Yavari, Alain R.; Egami, Takeshi; Inoue, Akihisa] Tohoku Univ, WPI Adv Inst Mat Res, Aoba Ku, Sendai, Miyagi 9808577, Japan. [Georgarakis, Konstantinos; Yavari, Alain R.] Inst Polytech Grenoble, SIMAP CNRS, F-38402 St Martin Dheres, France. [Antonowicz, Jerzy] Warsaw Univ Technol, Fac Phys, PL-00662 Warsaw, Poland. [Vaughan, Gavin; Yavari, Alain R.] European Synchrotron Radiat Facil, F-38042 Grenoble, France. [Egami, Takeshi] Univ Tennessee, Dept Mat Sci & Engn, Joint Inst Neutron Sci, Knoxville, TN 37996 USA. [Egami, Takeshi] Univ Tennessee, Dept Phys & Astron, Joint Inst Neutron Sci, Knoxville, TN 37996 USA. [Egami, Takeshi] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Louzguine-Luzgin, DV (reprint author), Tohoku Univ, WPI Adv Inst Mat Res, Aoba Ku, Sendai, Miyagi 9808577, Japan. EM dml@wpi-aimr.tohoku.ac.jp RI yavari, alain/E-8192-2010; Inoue, Akihisa/E-5271-2015; Georgarakis, Konstantinos/K-1939-2015; Georgarakis, Konstantinos/E-6390-2010; LOUZGUINE, Dmitri/D-2492-2010; Antonowicz, Jerzy/G-5852-2012 OI Georgarakis, Konstantinos/0000-0003-0918-7310; LOUZGUINE, Dmitri/0000-0001-5716-4987; Antonowicz, Jerzy/0000-0002-7781-7540 FU European Network; French national ANR project; ESRF; Ministry of Education, Culture, Sports, Science and Technology, Japan [18070001]; Division of Materials Science and Engineering, Office of Basic Energy Science, US Department of Energy [DE-AC05-00OR-22725] FX Support from the European Network on bulk metallic glasses and a French national ANR project and an ESRF long-term project coordinated by A.R.Y. are gratefully acknowledged. This work was also supported in part by a grant-in-aid "Priority Area on Science and Technology of Microwave-Induced, Thermally Non-Equilibrium Reaction Field" (No. 18070001) from the Ministry of Education, Culture, Sports, Science and Technology, Japan. T.E. was partly supported by the Division of Materials Science and Engineering, Office of Basic Energy Science, US Department of Energy, through contract DE-AC05-00OR-22725. The authors offer their gratitude to Y. Waseda and S. Suzuki (Tohoku University) for providing the computer programs used for structural analysis. NR 58 TC 24 Z9 24 U1 1 U2 48 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD JAN PY 2011 VL 59 IS 2 BP 708 EP 716 DI 10.1016/j.actamat.2010.10.009 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 697AZ UT WOS:000285486300031 ER PT J AU Bansal, DG Streator, JL AF Bansal, Dinesh G. Streator, Jeffrey L. TI Voltage saturation in electrical contacts via viscoplastic creep SO ACTA MATERIALIA LA English DT Article DE Voltage saturation; Viscoplastic creep; Current cycling; Contact resistance; Electrical contacts ID INTERMEDIATE TEMPERATURES; METALS; ELECTROMIGRATION; DEFORMATION; MECHANISMS; CONDUCTION; BEHAVIOR; SOLIDS; COPPER; LINES AB Electrical contact resistance affects the performance of electrical switches and other current-carrying interfaces. This study investigates the behavior of electrical contact resistance for copper copper and aluminum aluminum sphere-on-flat contact as a function of current through the interface. It is observed that the contact resistance may either increase or decrease with increasing current, depending on the current level as well as the current history. At low current levels the voltage drop across the interface increases initially with increasing current until it saturates. The voltage level remains nearly constant even if the current is increased beyond the value corresponding to saturation. Hereafter any subsequent decrease in current yields a corresponding decrease in voltage, so that the associated current cycle shows substantial hysteresis. However, subsequent cycles of current are reversible so long as the voltage remains below the saturation point. Analyses of the results suggest that the mechanism of viscoplastic creep is responsible for the voltage saturation phenomenon. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Bansal, Dinesh G.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Streator, Jeffrey L.] Georgia Inst Technol, GW Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. RP Bansal, DG (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM bansaldg@ornl.gov RI Bansal, Dinesh/F-2255-2010 OI Bansal, Dinesh/0000-0001-8044-6341 FU University Research Initiative as Office of Naval Research [N00014-04-1-0601] FX This research was conducted at Georgia Institute of Technology, Atlanta, GA and was supported in part through the Department of Defense Multidisciplinary Research Program of the University Research Initiative as Office of Naval Research Grant N00014-04-1-0601, entitled "Friction & Wear under Very High Electromagnetic Stress." NR 36 TC 6 Z9 6 U1 1 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD JAN PY 2011 VL 59 IS 2 BP 726 EP 737 DI 10.1016/j.actamat.2010.10.011 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 697AZ UT WOS:000285486300033 ER PT J AU McLerran, L Praszalowicz, M AF McLerran, Larry Praszalowicz, Michal TI SATURATION AND SCALING OF MULTIPLICITY MEAN p(T) AND p(T) DISTRIBUTIONS FROM 200 GeV <= root s <= 7 TeV - ADDENDUM SO ACTA PHYSICA POLONICA B LA English DT Article ID CROSS-SECTION AB In the previous paper we have argued that the LHC data on multiplicity, average transverse momentum, and charged particle transverse momentum distributions are well described with minimal modeling in terms of a saturation scale Q(sat)(s). As a consequence, the p(T) spectra should exhibit geometric scaling. In this short note we show that recently released CMS data root s = 0.9, 2.36 and 7 TeV fall on a universal curve when plotted in terms of suitably defined scaling variable T. C1 [McLerran, Larry] Brookhaven Natl Lab, Upton, NY USA. [McLerran, Larry] Riken Brookhaven Ctr, Dept Phys, Upton, NY USA. [Praszalowicz, Michal] Jagiellonian Univ, M Smoluchowski Inst Phys, PL-30059 Krakow, Poland. RP McLerran, L (reprint author), Brookhaven Natl Lab, POB 5000, Upton, NY USA. RI Praszalowicz, Michal/F-1912-2016 FU DOE [DE-AC02-98CH10886]; Polish-German PAN-DFG FX The research of L. McLerran is supported under the DOE Contract No. DE-AC02-98CH10886. M. Praszalowicz acknowledges support of the Polish-German PAN-DFG grant. NR 11 TC 34 Z9 34 U1 0 U2 2 PU JAGIELLONIAN UNIV PRESS PI KRAKOW PA UL MICHALOWSKIEGO 9-2, KRAKOW, 31126, POLAND SN 0587-4254 EI 1509-5770 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD JAN PY 2011 VL 42 IS 1 BP 99 EP 103 DI 10.5506/APhysPolB.42.99 PG 5 WC Physics, Multidisciplinary SC Physics GA 722VG UT WOS:000287462500008 ER PT J AU Creutz, M AF Creutz, Michael TI CONFINEMENT, CHIRAL SYMMETRY, AND THE LATTICE SO ACTA PHYSICA SLOVACA LA English DT Article DE Lattice gauge theory; Chiral symmetry; Non-perturbative field theory; QCD ID GINSPARG-WILSON RELATION; EXACTLY MASSLESS QUARKS; ABELIAN GAUGE THEORIES; SINE-GORDON EQUATION; YANG-MILLS THEORY; LARGE-N-LIMIT; MONTE-CARLO; QUANTUM CHROMODYNAMICS; FIELD-THEORY; EFFECTIVE LAGRANGIANS AB Two crucial properties of QCD, confinement and chiral symmetry breaking, cannot be understood within the context of conventional Feynman perturbation theory. Non-perturbative phenomena enter the theory in a fundamental way at both the classical and quantum levels. Over the years a coherent qualitative picture of the interplay between chiral symmetry, quantum mechanical anomalies, and the lattice has emerged and is reviewed here. C1 [Creutz, Michael] Univ Maryland, Ctr Theoret Phys, College Pk, MD 20742 USA. RP Creutz, M (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM creutz@bnl.gov FU Stefano Capitani; Nobuyoshi Ohta; U.S. Department of Energy [DE-AC02-98CH10886] FX The author is grateful to Ivan Horvath for suggesting this article. He is also indebted to Ivan as well as to Stefano Capitani and Nobuyoshi Ohta for finding numerous typos in the original version. The Alexander von Humboldt Foundation provided valuable support for visits to the University of Mainz where a portion of this research was carried out. This manuscript has been authored by employees of Brookhaven Science Associates, LLC under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy. The publisher by accepting the manuscript for publication acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 180 TC 21 Z9 21 U1 1 U2 2 PU SLOVAK ACAD SCIENCES INST PHYSICS PI BRATISLAVA PA DUBRAVSKA CESTA 9, 842 28 BRATISLAVA, SLOVAKIA SN 0323-0465 EI 1336-040X J9 ACTA PHYS SLOVACA JI Acta Phys. Slovaca PY 2011 VL 61 IS 1 BP 1 EP 127 DI 10.2478/v10155-011-0001-y PG 127 WC Physics, Multidisciplinary SC Physics GA 784ZY UT WOS:000292198400001 ER PT J AU Chen, L Park, MS AF Chen, Lei Park, Min Sung TI A silence element involved in Kaposi's sarcoma-associated herpesvirus ORF11 gene expression SO ACTA VIROLOGICA LA English DT Letter DE Kaposi's sarcoma-associated herpesvirus; ORF11; Kaposi's sarcoma ID DNA-SEQUENCES; PROMOTER; CELLS; LYMPHOMAS; LATENCY C1 [Chen, Lei; Park, Min Sung] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Chen, L (reprint author), Los Alamos Natl Lab, Biosci Div, POB 1663, Los Alamos, NM 87545 USA. EM lchen@lanl.gov; park_min_s@lanl.gov NR 22 TC 0 Z9 0 U1 0 U2 1 PU AEPRESS SRO PI BRATISLAVA PA BAJZOVA 7, BRATISLAVA, 821 08, SLOVAKIA SN 0001-723X J9 ACTA VIROL JI Acta Virol. PY 2011 VL 55 IS 2 BP 179 EP 181 DI 10.4149/av_2011_02_179 PG 3 WC Virology SC Virology GA 838BQ UT WOS:000296261900014 PM 21692569 ER PT J AU Kakumanu, S Eidenbenz, S Sivakumar, R AF Kakumanu, Sandeep Eidenbenz, Stephan Sivakumar, Raghupathy TI Lattice routing: A 4D routing scheme for multiradio multichannel ad hoc networks SO AD HOC NETWORKS LA English DT Article DE Ad hoc network; Multiradio multichannel wireless network; Routing protocol AB An efficient channel assignment strategy ensures capacity maximization in a multiradio, multichannel ad hoc network. Existing mechanisms either use a static channel assignment or a centralized process intensive system that assigns channels to individual nodes. These are not effective in a dynamic environment with multiple flows that are active at different time instants. The protocol proposed in this work (Lattice routing) manages channels of the radios for the different nodes in the network using information about current channel conditions and adapts itself to varying traffic patterns in order to efficiently use the multiple channels. Further the protocol uses multipathing, a key mechanism that is found to alleviate bottlenecks present in single path routes in such an environment. Results indicate that Lattice routing consistently outperforms it closest competitor ((MCR) Kyasanur and Vaidya (2006) [1]) across a large number of experiments. (C) 2010 Elsevier B.V. All rights reserved. C1 [Kakumanu, Sandeep; Sivakumar, Raghupathy] Georgia Inst Technol, Atlanta, GA 30308 USA. [Eidenbenz, Stephan] Los Alamos Natl Lab, Informat Sci CCS 3, Los Alamos, NM 87545 USA. RP Kakumanu, S (reprint author), Georgia Inst Technol, 5174 Centergy 1, Atlanta, GA 30308 USA. EM ksandeep@ece.gatech.edu; eidenben@lanl.gov; siva@ece.gatech.edu OI Eidenbenz, Stephan/0000-0002-2628-1854 NR 21 TC 2 Z9 2 U1 1 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1570-8705 J9 AD HOC NETW JI Ad Hoc Netw. PD JAN PY 2011 VL 9 IS 1 BP 95 EP 107 DI 10.1016/j.adhoc.2010.06.007 PG 13 WC Computer Science, Information Systems; Telecommunications SC Computer Science; Telecommunications GA 654YE UT WOS:000282206400007 ER PT J AU Krank, M Stewart, SH O'Connor, R Woicik, PB Wall, AM Conrod, PJ AF Krank, Marvin Stewart, Sherry H. O'Connor, Roisin Woicik, Patricia B. Wall, Anne-Marie Conrod, Patricia J. TI Structural, concurrent, and predictive validity of the Substance Use Risk Profile Scale in early adolescence SO ADDICTIVE BEHAVIORS LA English DT Article DE Personality; Adolescence; Substance use; Substance problems; Development; Longitudinal; Prospective prediction ID ALCOHOL-USE DISORDERS; IMPULSIVE BEHAVIOR SCALE; ANXIETY SENSITIVITY; BINGE DRINKING; MARIJUANA USE; SENSATION SEEKING; YOUNG ADULTHOOD; FIT INDEXES; DRUG-USE; PERSONALITY AB A brief personality risk profile (23 items) the Substance Use Risk Profile Scale was tested for concurrent and predictive validity for substance use in 1139 adolescents (grades 8-10) from a mid-sized city in western Canada The SURPS was administered in two waves of a longitudinal study separated by 12 months (2003-04) As expected four subscales were supported by confirmatory factor and metric invariance analysis In regression analysis three subscales hopelessness impulsivity and sensation seeking were positively related to current and future use while one anxiety sensitivity was negatively related Findings suggest clinical utility for screening adolescents at risk for substance use (C) 2010 Elsevier Ltd All rights reserved C1 [Krank, Marvin] Univ British Columbia Okanagan, Dept Psychol, Kelowna, BC V1V 1V7, Canada. [Stewart, Sherry H.] Dalhousie Univ, Dept Psychiat, Halifax, NS, Canada. [Stewart, Sherry H.] Dalhousie Univ, Dept Psychol, Halifax, NS, Canada. [O'Connor, Roisin] Concordia Univ, Dept Psychol, Montreal, PQ H3G 1M8, Canada. [Woicik, Patricia B.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Wall, Anne-Marie] York Univ, Dept Psychol, Toronto, ON M3J 2R7, Canada. [Conrod, Patricia J.] Kings Coll London, Inst Psychiat, Dept Psychol Med, London WC2R 2LS, England. RP Krank, M (reprint author), Univ British Columbia Okanagan, Dept Psychol, 3333 Univ Way, Kelowna, BC V1V 1V7, Canada. RI Stewart, Sherry /F-4088-2011 FU Social Sciences and Humanities Research Council of Canada; Canadian Institutes of Health Research; The State University of New York at Stony Brook Research Foundation; National Health Research Development Program (NHRDP) Health Canada; Alcoholic Beverage Medical Research Foundation (ABMRF); Dalhousie University Faculty of Science FX This research was supported by a grant from the Social Sciences and Humanities Research Council of Canada and Canadian Institutes of Health Research awarded to the first and last authors Development of the Substance Use Risk Profile Scale (SURPS) was supported through grants to the second third and/or fourth authors from The State University of New York at Stony Brook Research Foundation the National Health Research Development Program (NHRDP) Health Canada and the Alcoholic Beverage Medical Research Foundation (ABMRF) The second author was supported through a Killam Research Professorship from the Dalhousie University Faculty of Science at the time of the study These funding agencies had no further role in study design in the collection analysis and interpretation of data in the writing of the report or in the decision to submit the paper for publication NR 77 TC 63 Z9 64 U1 3 U2 24 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0306-4603 J9 ADDICT BEHAV JI Addict. Behav. PD JAN-FEB PY 2011 VL 36 IS 1-2 BP 37 EP 46 DI 10.1016/j.addbeh.2010.08.010 PG 10 WC Psychology, Clinical; Substance Abuse SC Psychology; Substance Abuse GA 694VK UT WOS:000285326900006 PM 20826056 ER PT J AU Mahapatra, M Burkholder, L Calaza, F Stacchiola, D Tysoe, WT AF Mahapatra, Mausumi Burkholder, Luke Calaza, Florencia Stacchiola, Dario Tysoe, Wilfred T. TI An Infrared Spectroscopic and Temperature-programmed Desorption Study of 1,1-Difluoroethylene on Clean and Hydrogen-covered Pd(111) SO ADSORPTION SCIENCE & TECHNOLOGY LA English DT Article ID PALLADIUM-CATALYZED SYNTHESIS; SUM-FREQUENCY GENERATION; VINYL-ACETATE FORMATION; ETHYLENE HYDROGENATION; SELECTIVE HYDROGENATION; ETHYNE HYDROGENATION; IN-SITU; MECHANISM; ACETYLENE; KINETICS AB The surface chemistry of 1,1-difluoroethylene was studied on clean and hydrogen-covered Pd(111) using a combination of temperature-programmed desorption and reflection absorption infrared spectroscopy (RAIRS) to explore whether the larger infrared absorbance of 1,1-difluoroethylene than ethylene may be used to examine reactions under realistic catalytic conditions using RAIRS. It was found that the chemistry of 1,1-difluoroethylene on Pd(111) surfaces is similar to that of ethylene with bonding occurring in both the pi- and di-sigma-forms. However, due to the presence of C-F bonds in the molecule, the infrared absorbances for 1,1-difluoroethylene were much larger than those for ethylene. This provides the potential for using RAIRS for in situ studies of catalytic reactions that involve alkenes. C1 [Mahapatra, Mausumi; Burkholder, Luke; Tysoe, Wilfred T.] Univ Wisconsin, Dept Chem, Milwaukee, WI 53211 USA. [Mahapatra, Mausumi; Burkholder, Luke; Tysoe, Wilfred T.] Univ Wisconsin, Surface Studies Lab, Milwaukee, WI 53211 USA. [Stacchiola, Dario] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Calaza, Florencia] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Tysoe, WT (reprint author), Univ Wisconsin, Dept Chem, POB 413, Milwaukee, WI 53211 USA. EM wtt@uwm.edu RI Stacchiola, Dario/B-1918-2009 OI Stacchiola, Dario/0000-0001-5494-3205 FU US Department of Energy, Division of Chemical Sciences, Office of Basic Energy Sciences [DE-FG02-92ER14289, DE-AC02-98CH10886] FX We gratefully acknowledge support of this work by the US Department of Energy, Division of Chemical Sciences, Office of Basic Energy Sciences, under Grant No. DE-FG02-92ER14289 and Grant No. DE-AC02-98CH10886. NR 42 TC 0 Z9 0 U1 0 U2 12 PU MULTI-SCIENCE PUBL CO LTD PI BRENTWOOD PA 5 WATES WAY, BRENTWOOD CM15 9TB, ESSEX, ENGLAND SN 0263-6174 EI 2048-4038 J9 ADSORPT SCI TECHNOL JI Adsorpt. Sci. Technol. PY 2011 VL 29 IS 6 BP 595 EP 602 PG 8 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 861ZE UT WOS:000298058800007 ER PT J AU Calaza, F Tysoe, WT Stacchiola, DJ AF Calaza, Florencia Tysoe, Wilfred T. Stacchiola, Dario J. TI Stabilization of Carboxylate Surface Species on Pd(111) SO ADSORPTION SCIENCE & TECHNOLOGY LA English DT Article ID ABSORPTION INFRARED-SPECTROSCOPY; PALLADIUM-CATALYZED SYNTHESIS; ENERGY-ELECTRON DIFFRACTION; ETHYLIDYNE-COVERED PD(111); DENSITY-FUNCTIONAL THEORY; ACETIC-ACID; VINYL-ACETATE; CARBON-MONOXIDE; ADSORPTION; OXYGEN AB The stabilization of formate and acetate surface species on Pd(111) has been studied by temperature-programmed desorption and infrared reflection absorption spectroscopy (IRRAS). In addition to the previously reported stabilization of carboxylate species by the pre-adsorption of oxygen, an even bigger stabilizing effect was observed upon the adsorption of carbon monoxide onto formate- and acetate-covered surfaces. The presence of carbon monoxide delays the decomposition of carboxylate species by blocking surrounding sites. Proper use of co-adsorbed species could help to improve selectivity or activity in heterogeneous catalytic reactions. C1 [Stacchiola, Dario J.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Tysoe, Wilfred T.] Univ Wisconsin, Dept Chem & Biochem, Milwaukee, WI 53211 USA. [Tysoe, Wilfred T.] Univ Wisconsin, Surface Studies Lab, Milwaukee, WI 53211 USA. [Calaza, Florencia] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Stacchiola, DJ (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM djs@bnl.gov RI Stacchiola, Dario/B-1918-2009 OI Stacchiola, Dario/0000-0001-5494-3205 FU US Department of Energy (Chemical Sciences Division) [DE-AC02-98CH10886]; National Science Foundation [CHE0521328]; American Chemical Society FX The work carried out at Brookhaven National Laboratory was supported by the US Department of Energy (Chemical Sciences Division, DE-AC02-98CH10886). The work carried out at the University of Wisconsin Milwaukee was supported by the National Science Foundation under Grant No. CHE0521328. The authors also wish to thank the donors of the American Chemical Society Petroleum Research Fund for partial support of this research. NR 32 TC 4 Z9 4 U1 0 U2 11 PU MULTI-SCIENCE PUBL CO LTD PI BRENTWOOD PA 5 WATES WAY, BRENTWOOD CM15 9TB, ESSEX, ENGLAND SN 0263-6174 J9 ADSORPT SCI TECHNOL JI Adsorpt. Sci. Technol. PY 2011 VL 29 IS 6 BP 603 EP 611 PG 9 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 861ZE UT WOS:000298058800008 ER PT S AU Baba, JS Akl, TJ Cote, GL Wilson, MA Ericson, MN AF Baba, J. S. Akl, T. J. Cote, G. L. Wilson, M. A. Ericson, M. N. BE MahadevanJansen, A VoDinh, T Grundfest, WS TI Investigation of source-detector separation optimization for an implantable perfusion and oxygenation sensor for liver blood vessels SO ADVANCED BIOMEDICAL AND CLINICAL DIAGNOSTIC SYSTEMS IX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advanced Biomedical and Clinical Diagnostic Systems IX CY JAN 23-25, 2011 CL San Francisco, CA SP SPIE DE transplant/implantable monitoring; blood oxygenation probe spacing; SpO(2) measurement; perfusion sensing ID HEPATIC-ARTERY STENOSIS; MR CHOLANGIOPANCREATOGRAPHY; VASCULAR COMPLICATIONS; TRANSPLANTATION; DIAGNOSIS AB An implanted system is being developed to monitor transplanted liver health during the critical 7-10 day period post-transplantation. The unit will monitor organ perfusion and oxygen consumption using optically-based probes placed on both the inflow and outflow blood vessels, and on the liver parenchymal surface. Sensing probes are based on a 3-wavelength LED source and a photodiode detector. Sample diffuse reflectance is measured at 735, 805, and 940 nm. To ascertain optimal source-to-photodetector spacing for perfusion measurement in blood vessels, an ex vivo study was conducted. In this work, a dye mixture simulating 80% blood oxygen saturation was developed and perfused through excised porcine arteries while collecting data for various preset probe source-to-photodetector spacings. The results from this study demonstrate a decrease in the optical signal with decreasing LED drive current and a reduction in perfusion index signal with increasing probe spacing. They also reveal a 2- to 4-mm optimal range for blood vessel perfusion probe source-to-photodetector spacing that allows for sufficient perfusion signal modulation depth with maximized signal to noise ratio (SNR). These findings are currently being applied to guide electronic configuration and probe placement for in vivo liver perfusion porcine model studies. C1 [Baba, J. S.; Ericson, M. N.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Baba, JS (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RI Ericson, Milton/H-9880-2016 OI Ericson, Milton/0000-0002-6628-4865 NR 18 TC 0 Z9 0 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-427-7 J9 PROC SPIE PY 2011 VL 7890 AR 78900A DI 10.1117/12.875509 PG 6 WC Biophysics; Instruments & Instrumentation; Optics; Physics, Applied; Radiology, Nuclear Medicine & Medical Imaging SC Biophysics; Instruments & Instrumentation; Optics; Physics; Radiology, Nuclear Medicine & Medical Imaging GA BVO58 UT WOS:000292089400005 ER PT J AU Lany, S AF Lany, Stephan BE Alkauskas, A Deak, P Neugebauer, J Pasquarello, A VanDeWalle, CG TI Predicting Polaronic Defect States by Means of Generalized Koopmans Density Functional Calculations SO ADVANCED CALCULATIONS FOR DEFECTS IN MATERIALS: ELECTRONIC STRUCTURE METHODS LA English DT Article; Book Chapter ID GROUP-I ELEMENTS; P-TYPE ZNO; MAGNETIC-RESONANCE; ELECTRON-GAS; DERIVATIVE DISCONTINUITIES; CORRELATION-ENERGY; OPTICAL-PROPERTIES; GROUND-STATE; BAND-GAPS; EXCHANGE C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Lany, S (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. OI Lany, Stephan/0000-0002-8127-8885 NR 86 TC 1 Z9 1 U1 0 U2 1 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY BN 978-3-527-41024-8 PY 2011 BP 183 EP 199 D2 10.1002/9783527638529 PG 17 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA BA9TH UT WOS:000339836600011 ER PT J AU Wei, SH Yan, YF AF Wei, Su-Huai Yan, Yanfa BE Alkauskas, A Deak, P Neugebauer, J Pasquarello, A VanDeWalle, CG TI Overcoming Bipolar Doping Difficulty in Wide Gap Semiconductors SO ADVANCED CALCULATIONS FOR DEFECTS IN MATERIALS: ELECTRONIC STRUCTURE METHODS LA English DT Article; Book Chapter ID LIGHT-EMITTING DIODE; P-TYPE; II-VI; DIAMOND; ZNO; NITROGEN; IMPURITY; PLASMA C1 [Wei, Su-Huai; Yan, Yanfa] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Wei, SH (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. NR 46 TC 2 Z9 2 U1 0 U2 1 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY BN 978-3-527-41024-8 PY 2011 BP 213 EP 239 D2 10.1002/9783527638529 PG 27 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA BA9TH UT WOS:000339836600013 ER PT S AU Sun, JG AF Sun, J. G. BE Zhu, D Lin, HT Zhou, Y Widjaja, S Singh, D TI THERMAL IMAGING MEASUREMENT ACCURACY FOR THERMAL PROPERTIES OF THERMAL BARRIER COATINGS SO ADVANCED CERAMIC COATINGS AND MATERIALS FOR EXTREME ENVIRONMENTS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT Symposium on Advanced Ceramic Coatings for Structural, Environmental and Functional Applications / MAX Phases Symposium were held at the 35th International Conference on Advanced Ceramics and Composites (ICACC) CY JAN 23-28, 2011 CL Daytona Beach, FL SP Amer Ceram Soc (ACerS), Engn Ceram Div (ECD), Amer Ceram Soc (ACerS) AB Thermal barrier coatings (TBCs) are being extensively used for improving the performance and extending the life of combustor and gas turbine components. TBC thermal properties, thermal conductivity and heat capacity (the product of density and specific heat), are important parameters in those applications. These TBC properties are usually measured by destructive methods, involving separating the ceramic coating layer from the substrate and performing density, specific heat, and thermal diffusivity measurements. Nondestructive evaluation (NDE) methods, on the other hand, allow for direct TBC property measurement on natural TBC samples so they can be used for inspecting the quality of as-processed components as well as monitoring TBC degradation during service. For this purpose, a multilayer thermal-modeling NDE method has been developed which analyzes data obtained from one-sided pulsed thermal imaging to determine thermal conductivity and heat capacity distributions over the entire surface of a TBC specimen. The measurement accuracy can be affected by many factors from experimental and sample condition variations. These factors are discussed and evaluated in this study based on analytical and numerical simulation results for thermal imaging conditions. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Sun, JG (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 12 TC 5 Z9 5 U1 0 U2 2 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-118-17258-2 J9 CERAM ENG SCI PROC PY 2011 VL 32 BP 15 EP 22 PG 8 WC Materials Science, Ceramics SC Materials Science GA BFK95 UT WOS:000320328500003 ER PT J AU Ban, CM Li, Z Wu, ZC Kirkham, MJ Chen, L Jung, YS Payzant, EA Yan, YF Whittingham, MS Dillon, AC AF Ban, Chunmei Li, Zheng Wu, Zhuangchun Kirkham, Melanie J. Chen, Le Jung, Yoon Seok Payzant, E. Andrew Yan, Yanfa Whittingham, M. Stanley Dillon, Anne C. TI Extremely Durable High-Rate Capability of a LiNi0.4Mn0.4Co0.2O2 Cathode Enabled with Single-Walled Carbon Nanotubes SO ADVANCED ENERGY MATERIALS LA English DT Article ID LITHIUM-ION BATTERIES; ATOMIC LAYER DEPOSITION; ELECTROCHEMICAL-BEHAVIOR; STORAGE CHARACTERISTICS; COMPOSITE ELECTRODES; CELLS; 0-LESS-THAN-OR-EQUAL-TO-X-LESS-THAN-OR-EQUAL-TO-1/2; LI(NI1/3CO1/3MN1/3)O-2; INTERCALATION; PERFORMANCE C1 [Ban, Chunmei; Wu, Zhuangchun; Chen, Le; Jung, Yoon Seok; Yan, Yanfa; Dillon, Anne C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Li, Zheng; Whittingham, M. Stanley] SUNY Binghamton, Inst Mat Res, Binghamton, NY 13902 USA. [Kirkham, Melanie J.; Payzant, E. Andrew] Oak Ridge Natl Lab, High Temp Mat Lab, Oak Ridge, TN 37381 USA. RP Dillon, AC (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM anne.dillon@nrel.gov RI Payzant, Edward/B-5449-2009; Kirkham, Melanie/B-6147-2011; Li, Zheng/J-6766-2012; Jung, Yoon Seok/B-8512-2011; wu, zhuangchun/E-8046-2012 OI Payzant, Edward/0000-0002-3447-2060; Kirkham, Melanie/0000-0001-8411-9751; Li, Zheng/0000-0003-3472-6654; Jung, Yoon Seok/0000-0003-0357-9508; wu, zhuangchun/0000-0003-3362-0882 FU U.S. Department of Energy (DOE) at NREL [DE-AC36-08GO28308, DE-AC02-05CH11231]; Batteries for Advanced Transportation Technologies (BATT) Program at Binghamton [6807148]; U.S. Department of Energy, EERE FX The U.S. Department of Energy (DOE) under contract No. DE-AC36-08GO28308, DE-AC02-05CH11231, and the Batteries for Advanced Transportation Technologies (BATT) Program funded this work at NREL and at Binghamton, under contract No. 6807148. The in-situ XRD research during heating and cooling was done in the Oak Ridge National Laboratory's High Temperature Materials Laboratory User Program, which is sponsored by the U.S. Department of Energy, EERE, Vehicle Technologies Program. NR 34 TC 56 Z9 57 U1 6 U2 63 PU WILEY PERIODICALS, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN STREET, MALDEN, MA 02148-529 USA SN 1614-6832 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD JAN 1 PY 2011 VL 1 IS 1 BP 58 EP 62 DI 10.1002/aenm.201000001 PG 5 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA 778SE UT WOS:000291725000005 ER PT J AU Schwenn, PE Gui, K Nardes, AM Krueger, KB Lee, KH Mutkins, K Rubinstein-Dunlop, H Shaw, PE Kopidakis, N Burn, PL Meredith, P AF Schwenn, Paul E. Gui, K. Nardes, Alexandre M. Krueger, Karsten B. Lee, Kwan H. Mutkins, Karyn Rubinstein-Dunlop, Halina Shaw, Paul E. Kopidakis, Nikos Burn, Paul L. Meredith, Paul TI A Small Molecule Non-fullerene Electron Acceptor for Organic Solar Cells SO ADVANCED ENERGY MATERIALS LA English DT Article ID HETEROJUNCTION PHOTOVOLTAIC CELLS; OPEN-CIRCUIT VOLTAGE; CONJUGATED POLYMER; REGIOREGULAR POLY(3-HEXYLTHIOPHENE); CONVERSION EFFICIENCY; MORPHOLOGY; FILMS; POLYTHIOPHENE; DERIVATIVES; TRANSISTORS AB Organic bulk heterojunction photovoltaic devices predominantly use the fullerene derivatives [C60]PCBM and [C70]PCBM as the electron accepting component. This report presents a new organic electron accepting small molecule 2-[{7-(9,9-di-n-propyl-9H-fluoren-2-yl)benzo[c][1,2,5]thiadiazol-4-yl} methylene] malononitrile (K12) for organic solar cell applications. It can be processed by evaporation under vacuum or by solution processing to give amorphous thin films and can be annealed at a modest temperature to give films with much greater order and enhanced charge transport properties. The molecule can efficiently quench the photoluminescence of the donor polymer poly(3-n-hexylthiophene-2,5-diyl)(P3HT) and time resolved microwave conductivity measurements show that mobile charges are generated indicating that a truly charge separated state is formed. The power conversion efficiencies of the photovoltaic devices are found to depend strongly on the acceptor packing. Optimized K12: P3HT bulk heterojunction devices have efficiencies of 0.73 +/- 0.01% under AM1.5G simulated sunlight. The efficiencies of the devices are limited by the level of crystallinity and nanoscale morphology that was achievable in the blend with P3HT. C1 [Schwenn, Paul E.; Gui, K.; Krueger, Karsten B.; Lee, Kwan H.; Mutkins, Karyn; Shaw, Paul E.; Burn, Paul L.; Meredith, Paul] Univ Queensland, Ctr Organ Photon & Elect, Brisbane, Qld 4072, Australia. [Nardes, Alexandre M.; Kopidakis, Nikos] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Rubinstein-Dunlop, Halina] Univ Queensland, Sch Math & Phys, Brisbane, Qld 4072, Australia. RP Burn, PL (reprint author), Univ Queensland, Ctr Organ Photon & Elect, Brisbane, Qld 4072, Australia. EM p.burn2@uq.edu.au; meredith@physics.uq.edu.au RI Shaw, Paul/B-3718-2011; Schwenn, Paul/G-7230-2011; Lee, Kwan/A-1507-2011; Burn, Paul/F-5347-2010; Nardes, Alexandre/C-8556-2012; Meredith, Paul/E-6092-2013; Kopidakis, Nikos/N-4777-2015 OI Shaw, Paul/0000-0002-3326-3670; FU Australian Research Council [FF0668728, DP0879194]; University of Queensland (Strategic Initiative - Centre for Organic Photonics Electronics); Queensland Government; DIISR ISL International Consortium for Organic Solar Cells (ICOS) FX PM is a Queensland State Government Smart State Senior Fellow. PLB is recipient of an Australian Research Council Federation Fellowship (Project number FF0668728). We acknowledge funding from the Australian Research Council (DP0879194), the University of Queensland (Strategic Initiative - Centre for Organic Photonics & Electronics), the Queensland Government National and International Research Alliance Program (Queensland Organic Solar Cell Alliance (OSCA)) and the DIISR ISL International Consortium for Organic Solar Cells (ICOS). We also thank Dr. S. Watkins at The Commonwealth Science and Industrial Research Organisation (Clayton VIC) for PESA measurements. This work was performed in part at the Queensland node of the Australian National Fabrication Facility. A company established under the National Collaborative Research Infrastructure Strategy to provide nano and microfabrication facilities for Australia's researchers. NR 42 TC 99 Z9 100 U1 6 U2 117 PU WILEY PERIODICALS, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN STREET, MALDEN, MA 02148-529 USA SN 1614-6832 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD JAN 1 PY 2011 VL 1 IS 1 BP 73 EP 81 DI 10.1002/aenm.201000024 PG 9 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA 778SE UT WOS:000291725000008 ER PT S AU Nielson, GN Okandan, M Cruz-Campa, JL Resnick, PJ Wanlass, MW Clews, PJ Pluym, TC Sanchez, CA Gupta, VP AF Nielson, Gregory N. Okandan, Murat Cruz-Campa, Jose L. Resnick, Paul J. Wanlass, Mark W. Clews, Peggy J. Pluym, Tammy C. Sanchez, Carlos A. Gupta, Vipin P. BE Schoenfeld, WV Wang, JJ Loncar, M Suleski, TJ TI Microfabrication of microsystem-enabled photovoltaic (MEPV) cells SO ADVANCED FABRICATION TECHNOLOGIES FOR MICRO/NANO OPTICS AND PHOTONICS IV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advanced Fabrication Technologies for Micro/Nano Optics and Photonics IV CY JAN 25-26, 2011 CL San Francisco, CA SP SPIE DE Microsystems enabled photovoltaics; micro solar cells; miniature solar cells; fabrication AB Microsystem-Enabled Photovoltaic (MEPV) cells allow solar PV systems to take advantage of scaling benefits that occur as solar cells are reduced in size. We have developed MEPV cells that are 5 to 20 microns thick and down to 250 microns across. We have developed and demonstrated crystalline silicon (c-Si) cells with solar conversion efficiencies of 14.9%, and gallium arsenide (GaAs) cells with a conversion efficiency of 11.36%. In pursuing this work, we have identified over twenty scaling benefits that reduce PV system cost, improve performance, or allow new functionality. To create these cells, we have combined microfabrication techniques from various microsystem technologies. We have focused our development efforts on creating a process flow that uses standard equipment and standard wafer thicknesses, allows all high-temperature processing to be performed prior to release, and allows the remaining post-release wafer to be reprocessed and reused. The c-Si cell junctions are created using a backside point-contact PV cell process. The GaAs cells have an epitaxially grown junction. Despite the horizontal junction, these cells also are backside contacted. We provide recent developments and details for all steps of the process including junction creation, surface passivation, metallization, and release. C1 [Nielson, Gregory N.; Okandan, Murat; Cruz-Campa, Jose L.; Resnick, Paul J.; Clews, Peggy J.; Pluym, Tammy C.; Sanchez, Carlos A.; Gupta, Vipin P.] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Nielson, GN (reprint author), Sandia Natl Labs, 1515 Eubank Blvd SE, Albuquerque, NM 87123 USA. EM gnniels@sandia.gov NR 6 TC 5 Z9 5 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-464-2 J9 PROC SPIE PY 2011 VL 7927 AR 79270P DI 10.1117/12.876422 PG 12 WC Nanoscience & Nanotechnology; Optics SC Science & Technology - Other Topics; Optics GA BYC59 UT WOS:000297981400016 ER PT S AU Bale, HA Tamura, N Hanan, JC AF Bale, Hrishikesh A. Tamura, Nobumichi Hanan, Jay C. BE Narayan, R Colombo, P Widjaja, S Singh, D TI MICROBEAM X-RAY GRAIN AVERAGED RESIDUAL STRESS IN DENTAL CERAMICS SO ADVANCES IN BIOCERAMICS AND POROUS CERAMICS IV SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT Symposium on Porous Ceramics - Novel Developments and Applications / Symposium on Next Generation Bioceramics of the 35th International Conference and Exposition on Advanced Ceramics and Composites (ICACC) CY JAN 23-28, 2011 CL Daytona Beach, FL SP Amer Cerm Soc, Engn Ceram Div ID ZIRCONIA; MICROSTRUCTURE; STRENGTH; CROWNS AB Ceramic dental restorations consist of translucent porcelain and an underlying structural ceramic core. The maximum bite loads in service (<200 MPa, molars) are far below failure stresses. In spite of low stresses, ceramic dental restorations can undergo failures in their first year. Zirconia is widely accepted for cores due to toughness, compatibility, and aesthetics. Its tetragonal-to-monoclinic phase transformation produces compressive residual stresses in the vicinity of concentrated tensile stresses. For complex dental crown geometries, eliminating residual stresses is not trivial. Moreover, techniques interpreting internal stress states are lacking. Micro-diffraction using highly focused monochromatic X-ray beams provides residual stress. In addition, spatially resolved phase transformation maps in zirconia have been demonstrated. Stresses in the tetragonal phase were based on measured stress-free lattice parameters. In the neighborhood of transforming grains, tetragonal grains showed compressive residual stresses. Tensile residual stresses of 0.5 GPa in the core with monoclinic transformation were observed. This advances understanding of residual stresses and phase transformations in failure and reliability of dental restorations and related bio-ceramics. C1 [Bale, Hrishikesh A.; Hanan, Jay C.] Oklahoma State Univ, Stillwater, OK 74078 USA. [Tamura, Nobumichi] Adv Light Source, Berkeley, CA USA. RP Bale, HA (reprint author), Oklahoma State Univ, Stillwater, OK 74078 USA. FU Director, Office of Science, Office of Basic Energy Sciences, of the U. S. Department of Energy [DE- AC02- 05CH11231]; Oklahoma Center for the Advancement of Science and Technology ( OCAST) [HR07- 134] FX We gratefully acknowledge the assistance of several researchers at NYU Dental College for discussion and providing samples including Dr. P. Coelho, Dr. V. Thompson, Dr. E. D. Rekow, M. Cabrera; and also M. Kunz at the Advanced Light Source for assistance with the experimental setup. Use of the Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U. S. Department of Energy under Contract No. DE- AC02- 05CH11231. The research results discussed here were made possible in part by Oklahoma Health Research award ( project number HR07- 134), from the Oklahoma Center for the Advancement of Science and Technology ( OCAST). NR 25 TC 0 Z9 0 U1 0 U2 2 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-118-09526-3; 978-1-118-05991-3 J9 CERAM ENG SCI PROC PY 2011 VL 32 BP 49 EP 63 PG 15 WC Materials Science, Ceramics SC Materials Science GA BFF77 UT WOS:000319679100006 ER PT J AU Liu, WN Sun, X Khaleel, M AF Liu, Wenning Sun, Xin Khaleel, Moe BE Sikalidis, C TI Behavior of Aging, Micro-Void, and Self-Healing of Glass/Ceramic Materials and Its Effect on Mechanical Properties SO ADVANCES IN CERAMICS - CHARACTERIZATION, RAW MATERIALS, PROCESSING, PROPERTIES, DEGRADATION AND HEALING LA English DT Article; Book Chapter ID OXIDE FUEL-CELLS; GLASS-TRANSITION TEMPERATURE; SOFC; SEALS; DEGRADATION; COMPOSITES; DEFORMATION; PREDICTION; POLYMERS; BARIUM C1 [Liu, Wenning; Sun, Xin; Khaleel, Moe] Pacific Northwest Natl Lab, Richland, WA 99352 USA. RP Liu, WN (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA. NR 44 TC 0 Z9 0 U1 0 U2 0 PU INTECH EUROPE PI RIJEKA PA JANEZA TRDINE9, RIJEKA, 51000, CROATIA BN 978-953-307-504-4 PY 2011 BP 327 EP 350 D2 10.5772/933 PG 24 WC Materials Science, Ceramics SC Materials Science GA BG1OQ UT WOS:000386938500018 ER PT S AU Ali, Z Artemiev, NA Cummings, CL Domning, EE Kelez, N McKinney, WR Merthe, DJ Morrison, GY Smith, BV Yashchuk, VV AF Ali, Zulfiqar Artemiev, Nikolay A. Cummings, Curtis L. Domning, Edward E. Kelez, Nicholas McKinney, Wayne R. Merthe, Daniel J. Morrison, Gregory Y. Smith, Brian V. Yashchuk, Valeriy V. BE DelRio, MS Chubar, O TI Automated suppression of errors in LTP-II slope measurements with x-ray optics SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS II SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advances in Computational Methods for X-Ray Optics II CY AUG 21-24, 2011 CL San Diego, CA SP SPIE DE optical metrology; surface slope; long trace profiler; LTP; drift error; systematic error; optimal scanning; x-ray optics; deflectometry ID LONG TRACE PROFILER; ELECTRIC-DIPOLE MOMENT; PENCIL BEAM INTERFEROMETER; ACCURACY; SEARCH; DEVICE; SENSOR; LIMIT AB Systematic error and instrumental drift are the major limiting factors of sub-microradian slope metrology with state-of-the-art x-ray optics. Significant suppression of the errors can be achieved by using an optimal measurement strategy suggested in [Rev. Sci. Instrum. 80, 115101 (2009)]. Here, we report on development of an automated, kinematic, rotational system that provides fully controlled flipping, tilting, and shifting of a surface under test. The system is to be integrated into the Advanced Light Source long trace profiler, LTP-II, allowing for complete realization of the advantages of the optimal measurement strategy method. We describe in detail the system's specification, design operational control and data acquisition. The performance of the system is demonstrated via the results of high precision measurements with a number of super-polished mirrors. C1 [Ali, Zulfiqar; Artemiev, Nikolay A.; Cummings, Curtis L.; Domning, Edward E.; Kelez, Nicholas; McKinney, Wayne R.; Merthe, Daniel J.; Morrison, Gregory Y.; Smith, Brian V.; Yashchuk, Valeriy V.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Ali, Z (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM vvyashchuk@lbl.gov OI McKinney, Wayne/0000-0003-2586-3139 NR 50 TC 3 Z9 3 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-751-3 J9 PROC SPIE PY 2011 VL 8141 AR 81410O PG 15 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BXY62 UT WOS:000297631600021 ER PT S AU Bahrdt, J Flechsig, U Gerhardt, S Schneider, I AF Bahrdt, J. Flechsig, U. Gerhardt, S. Schneider, I. BE DelRio, MS Chubar, O TI PHASE, a Universal Software Package for the Propagation of Time-Dependent Coherent Light Pulses along Grazing Incidence Optics SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS II SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advances in Computational Methods for X-Ray Optics II CY AUG 21-24, 2011 CL San Diego, CA SP SPIE DE physical optics; propagation of coherent light ID SPACE TRANSFORMATION AB The software package PHASE includes routines for the propagation of coherent light within the stationary phase approximation (SPA). The code is based on a nonlinear analytic transformation of electric field arrays across longitudinally extended optical elements in normal and grazing-incidence geometries. Recently, the representation of the optical elements (OEs) has been extended to 8(th)-order polynomials in the OE-coordinates. Strongly curved mirror surfaces can be treated and systematic fabrication errors can be modeled up to 8(th) order. Each element is represented by an individual matrix and the combination of several elements is accomplished by simple matrix multiplications. The SPA-method can be interpreted as a thick lens approximation, whereas the Fourier Optics algorithm deals with thin lenses. Both methods have advantages and disadvantages. Recently, the PHASE package has been extended to Fourier Optics methods. The appropriate propagator or even a combination of different propagators can be selected from the same interface, which is running under IDL. This permits a one-by-one comparison of both methods via the same interface, which helps to evaluate the advantages and limitations of both methods. C1 [Bahrdt, J.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Bahrdt, J (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM johannes.bahrdt@helmholtz-berlin.de NR 12 TC 4 Z9 4 U1 0 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-751-3 J9 PROC SPIE PY 2011 VL 8141 AR 81410E PG 10 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BXY62 UT WOS:000297631600012 ER PT S AU Chubar, O Berman, L Chu, YS Fluerasu, A Hulbert, S Idir, M Kaznatcheev, K Shapiro, D Shen, Q Baltser, J AF Chubar, Oleg Berman, Lonny Chu, Yong S. Fluerasu, Andrei Hulbert, Steve Idir, Mourad Kaznatcheev, Konstantine Shapiro, David Shen, Qun Baltser, Jana BE DelRio, MS Chubar, O TI Development of Partially-Coherent Wavefront Propagation Simulation Methods for 3rd and 4th Generation Synchrotron Radiation Sources SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS II SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advances in Computational Methods for X-Ray Optics II CY AUG 21-24, 2011 CL San Diego, CA SP SPIE DE synchrotron radiation; wave optics; partial coherence ID INFRARED BEAMLINE; FACILITY SOLEIL; OPTICS; COMPUTATION; CODE; FEL AB Partially-coherent wavefront propagation calculations have proven to be feasible and very beneficial in the design of beamlines for 3rd and 4th generation Synchrotron Radiation (SR) sources. These types of calculations use the framework of classical electrodynamics for the description, on the same accuracy level, of the emission by relativistic electrons moving in magnetic fields of accelerators, and the propagation of the emitted radiation wavefronts through beamline optical elements. This enables accurate prediction of performance characteristics for beamlines exploiting high SR brightness and/or high spectral flux. Detailed analysis of radiation degree of coherence, offered by the partially-coherent wavefront propagation method, is of paramount importance for modern storage-ring based SR sources, which, thanks to extremely small sub-nanometer-level electron beam emittances, produce substantial portions of coherent flux in X-ray spectral range. We describe the general approach to partially-coherent SR wavefront propagation simulations and present examples of such simulations performed using "Synchrotron Radiation Workshop" (SRW) code for the parameters of hard X-ray undulator based beamlines at the National Synchrotron Light Source II (NSLS-II), Brookhaven National Laboratory. These examples illustrate general characteristics of partially-coherent undulator radiation beams in low-emittance SR sources, and demonstrate advantages of applying high-accuracy physical-optics simulations to the optimization and performance prediction of X-ray optical beamlines in these new sources. C1 [Chubar, Oleg; Berman, Lonny; Chu, Yong S.; Fluerasu, Andrei; Hulbert, Steve; Idir, Mourad; Kaznatcheev, Konstantine; Shapiro, David; Shen, Qun] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. RP Chubar, O (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. EM chubar@bnl.gov RI Chubar, Oleg/B-6286-2014 NR 26 TC 14 Z9 14 U1 0 U2 12 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-751-3 J9 PROC SPIE PY 2011 VL 8141 AR 814107 PG 10 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BXY62 UT WOS:000297631600005 ER PT S AU De Andrade, V Thieme, J Chubar, O Idir, M AF De Andrade, Vincent Thieme, Juergen Chubar, Oleg Idir, Mourad BE DelRio, MS Chubar, O TI Simulation and optimization of the NSLS-II SRX beamline combining ray-tracing and wavefront propagation SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS II SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advances in Computational Methods for X-Ray Optics II CY AUG 21-24, 2011 CL San Diego, CA SP SPIE DE SRX; NSLS II; spectroscopy; ray-tracing; shadow; wave optics; SRW; coherence AB The Sub-micron Resolution X-ray spectroscopy (SRX) beamline will benefit from the ultralow emittance of the National Synchrotron Light Source II to address a wide variety of scientific applications studying heterogeneous systems at the sub-micrometer scale. This work focuses on the KB branch (Delta E: 4.65-28 keV). Its main optical components include a horizontally focusing mirror forming an adjustable secondary source, a horizontally deflecting monochromator and two sets of Kirkpatrick-Baez mirrors as focusing optics of two distinct inline stations for operations requiring either high flux or high resolution. In the first approach, the beamline layout was optimized with ray-tracing calculations involving Shadowvui computer codes. As a result, the location and characteristics of optics were specified for achieving either the most intense or the smallest monochromatic beam possible on the target (10(13) ph/s or 10(12) ph/s respectively in a 500 nm or 65 nm focal spot). At the nanoprobe station, the diffraction limited focusing of X-rays is governed by the beam coherence. Hence, a classical geometric approach is not anymore adapted. To get reliable estimates of the Nanoprobe performances, a wavefront propagation study was performed using Synchrotron Radiation Workshop (SRW) code. At 7.2 keV, calculations show an intense (10(12) ph/s) 67 nm wide diffraction limited spot achieved with actual metrological data of mirrors. C1 [De Andrade, Vincent; Thieme, Juergen; Chubar, Oleg; Idir, Mourad] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. RP De Andrade, V (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. EM vdeandrade@bnl.gov RI Thieme, Juergen/D-6814-2013; Chubar, Oleg/B-6286-2014 NR 14 TC 4 Z9 4 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-751-3 J9 PROC SPIE PY 2011 VL 8141 AR 81410L PG 10 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BXY62 UT WOS:000297631600018 ER PT S AU Fluerasu, A Chubar, O Kaznatcheev, K Baltser, J Wiegart, L Evans-Lutterodt, K Carlucci-Dayton, M Berman, L AF Fluerasu, Andrei Chubar, Oleg Kaznatcheev, Konstantine Baltser, Jana Wiegart, Lutz Evans-Lutterodt, Kenneth Carlucci-Dayton, Mary Berman, Lonny BE DelRio, MS Chubar, O TI Analysis of the optical design of the NSLS-II Coherent Hard X-ray beamline SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS II SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advances in Computational Methods for X-Ray Optics II CY AUG 21-24, 2011 CL San Diego, CA SP SPIE DE x-ray beamline; wavefront propagation analysis; coherent scattering; transverse coherence; photon correlation spectroscopy ID PHOTON-CORRELATION AB Ultra-low emittance third-generation synchrotron radiation sources such as the NSLS-II offer excellent opportunities for the development of experimental techniques exploiting x-ray coherence. Coherent light scattered by a heterogeneous sample produces a speckle pattern characteristic for the specific arrangement of the scatterers. This may vary over time, and the resultant intensity fluctuations can be measured and analyzed to provide information about the sample dynamics. X-ray photon correlation spectroscopy (XPCS) extends the capability of dynamic light scattering to opaque and turbid samples and extends the measurements of time evolution to nanometer length scales. As a consequence XPCS became crucial in the study of dynamics in systems including, but not being limited to, colloids, polymers, complex fluids, surfaces and interfaces, phase ordering alloys, etc. In this paper we present the conceptual optical design and the theoretical performance of the Coherent Hard X-ray (CHX) beamline at NSLS-II, dedicated to XPCS and other coherent scattering techniques. For the optical design of this beamline, there is a tradeoff between the coherence needed to distinguish individual speckles and the phase acceptance (high intensity) required to measure fast dynamics with an adequate signal-to-noise level. As XPCS is a "photon hungry" technique, the beamline optimization requires maximizing the signal-to-noise ratio of the measured intensity-intensity autocorrelation function. The degree of coherence, as measured by a two-slit (Young) experiment, is used to characterize the speckle pattern visibilities. The beamline optimization strategy consists of maximization of the on-sample intensity while keeping the degree of coherence within the 0.1-0.5 range. The resulted design deviates substantially from an ad-hoc modification of a hard x-ray beamline for XPCS measurements. The CHX beamline will permit studies of complex systems and measurements of bulk dynamics down to the microsecond time scales. In general, the 10-fold increase in brightness of the NSLS-II, compared to other sources, will allow for measurements of dynamics on time-scales that are two orders of magnitude faster than what is currently possible. We also conclude that the common approximations used in evaluating the transverse coherence length would not be sufficiently accurate for the calculation of the coherent properties of an undulator-based beamline, and a thorough beamline optimization at a low-emittance source such as the NSLS-II requires a realistic wave-front propagation analysis. C1 [Fluerasu, Andrei; Chubar, Oleg; Kaznatcheev, Konstantine; Wiegart, Lutz; Evans-Lutterodt, Kenneth; Carlucci-Dayton, Mary; Berman, Lonny] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. RP Fluerasu, A (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. EM fluerasu@bnl.gov; chubar@bnl.gov RI Chubar, Oleg/B-6286-2014 NR 11 TC 5 Z9 5 U1 0 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-751-3 J9 PROC SPIE PY 2011 VL 8141 AR 81410J PG 7 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BXY62 UT WOS:000297631600016 ER PT S AU McKinney, WR Yashchuk, VV Goldberg, KA Howells, M Artemiev, NA Merthe, DJ Yuan, S AF McKinney, Wayne R. Yashchuk, Valeriy V. Goldberg, Kenneth A. Howells, Malcolm Artemiev, Nikolay A. Merthe, Daniel J. Yuan, Sheng BE DelRio, MS Chubar, O TI Design optimization of bendable x-ray mirrors SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS II SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advances in Computational Methods for X-Ray Optics II CY AUG 21-24, 2011 CL San Diego, CA SP SPIE DE bendable mirrors; x-rays; x-ray optics; optical metrology; long trace profiler; surface slope measurements; synchrotron radiation; synchrotron beamline; Kirkpatrick-Baez ID KB MIRROR AB Convenience and cost often lead to synchrotron beamlines where the final bendable Kirkpatrick-Baez focusing pair must relay the final image to different samples at different image distances e.g., [Proc. FEL2009, 246-249 (2009)] either for different experimental chambers, or diagnostics. We present an initial analytical approach, starting from, and extending the work of Howells et al. [OE 39(10), 2748-62 (2000)] to analyze the trade-offs between choice of mirror, bending couples and the given, shaped sagittal width of the optic. Both experimentally and in simulation, we have found that after an appropriate re-bending, sagittally shaped optics can perform with high quality at significantly different incidence angles and conjugate distances. We present one successful demonstration from the ALS Optical Metrology Beamline 5.3.1, and review some new closed form analytical solutions with a view towards understanding our results. C1 [McKinney, Wayne R.; Yashchuk, Valeriy V.; Goldberg, Kenneth A.; Howells, Malcolm; Artemiev, Nikolay A.; Merthe, Daniel J.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP McKinney, WR (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM wrmckinney@lbl.gov OI McKinney, Wayne/0000-0003-2586-3139 NR 23 TC 2 Z9 2 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-751-3 J9 PROC SPIE PY 2011 VL 8141 AR 81410K PG 14 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BXY62 UT WOS:000297631600017 ER PT S AU Pablant, NA Bitter, M Delgado-Aparicio, LF Hill, KW del Rio, MS AF Pablant, N. A. Bitter, M. Delgado-Aparicio, L. F. Hill, K. W. del Rio, M. Sanchez BE DelRio, MS Chubar, O TI X-ray imaging diagnostics for magnetically confined and laser-produced fusion plasmas SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS II SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advances in Computational Methods for X-Ray Optics II CY AUG 21-24, 2011 CL San Diego, CA SP SPIE DE Fusion; plasma; x-ray lines; curved crystal; imaging; spectroscopy ID CRYSTAL SPECTROMETER; DETECTOR; SPECTRA; ION AB Recent advances in x-ray detection technology and diagnostic design have dramatically improved the ability of using x-ray imaging and spectroscopic diagnostics to accurately measure important parameters in magnetically confined and laser produced fusion plasmas. With these advancements, the detailed characterization of the diagnostic system properties has become ever more important. We present an overview of current and future x-ray diagnostic requirements for fusion plasmas and describe, in particular, diagnostic systems employing spherically bent crystals to resolving characteristic x-ray lines from trace impurities with energies in the range 1-20keV. The requirements and challenges for the simulation of existing and planned diagnostic installations and are discussed. C1 [Pablant, N. A.; Bitter, M.; Delgado-Aparicio, L. F.; Hill, K. W.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Pablant, NA (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. NR 33 TC 0 Z9 0 U1 1 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-751-3 J9 PROC SPIE PY 2011 VL 8141 AR 81410U PG 11 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BXY62 UT WOS:000297631600027 ER PT S AU Shapiro, DA Chubar, O Kaznatcheev, K Reininger, R Sanchez-Hanke, C Wang, SY AF Shapiro, David A. Chubar, Oleg Kaznatcheev, Konstantine Reininger, Ruben Sanchez-Hanke, Cecilia Wang, Shengyu BE DelRio, MS Chubar, O TI Optimization of a coherent soft x-ray beamline for coherent scattering experiments at NSLS-II SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS II SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advances in Computational Methods for X-Ray Optics II CY AUG 21-24, 2011 CL San Diego, CA SP SPIE DE coherence; undulator; ptychography ID RADIATION; MICROSCOPY AB The coherent soft x-ray and full polarization control (CSX) beamline at the National Synchrotron Light Source - II (NSLS-II) will deliver 1013 coherent photons per second in the energy range of 0.2-2 keV with a resolving power of 2000. The source, a dual elliptically polarizing undulator (EPU), and beamline optics should be optimized to deliver the highest possible coherent flux in a 10-30 mu m spot for use in coherent scattering experiments. Using the computer code Synchrotron Radiation Workshop (SRW), we simulate the photon source and focusing optics in order to investigate the conditions which provide the highest usable coherent intensity on the sample.(1-3) In particular, we find that an intermediate phasing magnet is needed to correct for the relative phase between the two EPUs and that the optimum phase setting produces a spectrum in which the desired wavelength is slightly red-shifted thus requiring a larger aperture than originally anticipated. This setting is distinct from that which produces an on-axis spectrum similar to a single long undulator. Furthermore, partial coherence calculations, utilizing a multiple electron approach, indicate that a high degree of spatial coherence is still obtained at the sample location when such an aperture is used. The aperture size which maximizes the signal-to-noise ratio of a double-slit experiment is explored. This combination of high coherence and intensity is ideally suited for x-ray ptychography experiments which reconstruct the scattering density from micro-diffraction patterns. This technique is briefly reviewed and the effects on the image quality of proximity to the beamline focus are explored. C1 [Shapiro, David A.; Chubar, Oleg; Kaznatcheev, Konstantine; Reininger, Ruben; Sanchez-Hanke, Cecilia; Wang, Shengyu] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11793 USA. RP Shapiro, DA (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11793 USA. EM dshapiro@bnl.gov RI Chubar, Oleg/B-6286-2014 NR 11 TC 1 Z9 1 U1 1 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-751-3 J9 PROC SPIE PY 2011 VL 8141 AR 81410I PG 6 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BXY62 UT WOS:000297631600015 ER PT S AU Shi, XB AF Shi, Xianbo BE DelRio, MS Chubar, O TI Simulation of diffraction profiles for sagittally bent Laue crystals SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS II SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advances in Computational Methods for X-Ray Optics II CY AUG 21-24, 2011 CL San Diego, CA SP SPIE DE Laue crystal; sagittal bending; dynamical diffraction; multi-lamellar approximation; Penning-Polder method; Takagi-Taupin equations ID SYNCHROTRON X-RAYS; PERFECT CRYSTALS; REFLECTIVITY; PROPAGATION; MONOCHROMATORS; GEOMETRY; BRAGG AB The diffraction profiles (or rocking curves) of sagittally bent Laue crystals are known to be significantly wider than those of perfect crystals as a result of the lattice distortion introduced by the sagittal bending. The existing analytical model explains the rocking curve broadening as well as the reflectivity observed. Many theoretical methods were developed for calculating diffraction profiles of meridionally (in the diffraction plane) bent crystals. In this work, we extend these methods to accommodate sagittally bent crystals. The total lattice distortion angle for anisotropic crystals under sagittal bending is adapted into the multi-lamellar approximation using the rotating crystal method, in which the incident angle changes through each lamella. The Penning-Polder theory is examined for bent crystals with the uniform strain gradient. In addition, the Takagi-Taupin equations are solved numerically for sagittally bent Laue crystals. Finally, examples of these simulation results are presented and the merit of each method is discussed. C1 Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. RP Shi, XB (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. EM xshi@bnl.gov NR 23 TC 1 Z9 1 U1 1 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-751-3 J9 PROC SPIE PY 2011 VL 8141 AR 81410W PG 7 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BXY62 UT WOS:000297631600029 ER PT S AU Stetsko, YP Keister, JW Suvorov, A Coburn, DS Kodituwakku, CN Cunsolo, A Cai, YQ AF Stetsko, Yuri P. Keister, Jeffrey W. Suvorov, Alexey Coburn, D. Scott Kodituwakku, Chaminda N. Cunsolo, Alessandro Cai, Yong Q. BE DelRio, MS Chubar, O TI Dynamical modeling of high-energy-resolution x-ray optics SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS II SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advances in Computational Methods for X-Ray Optics II CY AUG 21-24, 2011 CL San Diego, CA SP SPIE DE x-ray optics; x-ray diffraction; high-energy-resolution; monochromators; analyzers; computer modeling ID DIFFRACTION AB Theoretical analysis of high-energy-resolution x-ray optics, such as backscattering(1-3) and four-bounce(4-5) monochromators and analyzers, has been carried out using computer modeling within the framework of the dynamical theory of x-ray diffraction. This analysis identifies several important techniques for the precise alignment and determination of the energy and bandwidth of the monochromators. The destructive contribution of multiple-wave diffraction to the scattering intensity of x-ray backscattering optics has also been analyzed in details. An important method has been identified which allows this destructive contribution to be avoided. C1 [Stetsko, Yuri P.; Keister, Jeffrey W.; Suvorov, Alexey; Coburn, D. Scott; Kodituwakku, Chaminda N.; Cunsolo, Alessandro; Cai, Yong Q.] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. RP Stetsko, YP (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. RI Cunsolo, Alessandro/C-7617-2013; Cai, Yong/C-5036-2008 OI Cai, Yong/0000-0002-9957-6426 NR 18 TC 1 Z9 1 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-751-3 J9 PROC SPIE PY 2011 VL 8141 AR 81410R PG 13 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BXY62 UT WOS:000297631600024 ER PT S AU Yashchuk, YV Yashchuk, VV AF Yashchuk, Yekaterina V. Yashchuk, Valeriy V. BE DelRio, MS Chubar, O TI Reliable before-fabrication forecasting of expected surface slope distributions for x-ray optics SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS II SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advances in Computational Methods for X-Ray Optics II CY AUG 21-24, 2011 CL San Diego, CA SP SPIE DE surface metrology; surface profilometer; auto-regressive moving average; ARMA models; power spectral density; calibration; fabrication tolerances; metrology of x-ray optics ID POWER SPECTRAL DENSITY; SYNCHROTRON-RADIATION; REFLECTIVE OPTICS; GENETIC ALGORITHM; ROUGH SURFACES; TIME-SERIES; INTERFEROMETRY; METROLOGY; MIRRORS; PROFILE AB Numerical simulation of the performance of new beamlines and those under upgrade requires sophisticated and reliable information about the expected surface slope and height distributions of planned x-ray optics before they are fabricated. Obtaining such information should be based on the metrology data measured from existing mirrors that are made by the same vendor and technology, but, generally, with different sizes, slope and height rms variations. In this work, we demonstrate a method for highly reliable forecasting of the expected surface slope distributions of the prospective x-ray optics. The method is based on an autoregressive moving average (ARMA) modeling of the slope measurements with a limited number of parameters. With the found parameters of the ARMA model, the surface slope profile of an optic with the newly desired specification can reliably be forecast. We demonstrate the high accuracy of this type of forecasting by comparing the power spectral density distributions of the measured and forecast slope profiles. C1 [Yashchuk, Yekaterina V.; Yashchuk, Valeriy V.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Yashchuk, YV (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM vvyashchuk@lbl.gov NR 100 TC 4 Z9 4 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-751-3 J9 PROC SPIE PY 2011 VL 8141 AR 81410N PG 15 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BXY62 UT WOS:000297631600020 ER PT B AU Wang, J Beyerlein, IJ Misra, A Valone, SM Germann, TC AF Wang, J. Beyerlein, I. J. Misra, A. Valone, S. M. Germann, T. C. BE Fan, JH Zhang, JQ Chen, HB Jin, ZH TI ATOMISTIC MODELING OF DISLOCATION-INTERFACE INTERACTIONS SO ADVANCES IN HETEROGENEOUS MATERIAL MECHANICS 2011 LA English DT Proceedings Paper CT 3rd International Conference on Heterogeneous Material Mechanics (ICHMM 2011) CY MAY 22-26, 2011 CL Shanghai Univ, Shanghai, PEOPLES R CHINA SP Natl Nat Sci Fdn China, Sci Technol Commiss Shanghai Municipal, Shanghai Univ HO Shanghai Univ DE interfaces; dislocations; interface shear; molecular dynamics AB Using atomic scale models and interface defect theory, we first classify interface structures into a few types with respect to geometrical factors, then study the interfacial shear response and further simulate the dislocation-interface interactions. The results show that the structural characteristics of both heterophases and homophases interfaces play a crucial role in (i) their mechanical responses and (ii) the ability of incoming lattice dislocations to transmit across them. C1 [Wang, J.; Beyerlein, I. J.; Valone, S. M.; Germann, T. C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Wang, J (reprint author), Los Alamos Natl Lab, MST-8, Los Alamos, NM 87545 USA. EM wangj6@lanl.gov RI Misra, Amit/H-1087-2012; Beyerlein, Irene/A-4676-2011; Wang, Jian/F-2669-2012 OI Wang, Jian/0000-0001-5130-300X NR 7 TC 3 Z9 3 U1 0 U2 3 PU DESTECH PUBLICATIONS, INC PI LANCASTER PA 439 DUKE STREET, LANCASTER, PA 17602-4967 USA BN 978-1-60595-054-9 PY 2011 BP 39 EP 46 PG 8 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BXZ82 UT WOS:000297713100006 ER PT B AU Wang, J Beyerlein, IJ Mara, N Misra, A Tome, CN AF Wang, J. Beyerlein, I. J. Mara, N. Misra, A. Tome, C. N. BE Fan, JH Zhang, JQ Chen, HB Jin, ZH TI DEFORMATION TWINNING MECHANISMS IN FCC AND HCP METALS SO ADVANCES IN HETEROGENEOUS MATERIAL MECHANICS 2011 LA English DT Proceedings Paper CT 3rd International Conference on Heterogeneous Material Mechanics (ICHMM 2011) CY MAY 22-26, 2011 CL Shanghai Univ, Shanghai, PEOPLES R CHINA SP Natl Nat Sci Fdn China, Sci Technol Commiss Shanghai Municipal, Shanghai Univ HO Shanghai Univ DE twinning; de-twinning; interfaces; fcc; hcp AB We report recent work on twinning and detwinning in fcc and hcp metals based on the in sin, and ex situ TEM observations and molecular dynamics simulations. Three aspects are discussed in this paper. (1) Detwinning in single-phase Cu with respect to growth twins, (2) deformation twinning in Ag-Cu composites, and (3) deformation twinning mechanisms in hcp metals. The main conclusion is that the atomic structures of interfaces (twin boundaries, two-phase interfaces, and grain boundaries) play a crucial role in nucleating and propagating deformation twins. C1 [Wang, J.; Beyerlein, I. J.; Tome, C. N.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Wang, J (reprint author), Los Alamos Natl Lab, MST-8, Los Alamos, NM 87545 USA. EM wangj6@lanl.gov RI Misra, Amit/H-1087-2012; Mara, Nathan/J-4509-2014; Wang, Jian/F-2669-2012 OI Wang, Jian/0000-0001-5130-300X NR 7 TC 1 Z9 1 U1 0 U2 8 PU DESTECH PUBLICATIONS, INC PI LANCASTER PA 439 DUKE STREET, LANCASTER, PA 17602-4967 USA BN 978-1-60595-054-9 PY 2011 BP 88 EP 91 PG 4 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BXZ82 UT WOS:000297713100016 ER PT B AU Mara, NA Ledonne, J Wynn, T Carpenter, J Wang, J Beyerlein, IJ AF Mara, N. A. Ledonne, J. Wynn, T. Carpenter, J. Wang, J. Beyerlein, I. J. BE Fan, JH Zhang, JQ Chen, HB Jin, ZH TI RESPONSE OF BULK CU-NB NANOLAMELLAR COMPOSITES TO SEVERE ROLLING STRAINS SO ADVANCES IN HETEROGENEOUS MATERIAL MECHANICS 2011 LA English DT Proceedings Paper CT 3rd International Conference on Heterogeneous Material Mechanics (ICHMM 2011) CY MAY 22-26, 2011 CL Shanghai Univ, Shanghai, PEOPLES R CHINA SP Natl Nat Sci Fdn China, Sci Technol Commiss Shanghai Municipal, Shanghai Univ HO Shanghai Univ DE nanomechanical behavior; nanocomposite; severe plastic deformation; nanolayered composite; rolling deformation C1 [Mara, N. A.; Wynn, T.; Carpenter, J.; Wang, J.; Beyerlein, I. J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Mara, NA (reprint author), Los Alamos Natl Lab, MS K771, Los Alamos, NM 87545 USA. EM namara@lanl.gov RI Mara, Nathan/J-4509-2014; Wang, Jian/F-2669-2012; OI Wang, Jian/0000-0001-5130-300X; Carpenter, John/0000-0001-8821-043X NR 5 TC 0 Z9 0 U1 1 U2 3 PU DESTECH PUBLICATIONS, INC PI LANCASTER PA 439 DUKE STREET, LANCASTER, PA 17602-4967 USA BN 978-1-60595-054-9 PY 2011 BP 158 EP 159 PG 2 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BXZ82 UT WOS:000297713100034 ER PT B AU Liu, XY Hoagland, RG Demkowicz, MJ Wang, J Nastasi, M Misra, A Hirth, JP AF Liu, X. Y. Hoagland, R. G. Demkowicz, M. J. Wang, J. Nastasi, M. Misra, A. Hirth, J. P. BE Fan, JH Zhang, JQ Chen, HB Jin, ZH TI UNDERSTANDING OF INTERFACE STRUCTURES, DEFECTS, AND MECHANICAL PROPERTIES AT GENERAL FCC-BCC INTERFACES USING "TUNABLE" POTENTIALS SO ADVANCES IN HETEROGENEOUS MATERIAL MECHANICS 2011 LA English DT Proceedings Paper CT 3rd International Conference on Heterogeneous Material Mechanics (ICHMM 2011) CY MAY 22-26, 2011 CL Shanghai Univ, Shanghai, PEOPLES R CHINA SP Natl Nat Sci Fdn China, Sci Technol Commiss Shanghai Municipal, Shanghai Univ HO Shanghai Univ DE Multilayer interfaces; misfit dislocations; defects; interface shear; interatomic potentials ID COMPOSITES C1 [Liu, X. Y.; Hoagland, R. G.; Wang, J.; Nastasi, M.; Misra, A.; Hirth, J. P.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Liu, XY (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM xyliu@lanl.gov RI Misra, Amit/H-1087-2012; Hoagland, Richard/G-9821-2012; Wang, Jian/F-2669-2012 OI Wang, Jian/0000-0001-5130-300X NR 10 TC 1 Z9 1 U1 0 U2 5 PU DESTECH PUBLICATIONS, INC PI LANCASTER PA 439 DUKE STREET, LANCASTER, PA 17602-4967 USA BN 978-1-60595-054-9 PY 2011 BP 326 EP 327 PG 2 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BXZ82 UT WOS:000297713100079 ER PT B AU Hsiung, LL AF Hsiung, Luke L. BE Fan, JH Zhang, JQ Chen, HB Jin, ZH TI ON THE MECHANISM OF ANOMALOUS SLIP IN BCC METALS SO ADVANCES IN HETEROGENEOUS MATERIAL MECHANICS 2011 LA English DT Proceedings Paper CT 3rd International Conference on Heterogeneous Material Mechanics (ICHMM 2011) CY MAY 22-26, 2011 CL Shanghai Univ, Shanghai, PEOPLES R CHINA SP Natl Nat Sci Fdn China, Sci Technol Commiss Shanghai Municipal, Shanghai Univ HO Shanghai Univ DE Single-slip orientation; anomalous slip; coplanar dislocation arrays AB Computer simulations and empirical studies of the core structure of single dislocation in bcc metals over the last few decades have made enormous contributions to interpret many abnormal mechanical behaviors of bcc metals: tension/compression stress asymmetry, high Peierls (friction) stress for the motion of screw dislocations, and strong strain-rate and temperature dependence of yield and flow stresses at low temperatures [1]. However, the single-dislocation core model remains inconclusive to elucidate a peculiar anomalous slip behavior of bcc metals, which occurs on planes for which the Schmid factors are fifth and sixth in the order of largest Schmid factors for the {110} < 111 > slip systems, and for which the resolved shear stress is less than half that on the ((1) over bar 01) [111] primary system. Note that the anomalous slip behavior is also known as the violation of Schmid's law, which states that plastic deformation of a single-crystal metals would begin on a slip system (a combination of the slip plane and the slip direction) when the resolved shear stress on the slip plane and in the slip direction reached a critical value (i.e., critical resolved shear stress). The resolved shear stress (tau) is given by tau = sigma cos phi cos lambda, where sigma is applied stress, phi is angle between the stress axis and the normal to the slip plane, and lambda is angle between the stress axis and the slip direction. The factor cos phi cos lambda is usually called the Schmid factor (m). Schmid's law in general is well obeyed by close-packed face-centered cubic (fcc) and hexagonal closed-packed (hcp) metals, which deform by slip in close-packed directions on planes that are close-packed planes. Body-centered cubic (bcc) metal is however not a close-packed structure, which deforms by slip in the most closely packed direction: < 111 > on a number of different planes belonging to the < 111 > zone such as {110} and {112} planes. Figure 1 shows an example of the operation of anomalous slip in a Mo single crystal oriented with the stress axis parallel to a nominal "single-slip" orientation of [(2) over bar 9 20], in which ((1) over bar 01) [111] is the primary slip system that has a maximum Schmid factor (m = 0.5) and requires the lowest stress to operate among the twelve {(1) over bar 10) < 111 > slip systems. TEM examination of the dislocation structure formed on the ((1) over bar 01) primary slip plane reveals that in addition to the ((1) over bar 01) [111] slip system, the coplanar ((1) over bar 01) [111] slip system which has a much smaller Schmid factor (m = 0.167) is also operative. Although numerous and intensive studies have been conducted for the last four decades since Duesbery first reported the occurrence of anomalous slip in Nb single crystals in 1967 [2], the governing mechanisms remain elusive. Results of numerous studies [3] have indicated that the anomalous slip in bcc metals in general occurs in ultrahigh-purity crystals with large sample sizes (> 3 mm) deformed at low temperatures; it accompanies a high work-hardening rate and fine and planar slip traces. This is in contract to a low work-hardening rate in association with coarse and wavy slip traces when the anomalous slip disappears at elevated temperatures. It is noteworthy that coarse and wavy slip traces appear when both {110} < 111 > and {112} < 111 > slip systems become operative. Progress has been made recently on obtaining crucial evidence to rationalize the anomalous slip behavior of bcc metals through careful TEM observations of dislocation substructures volved in the primary and anomalous slip planes of single-crystal Mo compressed at room temperature. Critical results are presented here to elucidate the underlying mechanism for the anomalous slip. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. C1 Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA. RP Hsiung, LL (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA. EM hsiung1@llnl.gov NR 3 TC 0 Z9 0 U1 0 U2 5 PU DESTECH PUBLICATIONS, INC PI LANCASTER PA 439 DUKE STREET, LANCASTER, PA 17602-4967 USA BN 978-1-60595-054-9 PY 2011 BP 330 EP 331 PG 2 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BXZ82 UT WOS:000297713100081 ER PT B AU Mayeur, JR McDowell, DL AF Mayeur, J. R. McDowell, D. L. BE Fan, JH Zhang, JQ Chen, HB Jin, ZH TI HETEROGENEOUS DEFORMATION OF POLYCRYSTALS SIMULATED WITH MICROPOLAR SINGLE CRYSTAL PLASTICITY SO ADVANCES IN HETEROGENEOUS MATERIAL MECHANICS 2011 LA English DT Proceedings Paper CT 3rd International Conference on Heterogeneous Material Mechanics (ICHMM 2011) CY MAY 22-26, 2011 CL Shanghai Univ, Shanghai, PEOPLES R CHINA SP Natl Nat Sci Fdn China, Sci Technol Commiss Shanghai Municipal, Shanghai Univ HO Shanghai Univ DE nonlocal; crystal viscoplasticity; polycrystal; scaling relations AB The influence of grain size on the flow stress of small scale statistical volume elements (SVEs) is investigated using micropolar single crystal plasticity. In a micropolar single crystal, the presence of couple stresses work-conjugate to the lattice torsion-curvature leads to a non-symmetric Cauchy stress that when resolved on a given slip system gives rise to kinematic hardening during heterogeneous deformation. The scale-dependent response of the micropolar single crystal is dictated by both energetic (higher-order elastic constants) and dissipative (plastic lattice torsion-curvature) constitutive length scales. In this work, we investigate how variations in these constitutive length scale parameters affect the scaling behavior of the macroscopic (ensemble average) flow stress. C1 [Mayeur, J. R.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Mayeur, JR (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM david.mcdowell@me.gatech.edu RI Mayeur, Jason/B-2828-2009 NR 5 TC 1 Z9 1 U1 0 U2 0 PU DESTECH PUBLICATIONS, INC PI LANCASTER PA 439 DUKE STREET, LANCASTER, PA 17602-4967 USA BN 978-1-60595-054-9 PY 2011 BP 381 EP 384 PG 4 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BXZ82 UT WOS:000297713100094 ER PT B AU Sabau, AS Shingledecker, JP Wright, IG AF Sabau, Adrian S. Shingledecker, John P. Wright, Ian G. BE Gandy, D Shingledecker, J Viswanathan, R TI Steam-Side Oxide Scale Exfoliation Behavior in Superheaters and Reheaters: Differences in the Behavior of Alloys T22, T91 and TP347 Based on Computer Simulation Results SO ADVANCES IN MATERIALS TECHNOLOGY FOR FOSSIL POWER PLANTS: PROCEEDINGS FROM THE SIXTH INTERNATIONAL CONFERENCE, 2010 LA English DT Proceedings Paper CT 6th International Conference on Advances in Materials Technology for Fossil Power Plants CY AUG 31-SEP 03, 2010 CL Sante Fe, NM SP Elect Power Res Inst, ASM Mat Informat Soc, Energy Ind Ohio, Natl Energy Technol Lab, Ohio Air Qual Dev Author, Ohio Coal Dev Off ID HIGH-TEMPERATURE STEAM; OXIDATION; STEELS; STRAIN; TUBES AB Advances in materials for power plants include not only new materials with higher-temperature capabilities, but also the use of current materials at increasingly higher temperatures. This latter activity builds on extensive experience of the performance of the various alloys, and provides a basis for identifying changes in alloy behavior with increasing temperature as well as understanding the factors that ultimately determine the maximum use temperatures of the different alloy classes. This paper presents results from an effort to model the exfoliation processes of steam-side oxide scales in a manner that describes as accurately as possible the evolution of strains in oxides growing inside small-diameter tubes subjected to large thermal gradients and to thermal transients typical of normal steam boiler operation. One way of portraying the results of such calculations is by plotting the evolving strains in a given oxide scale on an 'Exfoliation Diagram' (of the type pioneered by Manning et al. of the British Central Electricity Research Laboratory) to determine the earliest time at which the trajectory of these strains intersects a criterion for scale failure. Understanding of how such 'strain trajectories' differ among different alloys and are affected by the major variables associated with boiler operation has the potential to suggest boiler operating strategies to manage scale exfoliation, as well as to highlight the mode of scale failure and the limitations of each alloy. Preliminary results are presented of the strain trajectories calculated for alloys T22, T91, and TP347 subjected to the conditions experienced by superheaters under assumed boiler operating scenarios. For all three alloys the earliest predicted scale failures were associated with the increased strains developed during a boiler shut-down event; indeed, in the cases considered it appeared unlikely that scale failure would occur in any practically meaningful time due to strains accumulated during operation in a load-following mode in the absence of a shut down. The accuracy of the algorithms used for the kinetics of oxide growth appeared to be a very important consideration, especially for alloy TP347 for which large effects on oxide growth rate are known to occur with changes in alloy grain size and surface cold work. C1 [Sabau, Adrian S.; Wright, Ian G.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37830 USA. [Shingledecker, John P.] Elect Power Res Inst, Charlotte, NC USA. RP Sabau, AS (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37830 USA. OI Sabau, Adrian/0000-0003-3088-6474 FU Electric Power Research Institute under a Work for MOO program [EP-P18842/C9306]; U.S. Department of Energy, Office of Fossil Energy FX This research was sponsored by the Electric Power Research Institute under a Work for MOO program (agreement No. EP-P18842/C9306) with the U.S. Department of Energy, Office of Fossil Energy. We would like to acknowledge numerous useful discussions with colleagues at the Oak Ridge National Laboratory: Gordon Hsueh; Bruce Pint; and Peter Tortorelli, and with Barry Dooley of Structural Integrity Associates, Huntersville, North Carolina. NR 34 TC 0 Z9 0 U1 0 U2 0 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-61503-724-7 PY 2011 BP 213 EP 242 PG 30 WC Energy & Fuels; Metallurgy & Metallurgical Engineering SC Energy & Fuels; Metallurgy & Metallurgical Engineering GA BG9XD UT WOS:000394062500017 ER PT B AU Unocic, KA Pint, BA Wright, IG AF Unocic, K. A. Pint, B. A. Wright, I. G. BE Gandy, D Shingledecker, J Viswanathan, R TI Characterization of Reaction Products from Field Exposed Tubes SO ADVANCES IN MATERIALS TECHNOLOGY FOR FOSSIL POWER PLANTS: PROCEEDINGS FROM THE SIXTH INTERNATIONAL CONFERENCE, 2010 LA English DT Proceedings Paper CT 6th International Conference on Advances in Materials Technology for Fossil Power Plants CY AUG 31-SEP 03, 2010 CL Sante Fe, NM SP Elect Power Res Inst, ASM Mat Informat Soc, Energy Ind Ohio, Natl Energy Technol Lab, Ohio Air Qual Dev Author, Ohio Coal Dev Off ID OXIDATION BEHAVIOR; STEAM AB In order to assist in developing mechanistic and computational models for understanding the performance of current Fe-base waterwall tubing, characterization has been performed on three field-exposed low alloy steel waterwall tubes. The waterside oxide thickness was characterized using standard metallographic techniques. Alloy and oxide chemical composition was characterized using electron microprobe analysis. Waterside scale thickness was measured as a function of location. Agreement between the measured and predicted values based on likely rate constants was poor. C1 [Unocic, K. A.; Pint, B. A.; Wright, I. G.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Unocic, KA (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. FU Electric Power Research Institute [NFE-09-00289] FX This characterization performed at Oak Ridge National Laboratory was sponsored by the Electric Power Research Institute under contract NFE-09-00289. The authors would like to thank James Mathews of EPRI for insightful discussions and for expediting the collection of tube samples; H. Longmire and L. Walker for assistance with the experimental work; and Dane Wilson and Edward Kenik for reviewing the manuscript. NR 9 TC 0 Z9 0 U1 0 U2 0 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-61503-724-7 PY 2011 BP 243 EP 253 PG 11 WC Energy & Fuels; Metallurgy & Metallurgical Engineering SC Energy & Fuels; Metallurgy & Metallurgical Engineering GA BG9XD UT WOS:000394062500018 ER PT B AU Holcomb, GR Wang, P AF Holcomb, G. R. Wang, P. BE Gandy, D Shingledecker, J Viswanathan, R TI Materials Performance of Oxyfuel Turbine Alloys SO ADVANCES IN MATERIALS TECHNOLOGY FOR FOSSIL POWER PLANTS: PROCEEDINGS FROM THE SIXTH INTERNATIONAL CONFERENCE, 2010 LA English DT Proceedings Paper CT 6th International Conference on Advances in Materials Technology for Fossil Power Plants CY AUG 31-SEP 03, 2010 CL Sante Fe, NM SP Elect Power Res Inst, ASM Mat Informat Soc, Energy Ind Ohio, Natl Energy Technol Lab, Ohio Air Qual Dev Author, Ohio Coal Dev Off AB Oxyfuel combustion efforts to burn fossil fuels with oxygen, for easier post-combustion CO2 capture, include schemes to use flue gas to drive turbines for power generation. The environment examined here is 10% CO2 and 0.2% O-2, with the balance being steam, with temperatures ranging from 630 to 821 degrees C. The relatively high C and O-2 activities of this environment, as compared to pure steam, may lead to changes in oxidation behavior and mechanical properties. Oxidation coupons of Ni- and Co-base superalloys, in both bare metal and TBC coated conditions, were exposed to this environment for up to 1000 hours. The results of these exposures, in terms of mass gain and scale morphology, are presented. C1 [Holcomb, G. R.; Wang, P.] Natl Energy Technol Lab, 1450 Queen Ave SW, Albany, OR 97321 USA. [Wang, P.] URS Corp, South Pk, PA 15129 USA. RP Holcomb, GR (reprint author), Natl Energy Technol Lab, 1450 Queen Ave SW, Albany, OR 97321 USA. NR 6 TC 0 Z9 0 U1 0 U2 0 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-61503-724-7 PY 2011 BP 312 EP 324 PG 13 WC Energy & Fuels; Metallurgy & Metallurgical Engineering SC Energy & Fuels; Metallurgy & Metallurgical Engineering GA BG9XD UT WOS:000394062500024 ER PT B AU Pint, BA AF Pint, B. A. BE Gandy, D Shingledecker, J Viswanathan, R TI Performance of Al-Rich Oxidation Resistant Coatings for Fe-Base Alloys SO ADVANCES IN MATERIALS TECHNOLOGY FOR FOSSIL POWER PLANTS: PROCEEDINGS FROM THE SIXTH INTERNATIONAL CONFERENCE, 2010 LA English DT Proceedings Paper CT 6th International Conference on Advances in Materials Technology for Fossil Power Plants CY AUG 31-SEP 03, 2010 CL Sante Fe, NM SP Elect Power Res Inst, ASM Mat Informat Soc, Energy Ind Ohio, Natl Energy Technol Lab, Ohio Air Qual Dev Author, Ohio Coal Dev Off ID ALUMINIDE COATINGS; STAINLESS-STEELS; BEHAVIOR; STEAM; IRON; DEGRADATION; VAPOR AB Diffusion aluminide coatings have been evaluated as a strategy for improving the oxidation resistance of austenitic and ferritic-martensitic (FM) steels, particularly in the presence of steam or water vapor. The objective was to evaluate the strengths and weaknesses of these coatings and quantify their performance and lifetime. Long-term diffusion and oxidation experiments were conducted to study the behavior of various model diffusion coatings and produce a better data set for lifetime predictions. The key findings are that (1) thin coatings (<50 mu m) with relatively low Al contents appear to be more effective because they avoid high thermal expansion intermetallic phases and have less strain energy to nucleate a crack; and (2) the low Al reservoir in a thin coating and the loss of Al due to interdiffusion are not problematic because the low service temperatures of FM steels (<= 600 degrees C) and, for austenitic steels at higher temperatures, the phase boundary between the ferritic coating-austenitic substrate inhibits Al interdiffusion. Unresolved issues center on the effect of the coating on the mechanical properties of the substrate including the reaction of N in the alloy with Al. C1 [Pint, B. A.] Oak Ridge Natl Lab, Corros Sci & Technol Grp, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. RP Pint, BA (reprint author), Oak Ridge Natl Lab, Corros Sci & Technol Grp, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. FU U.S. Department of Energy, Office of Fossil Energy, Advanced Research Materials Program FX This work was funded by the U.S. Department of Energy, Office of Fossil Energy, Advanced Research Materials Program. The author would like to thank K. Cooley, L. Walker, T. Brummett, G. Garner, M. Stephens and H. Longmire for assistance with the experimental work and P. F. Tortorelli and S. Dryepondt for reviewing the manuscript. NR 25 TC 0 Z9 0 U1 0 U2 0 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-61503-724-7 PY 2011 BP 839 EP 849 PG 11 WC Energy & Fuels; Metallurgy & Metallurgical Engineering SC Energy & Fuels; Metallurgy & Metallurgical Engineering GA BG9XD UT WOS:000394062500058 ER PT B AU Jablonski, PD Hawk, JA Cowen, CJ Maziasz, PJ AF Jablonski, Paul D. Hawk, Jeffery A. Cowen, Christopher J. Maziasz, Philip J. BE Gandy, D Shingledecker, J Viswanathan, R TI Processing of Advanced Alloys for A-USC Steam Turbine Applications SO ADVANCES IN MATERIALS TECHNOLOGY FOR FOSSIL POWER PLANTS: PROCEEDINGS FROM THE SIXTH INTERNATIONAL CONFERENCE, 2010 LA English DT Proceedings Paper CT 6th International Conference on Advances in Materials Technology for Fossil Power Plants CY AUG 31-SEP 03, 2010 CL Sante Fe, NM SP Elect Power Res Inst, ASM Mat Informat Soc, Energy Ind Ohio, Natl Energy Technol Lab, Ohio Air Qual Dev Author, Ohio Coal Dev Off AB The high temperature components within conventional coal fired power plants are manufactured from fenitic/martensitic steels. In order to reduce greenhouse gas emissions the efficiency of pulverized coal steam power plants must be increased. The proposed steam temperature in the Advanced Ultra Supercritical (A-USC) power plant is high enough (760 degrees C) that ferritic/martensitic steels will not work due to temperature limitations of this class of materials; thus Ni-based superalloys are being considered. However, cast Nickel-based superalloys which possess high-strength, creep-resistance, and weldability are not available. In order to address these issues, cast analogues of selected wrought Nickel-based superalloys, for example H263, H282 and N105, have been produced. We will discuss our alloy design criteria, processing experiences, the as processed and heat treated microstructures, and selected mechanical properties as well as the prospects for full scale development. C1 [Jablonski, Paul D.; Hawk, Jeffery A.; Cowen, Christopher J.] Natl Energy Technol Lab, Albany, OR 97321 USA. [Maziasz, Philip J.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Jablonski, PD (reprint author), Natl Energy Technol Lab, Albany, OR 97321 USA. NR 6 TC 0 Z9 0 U1 0 U2 0 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-61503-724-7 PY 2011 BP 872 EP 885 PG 14 WC Energy & Fuels; Metallurgy & Metallurgical Engineering SC Energy & Fuels; Metallurgy & Metallurgical Engineering GA BG9XD UT WOS:000394062500060 ER PT B AU Maziasz, PJ Evans, ND Jablonski, PD AF Maziasz, P. J. Evans, N. D. Jablonski, P. D. BE Gandy, D Shingledecker, J Viswanathan, R TI High-Temperature Mechanical Properties and Microstructure of Cast Ni-Based Superalloys for Steam Turbine Casing Applications SO ADVANCES IN MATERIALS TECHNOLOGY FOR FOSSIL POWER PLANTS: PROCEEDINGS FROM THE SIXTH INTERNATIONAL CONFERENCE, 2010 LA English DT Proceedings Paper CT 6th International Conference on Advances in Materials Technology for Fossil Power Plants CY AUG 31-SEP 03, 2010 CL Sante Fe, NM SP Elect Power Res Inst, ASM Mat Informat Soc, Energy Ind Ohio, Natl Energy Technol Lab, Ohio Air Qual Dev Author, Ohio Coal Dev Off AB Advanced UltraSupercritical (A-USC) Steam fossil power plants will operate at steam temperatures up to 760 degrees C, which will require the use of Ni-based superalloys for steam boiler/superheater and turbine systems. In 2008, the Oak Ridge National Laboratory (ORNL) and the National Engineering Technology Laboratory/Albany (NETL/Albany) collaborated to make and test castings of Ni-based superalloys, which were previously only commercially available in wrought form. These cast Ni-based based alloys are envisioned for the steam turbine casing, but they may also be applicable to other large components that connect the steam supply to the steam turbine. ORNL and NETL/Albany have produced small vacuum castings of HR 282, Nimonic 105, Inconel 740, and alloy 263, which are precipitation-hardened Ni-based superalloys, as well as solid-solution superalloys such as alloys 625, 617 and 230. The initial alloy screening included tensile and creep-testing at 800 degrees C to determine which alloys are best suited for the steam turbine casing application at 760 degrees C. HR 282 has the best combination of high-temperature strength and ductility, making it a good candidate for the cast-casing application. Cast and wrought versions of HR 282 have similar creep-rupture strength, based on the limited data available to-date. Detailed comparisons to the other alloys and microstructures are included in this paper. C1 [Maziasz, P. J.; Evans, N. D.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Evans, N. D.] Univ Tennessee, Knoxville, TN 37996 USA. [Jablonski, P. D.] Natl Energy Technol Lab, Albany, OR 97321 USA. RP Maziasz, PJ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. FU U.S. Department of Energy (DOE), Office of Fossil Energy, Advanced Research Materials Program at the Oak Ridge National Laboratoy [DE-AC05-000R22725]; UT-Battelle; LLC; U.S. Department of Energy, Division of Scientific User Facilities FX Research sponsored at the Oak Ridge National Laboratoy by the U.S. Department of Energy (DOE), Office of Fossil Energy, Advanced Research Materials Program, under contract DE-AC05-000R22725 with UT-Battelle, LLC. Electron microscopy was performed at the SHaRE User Facility at the Oak Ridge National Laboratory, sponsored by U.S. Department of Energy, Division of Scientific User Facilities. NR 13 TC 0 Z9 0 U1 0 U2 0 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-61503-724-7 PY 2011 BP 900 EP 915 PG 16 WC Energy & Fuels; Metallurgy & Metallurgical Engineering SC Energy & Fuels; Metallurgy & Metallurgical Engineering GA BG9XD UT WOS:000394062500062 ER PT S AU Frederix, M Downie, AJ AF Frederix, Marijke Downie, Allan J. BE Poole, RK TI Quorum Sensing: Regulating the Regulators SO ADVANCES IN MICROBIAL PHYSIOLOGY, VOL 58 SE Advances in Microbial Physiology LA English DT Review; Book Chapter ID ACYL-HOMOSERINE-LACTONE; PSEUDOMONAS-AERUGINOSA PAO1; VIRULENCE GENE-EXPRESSION; TO-CELL COMMUNICATION; RHAMNOLIPID BIOSURFACTANT SYNTHESIS; CATABOLITE REPRESSION CONTROL; LEGUMINOSARUM BIOVAR VICIAE; JAPONICUM NODULATION GENES; N-ACYLHOMOSERINE LACTONES; PLASMID CONJUGAL TRANSFER AB Many bacteria use 'quorum sensing' (QS) as a mechanism to regulate gene induction in a population-dependent manner. In its simplest sense this involves the accumulation of a signaling metabolite during growth; the binding of this metabolite to a regulator or multiple regulators activates induction or repression of gene expression. However QS regulation is seldom this simple, because other inputs are usually involved. In this review we have focussed on how those other inputs influence QS regulation and as implied by the title, this often occurs by environmental or physiological effects regulating the expression or activity of the QS regulators. The rationale of this review is to briefly introduce the main QS signals used in Gram-negative bacteria and then introduce one of the earliest understood mechanisms of regulation of the regulator, namely the plant-mediated control of expression of the TraR QS regulator in Agrobacterium tumefaciens. We then describe how in several species, multiple QS regulatory systems can act as integrated hierarchical regulatory networks and usually this involves the regulation of QS regulators. Such networks can be influenced by many different physiological and environmental inputs and we describe diverse examples of these. In the final section, we describe different examples of how eukaryotes can influence QS regulation in Gram-negative bacteria. C1 [Frederix, Marijke; Downie, Allan J.] John Innes Ctr Plant Sci Res, Norwich NR4 7UH, Norfolk, England. RP Frederix, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA. RI Downie, J Allan/I-3487-2012 FU Biotechnology and Biological Sciences Research Council NR 360 TC 18 Z9 20 U1 2 U2 56 PU ACADEMIC PRESS LTD-ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL ROAD, LONDON NW1 7DX, ENGLAND SN 0065-2911 BN 978-0-12-381043-4 J9 ADV MICROB PHYSIOL JI Adv.Microb.Physiol. PY 2011 VL 58 BP 23 EP 80 DI 10.1016/B978-0-12-381043-4.00002-7 PG 58 WC Biochemistry & Molecular Biology; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA BWN02 UT WOS:000294270500002 PM 21722791 ER PT J AU Yang, H Meng, QQ Zhao, R Yang, J Li, WW AF Yang, Hao Meng, Qingquan Zhao, Run Yang, Jun Li, Weiwei BE Reddy, BSR TI Self-assembled Nanocomposite Oxide Films: Design, Fabrication, and Properties SO ADVANCES IN NANOCOMPOSITES - SYNTHESIS, CHARACTERIZATION AND INDUSTRIAL APPLICATIONS LA English DT Article; Book Chapter ID THIN-FILMS; BATIO3-COFE2O4 NANOSTRUCTURES; MISFIT DISLOCATIONS; FERROELECTRICITY; SUPERLATTICES; ENHANCEMENT; YBA2CU3O7; DEFECTS C1 [Yang, Hao; Meng, Qingquan; Zhao, Run; Yang, Jun; Li, Weiwei] Soochow Univ, Sch Phys Sci & Technol, Suzhou, Peoples R China. [Yang, Hao] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM USA. RP Yang, H (reprint author), Soochow Univ, Sch Phys Sci & Technol, Suzhou, Peoples R China. NR 37 TC 0 Z9 0 U1 1 U2 1 PU INTECH EUROPE PI RIJEKA PA JANEZA TRDINE9, RIJEKA, 51000, CROATIA BN 978-953-307-165-7 PY 2011 BP 947 EP 966 D2 10.5772/604 PG 20 WC Nanoscience & Nanotechnology; Materials Science, Composites SC Science & Technology - Other Topics; Materials Science GA BG0QZ UT WOS:000386476100041 ER PT S AU Templeton, J Hardy, J Lu, ZG Stevenson, J AF Templeton, Jared Hardy, John Lu, Zigui Stevenson, Jeff BE Bansal, NP Singh, P Widjaja, S Singh, D TI THE EFFECT OF A-SITE STOICHIOMETRY ON LSCF CATHODE PERFORMANCE AND STABILITY SO ADVANCES IN SOLID OXIDE FUEL CELLS VII SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 8th International Symposium on Solid Oxide Fuel Cells (SOFC) - Materials, Science, and Technology held during the 35th International Conference and Exposition on Advanced Ceramics and Composites (ICACC) CY JAN 23-28, 2011 CL Daytona Beach, FL SP Amer Ceram Soc (ACerS), Engn Ceram Div (ECD) ID POWDERS AB Anode-supported solid oxide fuel cells (SOFCs) were prepared and tested. The cells were identical except for variations in the A-site stoichiometry of the LSCF cathode. A commercial supplier provided lanthanum strontium cobalt ferrite (LSCF) powders that were stoichiometric [La0.6Sr0.4Co0.2Fe0.8O3-delta], A-site deficient [(La0.6Sr0.4)(1-x)Co0.2Fe0.8O3-delta] and Sr-deficient [La0.6Sr0.4-xCo0.2Fe0.8O3-delta], in which the imposed deficiency (x) was 0.02, 0.05, and 0.1 in the non-stoichiometric cases. Multiple 1,000 hour tests were run using each LSCF cathode composition. The performance and stability of the cells will be discussed. C1 [Templeton, Jared; Hardy, John; Lu, Zigui; Stevenson, Jeff] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Templeton, J (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. RI Hardy, John/E-1938-2016; OI Hardy, John/0000-0002-1699-3196; Lu, Zigui/0000-0001-9848-7088 NR 3 TC 0 Z9 0 U1 0 U2 6 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-118-09524-9 J9 CERAM ENG SCI PROC PY 2011 VL 32 BP 61 EP 65 PG 5 WC Electrochemistry; Energy & Fuels; Materials Science, Ceramics SC Electrochemistry; Energy & Fuels; Materials Science GA BFF71 UT WOS:000319672300005 ER PT S AU Liu, WN Sun, X Stephens, L Khaleel, M AF Liu, Wenning Sun, Xin Stephens, Liz Khaleel, Moe BE Bansal, NP Singh, P Widjaja, S Singh, D TI EFFECT OF METALLIC INTERCONNECT THICKNESS ON ITS LONG-TERM PERFORMANCE IN SOFCS SO ADVANCES IN SOLID OXIDE FUEL CELLS VII SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 8th International Symposium on Solid Oxide Fuel Cells (SOFC) - Materials, Science, and Technology held during the 35th International Conference and Exposition on Advanced Ceramics and Composites (ICACC) CY JAN 23-28, 2011 CL Daytona Beach, FL SP Amer Ceram Soc (ACerS), Engn Ceram Div (ECD) AB At the operating environment of solid oxide fuel cells (SOFCs), oxide scale will grow on the ferritic interconnect (IC) surface unavoidably and furfures induce growth stress in oxide scale and along the interface of the oxide scale and IC substrate. A combination of growth stress with thermal stresses may lead to scale delamination/buckling and eventual spallation during SOFC stack cooling, even leading to serious degradation of cell performance. In this paper, the effect of the ferritic IC thickness on the delamination/spallantion of the oxide scale was investigated numerically. The predicted results show that the interfacial shear stresses increase with the growth of the oxide scale and also with the thickness of the ferritic substrate; i.e., the thick ferritic substrate can easily lead to scale delamination and spallation. C1 [Liu, Wenning; Sun, Xin; Stephens, Liz; Khaleel, Moe] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Liu, WN (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. OI khaleel, mohammad/0000-0001-7048-0749 NR 7 TC 0 Z9 0 U1 0 U2 0 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-118-09524-9 J9 CERAM ENG SCI PROC PY 2011 VL 32 BP 131 EP 138 PG 8 WC Electrochemistry; Energy & Fuels; Materials Science, Ceramics SC Electrochemistry; Energy & Fuels; Materials Science GA BFF71 UT WOS:000319672300012 ER PT S AU Koeppel, BJ Liu, WN Stephens, EV Khaleel, MA AF Koeppel, Brian J. Liu, Wenning Stephens, Elizabeth V. Khaleel, Moe A. BE Bansal, NP Singh, P Widjaja, S Singh, D TI NUMERICAL MODELING OF CATHODE CONTACT MATERIAL DENSIFICATION SO ADVANCES IN SOLID OXIDE FUEL CELLS VII SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 8th International Symposium on Solid Oxide Fuel Cells (SOFC) - Materials, Science, and Technology held during the 35th International Conference and Exposition on Advanced Ceramics and Composites (ICACC) CY JAN 23-28, 2011 CL Daytona Beach, FL SP Amer Ceram Soc (ACerS), Engn Ceram Div (ECD) AB Numerical modeling was used to simulate the constrained sintering process of the cathode contact layer during assembly of solid oxide fuel cells (SOFCs). A finite element model based on the continuum theory for sintering of porous bodies was developed and used to investigate candidate low-temperature cathode contact materials. Constitutive parameters for various contact materials under development were estimated from dilatometry screening tests, and the influence of processing time, processing temperature initial grain size, and applied compressive stress on the free sintering response was predicted for selected candidate materials. The densification behavior and generated stresses within a 5-cell planar SOFC stack during sintering, high temperature operation, and room temperature shutdown were predicted. Insufficient constrained densification was observed in the stack at the proposed heat treatment, but beneficial effects of reduced grain size, compressive stack preload, and reduced thermal expansion coefficient on the contact layer densification and stresses were observed. C1 [Koeppel, Brian J.; Liu, Wenning; Stephens, Elizabeth V.; Khaleel, Moe A.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Koeppel, BJ (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. OI khaleel, mohammad/0000-0001-7048-0749 NR 9 TC 0 Z9 0 U1 0 U2 1 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-118-09524-9 J9 CERAM ENG SCI PROC PY 2011 VL 32 BP 171 EP 181 PG 11 WC Electrochemistry; Energy & Fuels; Materials Science, Ceramics SC Electrochemistry; Energy & Fuels; Materials Science GA BFF71 UT WOS:000319672300016 ER PT J AU He, MX Hogue, TS Franz, KJ Margulis, SA Vrugt, JA AF He, Minxue Hogue, Terri S. Franz, Kristie J. Margulis, Steven A. Vrugt, Jasper A. TI Characterizing parameter sensitivity and uncertainty for a snow model across hydroclimatic regimes SO ADVANCES IN WATER RESOURCES LA English DT Article DE National Weather Service; SNOW17; Snowmelt; Uncertainty; Generalized Sensitivity Analysis; Differential Evolution Adaptive Metropolis ID NATIONAL-WEATHER-SERVICE; TELEMETRY SNOTEL DATA; WESTERN NORTH-AMERICA; COLORADO RIVER-BASIN; HYDROLOGIC MODEL; ENVIRONMENTAL-MODELS; AUTOMATIC CALIBRATION; METROPOLIS ALGORITHM; WATER EQUIVALENT; UNITED-STATES AB The National Weather Service (NWS) uses the SNOW17 model to forecast snow accumulation and ablation processes in snow-dominated watersheds nationwide. Successful application of the SNOW17 relies heavily on site-specific estimation of model parameters. The current study undertakes a comprehensive sensitivity and uncertainty analysis of SNOW17 model parameters using forcing and snow water equivalent (SWE) data from 12 sites with differing meteorological and geographic characteristics. The Generalized Sensitivity Analysis and the recently developed Differential Evolution Adaptive Metropolis (DREAM) algorithm are utilized to explore the parameter space and assess model parametric and predictive uncertainty. Results indicate that SNOW17 parameter sensitivity and uncertainty generally varies between sites. Of the six hydroclimatic characteristics studied, only air temperature shows strong correlation with the sensitivity and uncertainty ranges of two parameters, while precipitation is highly correlated with the uncertainty of one parameter. Posterior marginal distributions of two parameters are also shown to be site-dependent in terms of distribution type. The SNOW17 prediction ensembles generated by the DREAM-derived posterior parameter sets contain most of the observed SWE. The proposed uncertainty analysis provides posterior parameter information on parameter uncertainty and distribution types that can serve as a foundation for a data assimilation framework for hydrologic models. (C) 2010 Elsevier Ltd. All rights reserved. C1 [He, Minxue; Hogue, Terri S.; Margulis, Steven A.] Univ Calif Los Angeles, Dept Civil & Environm Engn, Los Angeles, CA 90095 USA. [Franz, Kristie J.] Iowa State Univ, Dept Geol & Atmospher Sci, Ames, IA 50011 USA. [Vrugt, Jasper A.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Vrugt, Jasper A.] Univ Amsterdam, Inst Biodivers & Ecosyst Dynam, Amsterdam, Netherlands. [Vrugt, Jasper A.] Univ Calif Irvine, Dept Civil & Environm Engn, Irvine, CA USA. [He, Minxue] Natl Weather Serv, Off Hydrol Dev, NOAA, Silver Spring, MD USA. [He, Minxue] Riverside Technol Inc, Ft Collins, CO USA. RP Hogue, TS (reprint author), Univ Calif Los Angeles, Dept Civil & Environm Engn, 5731F Boelter Hall, Los Angeles, CA 90095 USA. EM thogue@seas.ucla.edu RI Franz, Kristie/B-1554-2012; Vrugt, Jasper/C-3660-2008 OI Franz, Kristie/0000-0002-3700-6321; FU National Oceanic Atmospheric Administration (NOAA) National Weather Service [NA07NWS4620013]; UCLA; Los Alamos National Laboratory FX The authors thank Dr. Pedro Restrepo, Dr. Dong-Jun Seo, and Dr. Yuqiong Liu for their suggestions and advice on the development of this work. This work is partially supported by a grant from the National Oceanic Atmospheric Administration (NOAA) National Weather Service (NA07NWS4620013) and by a UCLA Graduate Division Fellowship. The work of the last author is supported by a J. Robert Oppenheimer Fellowship from the Los Alamos National Laboratory Postdoctoral Program. NR 69 TC 20 Z9 21 U1 2 U2 13 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 J9 ADV WATER RESOUR JI Adv. Water Resour. PD JAN PY 2011 VL 34 IS 1 BP 114 EP 127 DI 10.1016/j.advwatres.2010.10.002 PG 14 WC Water Resources SC Water Resources GA 742GT UT WOS:000288930000009 ER PT S AU Khounsary, A Lai, B Rack, A Goto, S Chubar, O Weitkamp, T AF Khounsary, A. Lai, B. Rack, A. Goto, S. Chubar, O. Weitkamp, T. BE Morawe, C Khounsary, AM Goto, S TI Progress on Single Crystal Beryllium Windows SO ADVANCES IN X-RAY/EUV OPTICS AND COMPONENTS VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advances in X-Ray/EUV Optics and Components VI CY AUG 22-24, 2011 CL San Diego, CA SP SPIE DE X-ray optics; windows; single crystal; coherence; wave front; Talbot imaging ID SYNCHROTRON-RADIATION; OPTICS AB Fabrication of double-side-polished single-crystal beryllium foils for X-ray window applications were reported in an earlier paper. It was stipulated that unlike the conventional windows, polished single-crystal windows - nearly free from granular boundaries, voids, impurities, and inclusions - would essentially transmit an incident X-ray beam unaltered, except for a uniform attenuation. This paper reports on further X-ray characterization of these windows. Near- and far-field transmission images of the windows have been obtained, and the impact of the windows on the wave quality and coherence properties of the transmitted X-ray beam is demonstrated. Compared with conventional X-ray windows, single-crystal beryllium windows are shown to introduce significantly less artifacts in the transmitted beam but largely preserve coherence. The cause of sporadic and faint features in the transmitted images is discussed and wave optics computation is used to simulate some features. C1 [Khounsary, A.; Lai, B.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Khounsary, A (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RI Weitkamp, Timm/A-8975-2012; Alexander, Rack/C-9397-2012; Chubar, Oleg/B-6286-2014 OI Weitkamp, Timm/0000-0002-0374-0472; NR 10 TC 1 Z9 1 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-749-0 J9 PROC SPIE PY 2011 VL 8139 AR 813914 DI 10.1117/12.895391 PG 5 WC Optics; Physics, Applied SC Optics; Physics GA BXX84 UT WOS:000297556300035 ER PT J AU Jiang, JK Zhao, J Chen, MD Eisele, FL Scheckman, J Williams, BJ Kuang, CA McMurry, PH AF Jiang, Jingkun Zhao, Jun Chen, Modi Eisele, Fred L. Scheckman, Jacob Williams, Brent J. Kuang, Chongai McMurry, Peter H. TI First Measurements of Neutral Atmospheric Cluster and 1-2 nm Particle Number Size Distributions During Nucleation Events SO AEROSOL SCIENCE AND TECHNOLOGY LA English DT Article ID NANOMETER PARTICLES; MOBILITY; H2SO4; AIR C1 [Jiang, Jingkun] Tsinghua Univ, Dept Environm Sci & Engn, Beijing 100084, Peoples R China. [Jiang, Jingkun; Chen, Modi; Scheckman, Jacob; Williams, Brent J.; Kuang, Chongai; McMurry, Peter H.] Univ Minnesota, Dept Mech Engn, Minneapolis, MN 55455 USA. [Zhao, Jun; Eisele, Fred L.] Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80307 USA. [Kuang, Chongai] Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. RP Jiang, JK (reprint author), Tsinghua Univ, Dept Environm Sci & Engn, Beijing 100084, Peoples R China. EM jiangjk@tsinghua.edu.cn RI Williams, Brent/A-2886-2013; Kuang, Chongai/E-4446-2013; Jiang, Jingkun/A-1076-2010; Zhao, Jun/C-8565-2009; McMurry, Peter/A-8245-2008; hui, wanghui/C-5671-2008 OI Zhao, Jun/0000-0002-3340-4816; McMurry, Peter/0000-0003-1609-5131; FU NSF [ATM-0506674]; US DOE [DE-FG-02-05ER63997]; Guggenheim Fellowship FX This work was funded by NSF Award Number ATM-0506674 and US DOE Grant Number DE-FG-02-05ER63997. PHM was supported by a Guggenheim Fellowship. We also appreciate the support of John Jansen (The Southern Company) in providing us with access to the site and the sampling laboratories and Eric Edgerton (Atmospheric Research and Analysis, Inc.) for his assistance with site preparation. We thank Dr. Susanne Hering, AST Editor, for helping to improve the clarity of our paper. The National Center for Atmospheric Research is sponsored by the National Science Foundation. NR 18 TC 59 Z9 59 U1 2 U2 39 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0278-6826 J9 AEROSOL SCI TECH JI Aerosol Sci. Technol. PY 2011 VL 45 IS 4 BP II EP V DI 10.1080/02786826.2010.546817 PG 4 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 712HJ UT WOS:000286656800002 ER PT J AU Vaden, TD Imre, D Beranek, J Zelenyuk, A AF Vaden, Timothy D. Imre, Dan Beranek, Josef Zelenyuk, Alla TI Extending the Capabilities of Single Particle Mass Spectrometry: I. Measurements of Aerosol Number Concentration, Size Distribution, and Asphericity SO AEROSOL SCIENCE AND TECHNOLOGY LA English DT Article ID IN-SITU CHARACTERIZATION; BEAM WIDTH PROBE; AERODYNAMIC DIAMETERS; CONTROLLED DIMENSIONS; NOZZLE EXPANSIONS; ORGANIC PARTICLES; EFFECTIVE DENSITY; LASER-ABLATION; SPLAT II; TIME AB Single particle mass spectrometers have traditionally been deployed to measure the size and composition of individual particles. The relatively slow sampling rates of these instruments are determined by the rate at which the ionization lasers can fire and/or mass spectra can be recorded. Under most conditions, our single particle mass spectrometer, SPLAT, can detect and size particles at much higher rates than it can record mass spectra. We therefore developed a dual data acquisition mode, in which particle number concentrations, size distributions, and asphericity are measured at a rate determined by particle concentration and the particle detection efficiency, all while the instrument generates and records individual particle sizes and mass spectra at an operator-set rate. Particle number concentrations are calculated from the particle detection rate at the first optical stage and the measured sampling flow rate. We show that SPLAT measured particle number concentrations are in very good agreement with independent measurements by the passive cavity aerosol spectrometer probe (PCASP). Particle asphericity is based on the ratio of the particle detection rates at the first and second optical stages. Particle size is based on the measurement of particle time of flight between the two detection stages. We illustrate the artifact in the measured size distributions that can be introduced by high particle concentrations and present a method to remove it and correct the size distributions. Particle number concentration and asphericity are measured with 1 s resolution and particle vacuum aerodynamic size distributions are measured with 4 to 60 s resolution. C1 [Vaden, Timothy D.; Beranek, Josef; Zelenyuk, Alla] Pacific NW Natl Lab, Richland, WA 99352 USA. [Imre, Dan] Imre Consulting, Richland, WA USA. RP Zelenyuk, A (reprint author), Pacific NW Natl Lab, POB 999,MSIN K8-88, Richland, WA 99352 USA. EM Alla.Zelenyuk@pnl.gov FU U.S. Department of Energy (DOE) Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; Office of Biological and Environmental Research (OBER); DOE's OBER at Pacific Northwest National Laboratory (PNNL); Battelle Memorial Institute [DE-AC06-76RL0 1830]; DOE; National Research Council of Canada; Environment Canada; DOE OBER Environmental Science Division FX This work was supported by the U.S. Department of Energy (DOE) Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences and Office of Biological and Environmental Research (OBER). Part of this research was performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the DOE's OBER at Pacific Northwest National Laboratory (PNNL). PNNL is operated by the U.S. DOE by Battelle Memorial Institute under contract No. DE-AC06-76RL0 1830.; We thank the ISDAC and CARES teams for their incredible help during these field campaigns. ISDAC and CARES were supported by the U.S. DOE Atmospheric Radiation Measurement (ARM) Program Climate Research Facility, the DOE Atmospheric Sciences Program, the National Research Council of Canada and Environment Canada. Some of the data were obtained from the ARM program archive, sponsored by DOE OBER Environmental Science Division. NR 38 TC 15 Z9 16 U1 0 U2 21 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0278-6826 J9 AEROSOL SCI TECH JI Aerosol Sci. Technol. PY 2011 VL 45 IS 1 BP 113 EP 124 DI 10.1080/02786826.2010.526155 PG 12 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 697UD UT WOS:000285542900011 ER PT J AU Vaden, TD Imre, D Beranek, J Zelenyuk, A AF Vaden, Timothy D. Imre, Dan Beranek, Josef Zelenyuk, Alla TI Extending the Capabilities of Single Particle Mass Spectrometry: II. Measurements of Aerosol Particle Density without DMA SO AEROSOL SCIENCE AND TECHNOLOGY LA English DT Article ID SECONDARY ORGANIC AEROSOL; ATMOSPHERIC PARTICLES; AERODYNAMIC DIAMETERS; REFRACTIVE-INDEX; LASER-ABLATION; SIZE; MOBILITY; MORPHOLOGY; SPECTRA; SPLAT AB Particle density is an important and useful property that is difficult to measure because it usually requires two separate instruments to measure two particle attributes. As density measurements are often performed on size-classified particles, they are hampered by low particle numbers, and hence poor temporal resolution. We present here a new method for measuring particle densities using our single particle mass spectrometer, SPLAT. This method takes advantage of the fact that the detection efficiency in our single particle mass spectrometer drops off very rapidly as the particle size decreases below similar to 100 nm creating a distinct sharp feature on the small particle side of the vacuum aerodynamic size distribution. Thus, the two quantities needed to determine particle density, the particle diameter and vacuum aerodynamic diameter, are known. We first test this method on particles of known compositions and densities to find that the densities it yields are accurate. We then apply the method to obtain the densities of particles that were characterized during instrument field deployments. We illustrate how the method can also be used to measure the density of chemically resolved particles. In addition, we present a new method to characterize the instrument detection efficiency as a function of particle size that relies on measuring the mobility and vacuum aerodynamic size distributions of polydisperse spherical particles of known density. We show that a new aerodynamic lens used in SPLAT II improves instrument performance, making it possible to detect 83 nm particles with 50% efficiency. C1 [Vaden, Timothy D.; Beranek, Josef; Zelenyuk, Alla] Pacific NW Natl Lab, Richland, WA 99352 USA. [Imre, Dan] Imre Consulting, Richland, WA USA. RP Zelenyuk, A (reprint author), Pacific NW Natl Lab, POB 999,MSIN K8-88, Richland, WA 99352 USA. EM Alla.Zelenyuk@pnl.gov FU U.S. Department of Energy (DOE) Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; Office of Biological and Environmental Research (OBER); DOE's OBER at Pacific Northwest National Laboratory (PNNL); Battelle Memorial Institute [DE-AC06-76RL0 1830]; U.S. DOE; DOE; National Research Council of Canada and Environment Canada; DOE OBER Environmental Science Division FX This work was supported by the U.S. Department of Energy (DOE) Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences and Office of Biological and Environmental Research (OBER). Part of this research was performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the DOE's OBER at Pacific Northwest National Laboratory (PNNL). PNNL is operated by the U.S. DOE by Battelle Memorial Institute under contract No. DE-AC06-76RL0 1830.; We thank the ISDAC and CARES teams for their incredible help during these field campaigns. ISDAC and CARES were supported by the U.S. DOE Atmospheric Radiation Measurement (ARM) Program Climate Research Facility, the DOE Atmospheric Sciences Program, the National Research Council of Canada and Environment Canada. Some of the data were obtained from the ARM program archive, sponsored by DOE OBER Environmental Science Division. NR 39 TC 15 Z9 16 U1 0 U2 21 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0278-6826 J9 AEROSOL SCI TECH JI Aerosol Sci. Technol. PY 2011 VL 45 IS 1 BP 125 EP 135 DI 10.1080/02786826.2010.526156 PG 11 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 697UD UT WOS:000285542900012 ER PT J AU Hubbard, JA Haglund, JS Ezekoye, OA McFarland, AR AF Hubbard, J. A. Haglund, J. S. Ezekoye, O. A. McFarland, A. R. TI Liquid Consumption of Wetted Wall Bioaerosol Sampling Cyclones: Characterization and Control SO AEROSOL SCIENCE AND TECHNOLOGY LA English DT Article ID MICROFLUIDIC DEVICES AB Advances in microfluidic, lab on chip, and other near-real-time biological identification technologies have driven the desire to concentrate bioaerosols into hydrosol sample volumes on the order of tens of microliters (mu L). However, typical wet biological aerosol collector outputs are an order or two of magnitude above this goal. The ultimate success of bioaerosol collectors and biological identifiers requires an effective coupling at the macro-to-micro interface. Liquid collection performance was studied experimentally for a family of dynamically scaled wetted wall bioaerosol sampling cyclones (WWC's). Steady-state liquid collection rates and system response times were measured for a range of environmental conditions (temperatures from 10 degrees C to 50 degrees C and relative humidities from 10% to 90%), liquid input rates, and WWC airflow configurations. A critical liquid input rate parameter was discovered that collapsed all experimental data to self-similar empirical performance correlations. A system algorithm was then developed from empirical correlations to provide control over the liquid output rate and resulting concentration factor for a cyclone with an airflow rate of 100 L/min. Desired liquid output rates of 25 to 50 mu L/min were maintained while sampling outdoor air over diurnal ranges of environmental conditions. These flow rates are associated with concentration factors on the order of 1,000,000 to 2,000,000 and liquid outputs that are a steady stream of 10 to 30 drops/min of 7 to 10 mu L droplets. These developments should allow wetted wall cyclones to be effectively coupled to advanced biological identification systems. C1 [Hubbard, J. A.; Haglund, J. S.; Ezekoye, O. A.] Univ Texas Austin, Appl Res Labs, Austin, TX 78713 USA. [Hubbard, J. A.; Haglund, J. S.; Ezekoye, O. A.] Univ Texas Austin, Dept Mech Engn, Austin, TX 78712 USA. [McFarland, A. R.] Texas A&M Univ, Dept Mech Engn, Aerosol Technol Lab, College Stn, TX 77843 USA. RP Hubbard, JA (reprint author), Sandia Natl Labs, POB 5800,MS1135, Albuquerque, NM 87185 USA. EM jahubba@sandia.gov NR 11 TC 3 Z9 3 U1 2 U2 11 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0278-6826 J9 AEROSOL SCI TECH JI Aerosol Sci. Technol. PY 2011 VL 45 IS 2 BP 172 EP 182 DI 10.1080/02786826.2010.528806 PG 11 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 697UG UT WOS:000285543700004 ER PT J AU Kulkarni, G Pekour, M Afchine, A Murphy, DM Cziczo, DJ AF Kulkarni, Gourihar Pekour, Mikhail Afchine, Armin Murphy, Daniel M. Cziczo, Daniel J. TI Comparison of Experimental and Numerical Studies of the Performance Characteristics of a Pumped Counterflow Virtual Impactor SO AEROSOL SCIENCE AND TECHNOLOGY LA English DT Article ID CLOUD DROPLETS; ICE NUCLEATION; DESIGN; CVI AB Experiments and Computational Fluid Dynamic (CFD) simulations were performed to evaluate the performance characteristics of a Pumped Counterflow Virtual Impactor (PCVI). The diameter at which 50% of the particles were transmitted was determined for various flow configurations. Experimentally determined 50% cut sizes varied from 2.2 to 4.8 micrometers and CFD predicted diameters agreed within +/- 0.4 micrometers. Both experimental and CFD results showed similar transmission efficiency (TE) curves. CFD TE was always greater than experimental results, most likely due to impaction losses in fittings not included in the simulations. Ideal transmission, corresponding to 100% TE, was never realized in either case due to impaction losses and small-scale flow features such as eddies. Areas where CFD simulations showed such flow recirculation zones were also found to be the locations where particulate residue was deposited during experiments. CFD parametric tests showed that PCVI performance can be affected by the nozzle geometry and misalignment between the nozzle and collector orifice. We conclude that CFD can be used with confidence for counter-flow virtual impactor (CVI) design. Modifications to improve the performance characteristics of the PCVI are suggested. C1 [Kulkarni, Gourihar; Pekour, Mikhail; Cziczo, Daniel J.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99354 USA. [Afchine, Armin] Forschungszentrum Julich GmbH, Inst Chem & Dynam Geosphere ICG 1, Julich, Germany. [Murphy, Daniel M.] NOAA Earth Syst Res Lab, Div Chem Sci, Boulder, CO USA. RP Kulkarni, G (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, 902 Battelle Blvd, Richland, WA 99354 USA. EM Gourihar.Kulkarni@pnl.gov RI Murphy, Daniel/J-4357-2012; Manager, CSD Publications/B-2789-2015 OI Murphy, Daniel/0000-0002-8091-7235; FU Pacific Northwest National Laboratory Aerosol and Climate Initiative; NOAA FX Funding of this work was provided by the Pacific Northwest National Laboratory Aerosol and Climate Initiative and NOAA base funding. We wish to thank Karl Froyd for useful discussions. NR 23 TC 13 Z9 13 U1 1 U2 32 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0278-6826 J9 AEROSOL SCI TECH JI Aerosol Sci. Technol. PY 2011 VL 45 IS 3 BP 382 EP 392 DI 10.1080/02786826.2010.539291 PG 11 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 712HA UT WOS:000286655700009 ER PT J AU Jiang, JK Chen, MD Kuang, CA Attoui, M McMurry, PH AF Jiang, Jingkun Chen, Modi Kuang, Chongai Attoui, Michel McMurry, Peter H. TI Electrical Mobility Spectrometer Using a Diethylene Glycol Condensation Particle Counter for Measurement of Aerosol Size Distributions Down to 1 nm SO AEROSOL SCIENCE AND TECHNOLOGY LA English DT Article ID HETEROGENEOUS NUCLEATION; ATMOSPHERIC NUCLEATION; CHARGE-DISTRIBUTION; NUCLEUS COUNTER; SULFURIC-ACID; MASS; NANOPARTICLES; DIAMETER; ATLANTA; DMA AB We report a new scanning mobility particle spectrometer (SMPS) for measuring number size distributions of particles down to similar to 1 nm mobility diameter. This SMPS includes an aerosol charger, a TSI 3085 nano differential mobility analyzer (nanoDMA), an ultrafine condensation particle counter (UCPC) using diethylene glycol (DEG) as the working fluid, and a conventional butanol CPC (the "booster") to detect the small droplets leaving the DEG UCPC. The response of the DEG UCPC to negatively charged sodium chloride particles with mobility diameters ranging from 1-6 nm was measured. The sensitivity of the DEG UCPC to particle composition was also studied by comparing its response to positively charged 1.47 and 1.70 nm tetra-alkyl ammonium ions, sodium chloride, and silver particles. A high resolution differential mobility analyzer was used to generate the test particles. These results show that the response of this UCPC to sub-2 nm particles is sensitive to particle composition. The applicability of the new SMPS for atmospheric measurement was demonstrated during the Nucleation and Cloud Condensation Nuclei (NCCN) field campaign (Atlanta, Georgia, summer 2009). We operated the instrument at saturator and condenser temperatures that allowed the efficient detection of sodium chloride particles but not of air ions having the same mobility. We found that particles as small as 1 nm were detected during nucleation events but not at other times. Factors affecting size distribution measurements, including aerosol charging in the 1-10 nm size range, are discussed. For the charger used in this study, bipolar charging was found to be more effective for sub-2 nm particles than unipolar charging. No ion induced nucleation inside the charger was observed during the NCCN campaign. C1 [Jiang, Jingkun] Tsinghua Univ, Sch Environm Sci & Engn, Dept Environm Sci & Engn, Beijing 100084, Peoples R China. [Jiang, Jingkun; Chen, Modi; Kuang, Chongai; McMurry, Peter H.] Univ Minnesota, Dept Mech Engn, Minneapolis, MN 55455 USA. [Kuang, Chongai] Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. [Attoui, Michel] Univ Paris 12, Paris, France. RP Jiang, JK (reprint author), Tsinghua Univ, Sch Environm Sci & Engn, Dept Environm Sci & Engn, Beijing 100084, Peoples R China. EM jiangjk@tsinghua.edu.cn RI McMurry, Peter/A-8245-2008; Jiang, Jingkun/A-1076-2010; Kuang, Chongai/E-4446-2013; hui, wanghui/C-5671-2008 OI McMurry, Peter/0000-0003-1609-5131; FU US NSF [ATM-0506674]; US DOE [DE-FG-05ER63997] FX This work was supported by a grant from US NSF (ATM-0506674) and US DOE grant DE-FG-05ER63997. NR 59 TC 45 Z9 46 U1 4 U2 43 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0278-6826 J9 AEROSOL SCI TECH JI Aerosol Sci. Technol. PY 2011 VL 45 IS 4 BP 510 EP 521 DI 10.1080/02786826.2010.547538 PG 12 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 712HJ UT WOS:000286656800008 ER PT J AU Webb, A Lind, PA Kalmijn, J Feiler, HS Smith, TL Schuckit, MA Wilhelmsen, K AF Webb, Amy Lind, Penelope A. Kalmijn, Jelger Feiler, Heidi S. Smith, Tom L. Schuckit, Marc A. Wilhelmsen, Kirk TI The Investigation into CYP2E1 in Relation to the Level of Response to Alcohol Through a Combination of Linkage and Association Analysis SO ALCOHOLISM-CLINICAL AND EXPERIMENTAL RESEARCH LA English DT Article DE Level of Response to Alcohol; Linkage Analysis; Association Analysis; Combined Linkage and Association; CYP2E1; Locus Heterogeneity ID LUNG-CANCER RISK; LIVER-DISEASE; GENETIC POLYMORPHISMS; CYTOCHROME P4502E1; HEPATOCELLULAR-CARCINOMA; 5'-FLANKING REGION; RSAI POLYMORPHISM; MISSION INDIANS; TIME-COURSE; SUSCEPTIBILITY AB Background: A low level of response to alcohol during an individual's early experience with alcohol is associated with an increase risk of alcoholism. A family-based genome-wide linkage analysis using sibling pairs that underwent an alcohol challenge where the level of response to alcohol was measured with the Subjective High Assessment Scale (SHAS) implicated the 10q terminal (10qter) region. CYP2E1, a gene known for its involvement with ethanol metabolism, maps to this region. Methods: Variance component multipoint linkage analysis was performed on a combined map of single-nucleotide polymorphism (SNP) and microsatellite data. To account for the heterogeneity evident in the dataset, a calculation assuming locus heterogeneity was made using the Heterogeneity Log of Odds (HLOD) score. Association between SNP marker allele counts and copy number and SHAS scores were evaluated using a logistic regression model. Results: Linkage analysis detected significant linkage to CYP2E1, which was diminished because of apparent locus heterogeneity traced to a single family with extreme phenotypes. In retrospect, circumstances recorded during testing for this family suggest that their phenotype data are likely to be unreliable. Significant allelic associations were detected for several CYP2E1 polymorphisms and the SHAS score. DNA sequencing from families that contributed the greatest evidence for linkage did not detect any changes directly affecting the primary amino acid sequence. With the removal of a single family, combined evidence from microsatellites and SNPs offers significant linkage between the level of response to alcohol and the region on the end of chromosome 10. Conclusion: Combined linkage and association indicate that sequence changes in or near CYP2E1 affect the level of response to alcohol providing a predictor of risk of alcoholism. The absence of coding sequence changes indicates that regulatory sequences are responsible. Implicating CYP2E1 in the level of response to alcohol allows inferences to be made about how the brain perceives alcohol. C1 [Wilhelmsen, Kirk] UNC CH, Dept Neurol & Genet, Chapel Hill, NC 27599 USA. [Webb, Amy] UNC CH, Dept Biomed Engn, Chapel Hill, NC 27599 USA. [Lind, Penelope A.] Queensland Inst Med Res, Brisbane, Qld 4006, Australia. [Kalmijn, Jelger; Smith, Tom L.; Schuckit, Marc A.] Univ Calif San Diego, Dept Psychiat, San Diego, CA 92103 USA. Vet Affairs San Diego Healthcare Syst, San Diego, CA USA. [Feiler, Heidi S.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Wilhelmsen, K (reprint author), UNC CH, Dept Neurol & Genet, 120 Mason Farm Rd,Campus Box 7264, Chapel Hill, NC 27599 USA. EM kirk@med.unc.edu RI Lind, Penelope/B-2553-2009; OI Lind, Penelope/0000-0002-3887-2598 FU State of California through University of California, San Francisco; Veterans Affairs Research Service; National Institute on Alcohol Abuse and Alcoholism [05526, 08403]; CompassPoint Addiction Foundation; Bowles Center for Alcohol Studies at UNC [5P600AA011605] FX We express our thanks to the participants of the alcohol challenge for their willingness to partake in this investigation. This work was supported by funds provided by the State of California for medical research on alcohol and substance abuse through the University of California, San Francisco; the Veterans Affairs Research Service; National Institute on Alcohol Abuse and Alcoholism (grant numbers 05526, 08403), a grant from the CompassPoint Addiction Foundation, and the Bowles Center for Alcohol Studies at UNC (grant number 5P600AA011605). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 50 TC 14 Z9 15 U1 0 U2 6 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0145-6008 J9 ALCOHOL CLIN EXP RES JI Alcoholism (NY) PD JAN PY 2011 VL 35 IS 1 BP 10 EP 18 DI 10.1111/j.1530-0277.2010.01317.x PG 9 WC Substance Abuse SC Substance Abuse GA 696BS UT WOS:000285417500002 PM 20958328 ER PT J AU Thanos, PK Gopez, V Delis, F Michaelides, M Grandy, DK Wang, GJ Kunos, G Volkow, ND AF Thanos, Panayotis K. Gopez, Vanessa Delis, Foteini Michaelides, Michael Grandy, David K. Wang, Gene-Jack Kunos, George Volkow, Nora D. TI Upregulation of Cannabinoid Type 1 Receptors in Dopamine D2 Receptor Knockout Mice Is Reversed by Chronic Forced Ethanol Consumption SO ALCOHOLISM-CLINICAL AND EXPERIMENTAL RESEARCH LA English DT Article DE Cannabinoid; CB1; Dopamine; D2; Knockout; Ethanol; Autoradiography ID CONDITIONED PLACE PREFERENCE; PRENATAL HALOPERIDOL EXPOSURE; PREFERRING SP RATS; CB1 RECEPTOR; NUCLEUS-ACCUMBENS; SEX-DIFFERENCES; DEFICIENT MICE; ENERGY-EXPENDITURE; LOCOMOTOR-ACTIVITY; BRAIN-STIMULATION AB Background: The anatomical proximity of the cannabinoid type 1 (CNR1/CB1R) and the dopamine D2 receptors (DRD2), their ability to form CB1R-DRD2 heteromers, their opposing roles in locomotion, and their involvement in ethanol's reinforcing and addictive properties prompted us to study the levels and distribution of CB1R after chronic ethanol intake, in the presence and absence of DRD2. Methods: We monitored the drinking patterns and locomotor activity of Drd2+/+ and Drd2-/- mice consuming either water or a 20% (v/v) ethanol solution (forced ethanol intake) for 6 months and used the selective CB1 receptor antagonist [3H]SR141716A to quantify CB1R levels in different brain regions with in vitro receptor autoradiography. Results: We found that the lack of DRD2 leads to a marked upregulation (approximately 2-fold increase) of CB1R in the cerebral cortex, the caudate-putamen, and the nucleus accumbens, which was reversed by chronic ethanol intake. Conclusions: The results suggest that DRD2-mediated dopaminergic neurotransmission and chronic ethanol intake exert an inhibitory effect on cannabinoid receptor expression in cortical and striatal regions implicated in the reinforcing and addictive properties of ethanol. C1 [Thanos, Panayotis K.; Volkow, Nora D.] NIAAA, Dept Hlth & Human Serv, Lab Neuroimaging, NIH, Bethesda, MD USA. [Thanos, Panayotis K.; Gopez, Vanessa; Delis, Foteini; Michaelides, Michael; Wang, Gene-Jack] Brookhaven Natl Lab, Dept Med, Behav Neuropharmacol & Neuroimaging Lab, Upton, NY 11973 USA. [Michaelides, Michael] SUNY Stony Brook, Dept Psychol, Stony Brook, NY 11794 USA. [Grandy, David K.] Oregon Hlth & Sci Univ, Dept Physiol & Pharmacol, Portland, OR 97201 USA. [Kunos, George] NIAAA, Dept Hlth & Human Serv, Lab Physiol Studies, NIH, Bethesda, MD USA. RP Thanos, PK (reprint author), NIAAA, Dept Hlth & Human Serv, Lab Neuroimaging, NIH, Bethesda, MD USA. EM thanos@bnl.gov RI Michaelides, Michael/K-4736-2013 OI Michaelides, Michael/0000-0003-0398-4917 FU NIAAA [AA 11034, AA07574, AA07611] FX This work was supported by the NIAAA (AA 11034 & AA07574, AA07611). NR 79 TC 14 Z9 14 U1 1 U2 4 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0145-6008 J9 ALCOHOL CLIN EXP RES JI Alcoholism (NY) PD JAN PY 2011 VL 35 IS 1 BP 19 EP 27 DI 10.1111/j.1530-0277.2010.01318.x PG 9 WC Substance Abuse SC Substance Abuse GA 696BS UT WOS:000285417500003 PM 20958329 ER PT S AU Rocklin, M Pinar, A AF Rocklin, Matthew Pinar, Ali BE Frieze, A Horn, P Pralat, P TI Latent Clustering on Graphs with Multiple Edge Types SO ALGORITHMS AND MODELS FOR THE WEB GRAPH SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 8th International Workshop on Algorithms and Models for the Web Graph (WAW) CY MAY 27-29, 2011 CL Atlanta, GA SP Google, Internet Math, Microsoft Res New England, Natl Sci Fdn, Telefonica Res, W Virginia Univ, Yahoo Res AB We study clustering on graphs with multiple edge types. Our main motivation is that similarities between objects can be measured in many different metrics, and so allowing graphs with multivariate edges significantly increases modeling power. In this context the clustering problem becomes more challenging. Each edge/metric provides only partial information about the data; recovering full information requires aggregation of all the similarity metrics. We generalize the concept of clustering in single-edge graphs to multi-edged graphs and discuss how this generates a space of clusterings. We describe a meta-clustering structure on this space and propose methods to compactly represent the meta-clustering structure. Experimental results on real and synthetic data are presented. C1 [Rocklin, Matthew] Univ Chicago, Dept Comp Sci, Chicago, IL 60637 USA. [Pinar, Ali] Sandia Natl Labs, Livermore, CA 94550 USA. RP Rocklin, M (reprint author), Univ Chicago, Dept Comp Sci, Chicago, IL 60637 USA. EM mrocklin@cs.uchicago.edu; apinar@sandia.gov RI Frieze, Alan/B-8140-2017 OI Frieze, Alan/0000-0002-8481-5615 FU United States Department of Energy and performed at Sandia National Laboratories; multiprogram laboratory operated by Sandia Corporation; wholly owned subsidiary of Lockheed Martin Corporation; United States Department of Energy's National Nuclear Security Administration [DE- AC04- 94AL85000] FX This work was funded by the applied mathematics program at the United States Department of Energy and performed at Sandia National Laboratories, a multiprogram laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the United States Department of Energy's National Nuclear Security Administration under contract DE- AC04- 94AL85000. NR 14 TC 2 Z9 2 U1 0 U2 2 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-21286-4 J9 LECT NOTES COMPUT SC PY 2011 VL 6732 BP 38 EP 49 PG 12 WC Computer Science, Theory & Methods; Mathematics, Applied SC Computer Science; Mathematics GA BB3JX UT WOS:000342821200004 ER PT S AU Djidjev, HN Sommer, C AF Djidjev, Hristo N. Sommer, Christian BE Demetrescu, C Halldorsson, MM TI Approximate Distance Queries for Weighted Polyhedral Surfaces SO ALGORITHMS - ESA 2011 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 19th Annual European Symposium on Algorithms (ESA) CY SEP 05-09, 2011 CL Max Planck Inst Informat, Saarbrucken, GERMANY HO Max Planck Inst Informat ID SHORTEST PATHS; PLANAR DIGRAPHS; ORACLES; GRAPHS AB Let P be a planar polyhedral surface consisting of n triangular faces, each assigned with a positive weight. The weight of a path p on P is defined as the weighted sum of the Euclidean lengths of the portions of p in each face multiplied by the corresponding face weights. We show that, for every epsilon is an element of (0, 1), there exists a data structure, termed distance oracle, computable in time O(n epsilon(-2) log(3) (n/epsilon) log(2) (1/epsilon)) and of size O(n epsilon(-3/2) log(2) (n/epsilon) log(1/epsilon)), such that (1+epsilon)-approximate distance queries in P can be answered in time O(epsilon(-1) log(1/epsilon) + log log n). As in previous work (Aleksandrov, Maheshwari, and Sack (J. ACM 2005) and others), the big-O notation hides constants depending logarithmically on the ratio of the largest and smallest face weights and reciprocally on the sine of the smallest angle of P. The tradeoff between space and query time of our distance oracle is a significant improvement in terms of n over the previous best tradeoff obtained by a distance oracle of Aleksandrov, Djidjev, Guo, Maheshwari, Nussbaum, and Sack (Discrete Comput. Geom. 2010), which requires space roughly quadratic in n for a comparable query time. C1 [Djidjev, Hristo N.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Sommer, Christian] MIT, Cambridge, MA 02139 USA. RP Djidjev, HN (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 15 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-23719-5 J9 LECT NOTES COMPUT SC PY 2011 VL 6942 BP 579 EP 590 PG 12 WC Computer Science, Theory & Methods; Mathematics, Applied SC Computer Science; Mathematics GA BB3KV UT WOS:000342826700049 ER PT J AU Silbergeld, EK Contreras, EQ Hartung, T Hirsch, C Hogberg, H Jachak, AC Jordan, W Landsiedel, R Morris, J Patri, A Pounds, JG Ruiz, AD Shvedova, A Tanguay, R Tatarazako, N van Vliet, E Walker, NJ Wiesner, M Wilcox, N Zurlo, J AF Silbergeld, Ellen K. Contreras, Elizabeth Q. Hartung, Thomas Hirsch, Cordula Hogberg, Helena Jachak, Ashish C. Jordan, William Landsiedel, Robert Morris, Jeffery Patri, Anil Pounds, Joel G. de Vizcaya Ruiz, Andrea Shvedova, Anna Tanguay, Robert Tatarazako, Norihasa van Vliet, Erwin Walker, Nigel J. Wiesner, Mark Wilcox, Neil Zurlo, Joanne TI Nanotoxicology: "The End of the Beginning" - Signs on the Roadmap to a Strategy for Assuring the Safe Application and Use of Nanomaterials SO ALTEX-ALTERNATIVES TO ANIMAL EXPERIMENTATION LA English DT Article DE nanomaterials; nanotoxicology; alternative methods; 3Rs; Tox-21c AB In October 2010, a group of experts met as part of the transatlantic think tank for toxicology (t(4)) to exchange ideas about the current status and future of safety testing of nanomaterials. At present, there is no widely accepted path forward to assure appropriate and effective hazard identification for engineered nanomaterials. The group discussed needs for characterization of nanomaterials and identified testing protocols that incorporate the use of innovative alternative whole models such as zebrafish or C. elegans, as well as in vitro or alternative methods to examine specific functional pathways and modes of action. The group proposed elements of a potential testing scheme for nanomaterials that works towards an integrated testing strategy, incorporating the goals of the NRC report Toxicity Testing in the 21(st) Century: A Vision and a Strategy by focusing on pathways of toxic response, and utilizing an evidence-based strategy for developing the knowledge base for safety assessment. Finally, the group recommended that a reliable, open, curated database be developed that interfaces with existing databases to enable sharing of information. C1 [Silbergeld, Ellen K.; Jachak, Ashish C.] Johns Hopkins Bloomberg Sch Publ Hlth, Dept Environm Hlth Sci, Baltimore, MD USA. [Contreras, Elizabeth Q.] Rice Univ, Dept Chem, Houston, TX USA. [Hartung, Thomas; Hogberg, Helena; van Vliet, Erwin; Zurlo, Joanne] Johns Hopkins Bloomberg Sch Publ Hlth, Ctr Alternat Anim Testing, Baltimore, MD USA. [Hirsch, Cordula] Empa Swiss Fed Labs Mat Sci & Technol, St Gallen, Switzerland. [Jordan, William; Morris, Jeffery] US EPA, Washington, DC 20460 USA. [Landsiedel, Robert] BASF, Ludwigshafen, Germany. [Patri, Anil] NCI, Nanotechnol Characterizat Lab, NIH, Frederick, MD 21701 USA. [Pounds, Joel G.] Pacific NW Natl Lab, Richland, WA 99352 USA. [de Vizcaya Ruiz, Andrea] CINVESTAV, Mexico City 14000, DF, Mexico. [Shvedova, Anna] CDC, Natl Inst Occupat Safety & Hlth, Morgantown, WV USA. [Tanguay, Robert] Oregon State Univ, Dept Environm & Mol Toxicol, Corvallis, OR 97331 USA. [Tatarazako, Norihasa] Natl Inst Environm Sci, Tsukuba, Ibaraki, Japan. [Walker, Nigel J.] Natl Inst Environm Hlth Sci, Res Triangle Pk, NC USA. [Walker, Nigel J.] NIEHS, Natl Toxicol Program, Res Triangle Pk, NC 27709 USA. [Wiesner, Mark] Duke Univ, Dept Civil & Environm Engn, Durham, NC 27706 USA. [Wilcox, Neil] US FDA, Off Cosmet & Colors, Ctr Food Safety & Appl Nutr, College Pk, MD USA. RP Zurlo, J (reprint author), Johns Hopkins Ctr Alternat Anim Testing, 615 N Wolfe St,W7032, Baltimore, MD 21205 USA. EM jzurlo@jhsph.edu RI Landsiedel, Robert/D-1960-2012; Walker, Nigel/D-6583-2012; Nanotechnology Characterization Lab, NCL/K-8454-2012 OI Landsiedel, Robert/0000-0003-3756-1904; Walker, Nigel/0000-0002-9111-6855; FU Doerenkamp-Zbinden Foundation FX We thank the Doerenkamp-Zbinden Foundation for sponsoring this workshop as part of the t4 activities. NR 5 TC 10 Z9 10 U1 1 U2 11 PU SPEKTRUM AKAD VERLAG PI HEIDELBERG PA SLEVOGTSTRASSE 3-5, D-69126 HEIDELBERG, GERMANY SN 1868-596X J9 ALTEX-ALTERN ANIM EX JI ALTEX-Altern. Anim. Exp. PY 2011 VL 28 IS 3 BP 236 EP 241 PG 6 WC Instruments & Instrumentation; Medicine, Research & Experimental SC Instruments & Instrumentation; Research & Experimental Medicine GA 829IZ UT WOS:000295573100006 PM 21993959 ER PT S AU Chun, W Waldo, GS Johnson, GVW AF Chun, Wanjoo Waldo, Geoffrey S. Johnson, Gail V. W. BE Roberson, ED TI Split GFP Complementation Assay for Quantitative Measurement of Tau Aggregation In Situ SO ALZHEIMER'S DISEASE AND FRONTOTEMPORAL DEMENTIA: METHODS AND PROTOCOLS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Split GFP complementation; Tau; Aggregation; GSK3 beta ID PAIRED HELICAL FILAMENTS; MOUSE MODEL; PROTEIN-TAU; COMPONENT; DISEASE AB A primary pathological hallmark of Alzheimer disease brain is the presence of neurofibrillary tangles, which arc highly aggregated and insoluble accumulations of the microtubule-associated protein tau. Although it is becoming increasingly apparent that the mature neurofibrillary tangles are not the toxic species, intermediates between soluble tau and the neurofibrillary tangles likely play key roles in the neurodegenerative process. Therefore, it is critically important to be able to quantitatively monitor the process of tau aggregation in living cells in order to understand the evolution of tau from its physiological to its pathological forms. To detect and quantitate the aggregation of tau in cells, we established a split green fluorescent protein (GFP) complementation assay. In this assay, GFP is separated into two spontaneously associating fragments that form the fluorescent fluorophore. The smaller GET fragment, GFP(11), is fused to tau and coexpressed in cells with the larger fragment GFP(1-10) leading to the association and reconstitution of the active fluorophore. However, if tau becomes partitioned into aggregates, the GFP(11) tag will be less accessible for interactions with GFP(1-10) resulting in a decrease in GFP complementation and fluorescence which can be monitored either using fluorescence microscopy or with a fluorescence plate reader. Thus, this assay is a valuable tool for measuring tau aggregation in living cells and evaluating factors that modulate this process. C1 [Chun, Wanjoo] Kangwon Natl Univ, Dept Pharmacol, Coll Med, Chunchon, South Korea. [Johnson, Gail V. W.] Univ Rochester, Med Ctr, Dept Anesthesiol, Rochester, NY 14642 USA. [Waldo, Geoffrey S.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA. RP Chun, W (reprint author), Kangwon Natl Univ, Dept Pharmacol, Coll Med, Chunchon, South Korea. RI Johnson, Gail/K-4723-2012 OI Johnson, Gail/0000-0003-3464-0404 FU NINDS NIH HHS [NS051279] NR 13 TC 5 Z9 6 U1 1 U2 3 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-60761-743-3 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2011 VL 670 BP 109 EP 123 DI 10.1007/978-1-60761-744-0_9 D2 10.1007/978-1-60761-744-0 PG 15 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BRY60 UT WOS:000283904200009 PM 20967587 ER PT J AU Wang, ZW Lee, SH Elkins, JG Morrell-Falvey, JL AF Wang, Zhi-Wu Lee, Seung-Hwan Elkins, James G. Morrell-Falvey, Jennifer L. TI Spatial and temporal dynamics of cellulose degradation and biofilm formation by Caldicellulosiruptor obsidiansis and Clostridium thermocellum SO AMB EXPRESS LA English DT Article DE biofilm; thermophile; cellulosome; cellulose AB Cellulose degradation is one of the major bottlenecks of a consolidated bioprocess that employs cellulolytic bacterial cells as catalysts to produce biofuels from cellulosic biomass. In this study, we investigated the spatial and temporal dynamics of cellulose degradation by Caldicellulosiruptfor obsidiansis, which does not produce cellulosomes, and Clostridium thermocellum, which does produce cellulosomes. Results showed that the degradation of either regenerated or natural cellulose was synchronized with biofilm formation, a process characterized by the formation and fusion of numerous crater-like depressions on the cellulose surface. In addition, the dynamics of biofilm formation were similar in both bacteria, regardless of cellulosome production. Only the areas of cellulose surface colonized by microbes were significantly degraded, highlighting the essential role of the cellulolytic biofilm in cellulose utilization. After initial attachment, the microbial biofilm structure remained thin, uniform and dense throughout the experiment. A cellular automaton model, constructed under the assumption that the attached cells divide and produce daughter cells that contribute to the hydrolysis of the adjacent cellulose, can largely simulate the observed process of biofilm formation and cellulose degradation. This study presents a model, based on direct observation, correlating cellulolytic biofilm formation with cellulose degradation. C1 [Wang, Zhi-Wu; Elkins, James G.; Morrell-Falvey, Jennifer L.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Biosci Div, Oak Ridge, TN 37831 USA. [Lee, Seung-Hwan] Natl Inst Adv Ind Sci & Technol, Biomass Technol Res Ctr, Hiroshima, Japan. RP Morrell-Falvey, JL (reprint author), Oak Ridge Natl Lab, BioEnergy Sci Ctr, Biosci Div, Oak Ridge, TN 37831 USA. EM morrelljl1@ornl.gov RI Morrell-Falvey, Jennifer/A-6615-2011; OI Morrell-Falvey, Jennifer/0000-0002-9362-7528; Elkins, James G./0000-0002-8052-5688 FU BioEnergy Science Center (BESC); Office of Biological and Environmental Research in the DOE Office of Science; U.S. Department of Energy [DE-AC05-00OR22725] FX This work was supported by the BioEnergy Science Center (BESC), which is a U.S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract DE-AC05-00OR22725. NR 23 TC 14 Z9 14 U1 0 U2 17 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 2191-0855 J9 AMB EXPRESS JI AMB Express PY 2011 VL 1 AR 30 DI 10.1186/2191-0855-1-30 PG 10 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA V39XC UT WOS:000209442700030 PM 21982458 ER PT S AU Robinson, DB Buffleben, GM Kent, MS Zuckermann, RN AF Robinson, David B. Buffleben, George M. Kent, Michael S. Zuckermann, Ronald N. BE Nagarajan, R TI Artificial Polymers Mimic Bacteriophage Capsid Proteins To Protect and Functionalize Nucleic Acid Structures SO AMPHIPHILES: MOLECULAR ASSEMBLY AND APPLICATIONS SE ACS Symposium Series LA English DT Proceedings Paper CT Symposium on Surfactants and Amphiphilic Polymers: Fundamentals and Applications CY MAR 21-25, 2010 CL San Francisco, CA SP ACS, Div Colloid & Surface Chem ID TOBACCO-MOSAIC-VIRUS; N-SUBSTITUTED GLYCINES; AROMATIC SIDE-CHAINS; PEPTOID OLIGOMERS; FIBER DIFFRACTION; PHAGE DISPLAY; DNA; M13; REQUIREMENTS; MEMBRANE AB The filamentous bacteriophage m13 and related viruses encapsulate DNA with protein, forming an organic nanowire about 1 micrometer long and less then 10 nanometers wide. The length of the wire is formed from many copies of a single protein, which is a single alpha helix formed from about 50 amino acids. It can be viewed as a very sophisticated surfactant, with hydrophilic regions that interact with the DNA and form the outer surface, and hydrophobic regions that pack against each other. We have implemented these design principles in peptoids (sequence-specific N-functional glycine oligomers) and have found that they form aggregates with DNA that have adjustable properties. This approach may complement phage display methods, providing new approaches to gene transfection and nanofabrication that do not require expression in bacteria and that provide a wider range of chemical stability and functionality. C1 [Robinson, David B.; Buffleben, George M.] Sandia Natl Labs, Livermore, CA 94551 USA. [Kent, Michael S.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Zuckermann, Ronald N.] Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Robinson, DB (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM drobins@sandia.gov RI Zuckermann, Ronald/A-7606-2014 OI Zuckermann, Ronald/0000-0002-3055-8860 FU Laboratory-Directed Research; Development Program at Sandia National Laboratories; Sandia Corporation; Lockheed Martin Company; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Office of Science; Office of Basic Energy Sciences; U.S. Department of Energy [DE-ACO2-05CH11231] FX This work was supported by the Laboratory-Directed Research and Development Program at Sandia National Laboratories; a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. Work at the Molecular Foundry was supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-ACO2-05CH11231. NR 32 TC 0 Z9 0 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA SN 0097-6156 BN 978-0-8412-2650-0 J9 ACS SYM SER JI ACS Symp. Ser. PY 2011 VL 1070 BP 39 EP + PG 3 WC Polymer Science SC Polymer Science GA BDE85 UT WOS:000312968300003 ER PT S AU Adalsteinsson, T Fette, EV Pham, A Black, JK Tracy, LE Roche, CP Pesavento, JB AF Adalsteinsson, Thorsteinn Fette, E. V. Pham, A. Black, J. K. Tracy, L. E. Roche, C. P. Pesavento, J. B. BE Nagarajan, R TI Synthesis of Oil Core/Polymer-Shell Particles via Miniemulsion Templating SO AMPHIPHILES: MOLECULAR ASSEMBLY AND APPLICATIONS SE ACS Symposium Series LA English DT Proceedings Paper CT Symposium on Surfactants and Amphiphilic Polymers: Fundamentals and Applications CY MAR 21-25, 2010 CL San Francisco, CA SP ACS, Div Colloid & Surface Chem ID HOMOGENEOUS NUCLEATION; POLYMERIC NANOCAPSULES; CRYSTALLIZATION; DROPLETS; HEXADECANE; EMULSIONS; WATER; TRANSITIONS; KINETICS; SYSTEMS AB Studies of sub-micron-sized polymer-core/shell particles, or polymer nanocapsules, where the capsule core consists of a liquid hydrocarbon are discussed. The capsules are prepared via a one-step, miniemulsion polymerization procedure. The capsule stability and the effect of droplet size and the polymer/oil interfacial tension are investigated using differential scanning calorimetry. Changes in the integrity of the polymer shell can be observed by measuring the solidus temperature of the encapsulated n-hexadecane. The type of polymer and volume of the oil droplet also affect the solidus temperature. We observe a limited agreement with the Gibbs-Thomson equation. C1 [Adalsteinsson, Thorsteinn; Fette, E. V.; Pham, A.; Black, J. K.; Tracy, L. E.; Roche, C. P.] Santa Clara Univ, Dept Chem & Biochem, Santa Clara, CA 95053 USA. [Adalsteinsson, Thorsteinn] Santa Clara Univ, Ctr Nanostruct, Santa Clara, CA 95053 USA. [Pesavento, J. B.] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Adalsteinsson, T (reprint author), Santa Clara Univ, Dept Chem & Biochem, Santa Clara, CA 95053 USA. EM Tadalsteinsson@scu.edu NR 31 TC 0 Z9 0 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA SN 0097-6156 BN 978-0-8412-2650-0 J9 ACS SYM SER JI ACS Symp. Ser. PY 2011 VL 1070 BP 277 EP + PG 4 WC Polymer Science SC Polymer Science GA BDE85 UT WOS:000312968300017 ER PT S AU Vaniman, D Chipera, S Brownholland, K Bish, D AF Vaniman, David Chipera, Steve Brownholland, Kari Bish, David BE Garry, WB Bleacher, JE TI The Todilto Formation as an analog of short-lived Martian flood evaporites SO ANALOGS FOR PLANETARY EXPLORATION SE Geological Society of America Special Papers LA English DT Article; Book Chapter ID SAN-JUAN BASIN; MERIDIANI-PLANUM; NEW-MEXICO; BURNS FORMATION; EARLY MARS; IDENTIFICATION; ANHYDRITE; WATER; ROVER; SEDIMENTOLOGY AB The Jurassic Todilto Formation of NW New Mexico and SW Colorado, USA, has utility as an analog of Martian flood evaporites. The Todilto Formation is a concentrically and vertically zoned carbonate (calcite with minor late dolomite) to sulfate (gypsum) evaporite deposit that developed over a short time span (10(4)-10(5) yr) after rapid flooding of the vast dune field of the Entrada Formation. Within the limits of the very different hydrogeologic environments of Mars and Earth, the Todilto setting of short-lived brine evolution in a largely eolian environment, with terminal formation of a salt hydrate common to both planets (gypsum), provides a useful field area for descriptive and petrogenetic studies of evaporite evolution and interaction with a porous, sandy substrate. The Todilto Formation has an added feature of interest in its association with bituminous materials that have likely microbial precursors, providing a brine-microorganism association that may represent a potential setting for primitive life as might be found on Mars. C1 [Vaniman, David] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Chipera, Steve] Chesapeake Energy Corp, Oklahoma City, OK 73118 USA. [Brownholland, Kari] Centenary Coll Louisiana, Shreveport, LA 71104 USA. [Bish, David] Indiana Univ, Dept Geol Sci, Bloomington, IN 47405 USA. RP Vaniman, D (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 50 TC 0 Z9 0 U1 0 U2 0 PU GEOLOGICAL SOC AMER INC PI BOULDER PA 3300 PENROSE PL, PO BOX 9140, BOULDER, CO 80301 USA SN 0072-1077 BN 978-0-8137-2483-6 J9 GEOL SOC AM SPEC PAP PY 2011 VL 483 BP 219 EP 230 DI 10.1130/2011.2483(14) D2 10.1130/9780813724836 PG 12 WC Astronomy & Astrophysics; Geosciences, Multidisciplinary SC Astronomy & Astrophysics; Geology GA BHX33 UT WOS:000326925100015 ER PT J AU Hatab, NA Rouleau, CM Retterer, ST Eres, G Hatzinger, PB Gu, BH AF Hatab, Nahla A. Rouleau, C. M. Retterer, Scott T. Eres, Gyula Hatzinger, Paul B. Gu, Baohua TI An integrated portable Raman sensor with nanofabricated gold bowtie array substrates for energetics detection SO ANALYST LA English DT Article ID PERCHLORATE DETECTION; SILVER NANOPARTICLES; ENVIRONMENTAL-ANALYSIS; SPECTROSCOPY; SCATTERING; EXPLOSIVES; WATER; SERS; ANIONS AB An integrated field-portable surface enhanced Raman scattering (SERS) sensing system has been developed and evaluated for quantitative analysis of energetics such as perchlorate (ClO4-) and trinitrotoluene (TNT) at environmentally relevant concentrations and conditions. The detection system consists of a portable Raman spectrometer equipped with an optical fiber probe that is coupled with novel elevated gold bowtie nanostructural arrays as a sensitive and reproducible SERS substrate. Using the standard addition technique, we show that ClO4- and TNT can be quantified at concentrations as low as 0.66 mg L-1 (or similar to 6.6 mu M) and 0.20 mg L-1 (similar to 0.9 mu M), respectively, in groundwater samples collected from selected military sites. This research represents the first step toward the development of a field SERS sensor which may permit rapid, in situ screening and analysis for various applications including national security, chemical, biological and environmental detection. C1 [Hatab, Nahla A.; Gu, Baohua] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Rouleau, C. M.; Eres, Gyula] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Retterer, Scott T.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Hatzinger, Paul B.] Shaw Environm Inc, Lawrenceville, NJ 08648 USA. RP Hatab, NA (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. EM abuhatabna@ornl.gov; gub1@ornl.gov RI Gu, Baohua/B-9511-2012; Retterer, Scott/A-5256-2011; Rouleau, Christopher/Q-2737-2015; Eres, Gyula/C-4656-2017 OI Gu, Baohua/0000-0002-7299-2956; Retterer, Scott/0000-0001-8534-1979; Rouleau, Christopher/0000-0002-5488-3537; Eres, Gyula/0000-0003-2690-5214 FU U.S. Department of Defense; Center for Nanophase Materials Sciences (CNMS); Office of Basic Energy Sciences, US Department of Energy; US Department of Energy [DE-AC05-00OR22725] FX This research was supported by the Strategic Environmental Research and Development Program (SERDP) of the U.S. Department of Defense, and performed in part at the Center for Nanophase Materials Sciences (CNMS), which is sponsored at Oak Ridge National Laboratory (ORNL) by the Office of Basic Energy Sciences, US Department of Energy. ORNL is managed by UT-Battelle, LLC for the US Department of Energy under contract DE-AC05-00OR22725. NR 44 TC 13 Z9 13 U1 4 U2 39 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0003-2654 EI 1364-5528 J9 ANALYST JI Analyst PY 2011 VL 136 IS 8 BP 1697 EP 1702 DI 10.1039/c0an00982b PG 6 WC Chemistry, Analytical SC Chemistry GA 741LA UT WOS:000288864000024 PM 21373687 ER PT J AU Meyer, MW Smith, EA AF Meyer, Matthew W. Smith, Emily A. TI Optimization of silver nanoparticles for surface enhanced Raman spectroscopy of structurally diverse analytes using visible and near-infrared excitation SO ANALYST LA English DT Article ID METAL NANOPARTICLES; SCATTERING ACTIVITY; SERS; MOLECULE; COLLOIDS; MORPHOLOGY; REDUCTION; CITRATE; AG; HYDROXYLAMINE AB Several experimental parameters affecting surface enhanced Raman (SER) signals using 488, 785 and 1064 nm excitation for eight diverse analytes are reported. Citrate reduced silver colloids having average diameters ranging from 40 +/- 10 to 100 +/- 20 nm were synthesized. The nanoparticles were characterized by transmission electron microscopy, dynamic light scattering and absorbance spectrophotometry before and after inducing nanoparticle aggregation with 0.99% v/v 0.5 M magnesium chloride. The nanoparticle aggregates and SERS signal were stable between 30 and 90 minutes after inducing aggregation. For the analytes 4-mercaptopyridine, 4-methylthiobenzoic acid and the dipeptide phenylalanine-cysteine using all three excitation wavelengths, the highest surface area adjusted SER signal was obtained using 70 +/- 20 nm nanoparticles, which generated 290 +/- 40 nm aggregates with the addition of magnesium chloride. The decrease in the SER signal using non-optimum colloids was 12 to 42% using 488 nm excitation and larger decreases in signal, up to 92%, were observed using near infrared excitation wavelengths. In contrast, pyridine, benzoic acid, and phenylalanine required 220 +/- 30 nm aggregates for the highest SER signal with 785 or 1064 nm excitation, but larger aggregates (290 +/- 40 nm) were required with 488 nm excitation. The optimum experimental conditions measured with the small molecule analytes held for a 10 amino acid peptide and hemoglobin. Reproducible SERS measurements with 2 to 9% RSD have been obtained by considering nanoparticle size, aggregation conditions, excitation wavelength and the nature of the analyte-silver interaction. C1 [Meyer, Matthew W.; Smith, Emily A.] US DOE, Ames Lab, Ames, IA 50011 USA. [Meyer, Matthew W.; Smith, Emily A.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Smith, EA (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM esmith1@iastate.edu OI Smith, Emily/0000-0001-7438-7808 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory; Iowa State University [DE-AC02-07CH11358] FX This research is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. NR 40 TC 22 Z9 22 U1 4 U2 42 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0003-2654 EI 1364-5528 J9 ANALYST JI Analyst PY 2011 VL 136 IS 17 BP 3542 EP 3549 DI 10.1039/c0an00851f PG 8 WC Chemistry, Analytical SC Chemistry GA 804HF UT WOS:000293644200020 PM 21301711 ER PT J AU Wheeler, EK Hara, CA Frank, J Deotte, J Hall, SB Benett, W Spadaccini, C Beer, NR AF Wheeler, E. K. Hara, C. A. Frank, J. Deotte, J. Hall, S. B. Benett, W. Spadaccini, C. Beer, N. R. TI Under-three minute PCR: Probing the limits of fast amplification SO ANALYST LA English DT Article ID POLYMERASE-CHAIN-REACTION; NUCLEIC-ACID AMPLIFICATION; REAL-TIME; PICOLITER DROPLETS; DNA AMPLIFICATION; IN-VITRO; ON-CHIP AB Nucleic acid amplification is enormously useful to the biotechnology and clinical diagnostic communities; however, to date point-of-use PCR has been hindered by thermal cycling architectures and protocols that do not allow for near-instantaneous results. In this work we demonstrate PCR amplification of synthetic SARS respiratory pathogenic targets and bacterial genomic DNA in less than three minutes in a hardware configuration utilizing convenient sample loading and disposal. Instead of sample miniaturization techniques, near-instantaneous heating and cooling of 5 mu L reaction volumes is enabled by convective heat transfer of a thermal fluid through porous media combined with an integrated electrical heater. This method of rapid heat transfer has enabled 30 cycles of PCR amplification to be completed in as little as two minutes and eighteen seconds. Surprisingly, multiple enzymes have been shown to work at these breakthrough speeds on our system. A tool for measuring enzyme kinetics now exists and can allow polymerase optimization through directed evolution studies. Pairing this instrument technology with modified polymerases should result in a new paradigm for high-throughput, ultra-fast PCR and will hopefully improve our ability to quickly respond to the next viral pandemic. C1 [Wheeler, E. K.; Hara, C. A.; Frank, J.; Deotte, J.; Hall, S. B.; Benett, W.; Spadaccini, C.; Beer, N. R.] Lawrence Livermore Natl Lab, Ctr Micro & Nano Technol, Livermore, CA 94550 USA. RP Beer, NR (reprint author), Lawrence Livermore Natl Lab, Ctr Micro & Nano Technol, Livermore, CA 94550 USA. FU DARPA; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This project was partially funded by a grant from DARPA. Wayne Jensen and James Embree are thanked for their innovations in manufacturing the novel plastic inserts. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 26 TC 34 Z9 36 U1 7 U2 35 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0003-2654 EI 1364-5528 J9 ANALYST JI Analyst PY 2011 VL 136 IS 18 BP 3707 EP 3712 DI 10.1039/c1an15365j PG 6 WC Chemistry, Analytical SC Chemistry GA 810KD UT WOS:000294123300020 PM 21796289 ER PT J AU Shvartsburg, AA Smith, RD AF Shvartsburg, Alexandre A. Smith, Richard D. TI Ultrahigh-Resolution Differential Ion Mobility Spectrometry Using Extended Separation Times SO ANALYTICAL CHEMISTRY LA English DT Article ID GAS-PHASE SEPARATIONS; MASS-SPECTROMETRY; UBIQUITIN CONFORMERS; PEPTIDE ISOMERS; DYNAMIC-RANGE; FIELD; SENSITIVITY; ANALYZERS; IONIZATION; THROUGHPUT AB Ion mobility spectrometry (IMS), and particularly differential IMS or field asymmetric waveform IMS (FAIMS), is emerging as a versatile tool for separation and identification of gas. phase ions, especially in conjunction with mass spectrometry. For over two decades since its inception, the utility of FAIMS was constrained by resolving power (R) of less than similar to 20. Stronger electric fields and optimized gas mixtures have recently raised achievable R to similar to 200, but further progress with such approaches is impeded by electrical breakdown. However, the resolving power of planar FAIMS devices using any gas and field intensity scales as the square root of separation time (t). Here, we extended t from the previous maximum of 0.2 s up to 4-fold by reducing the carrier gas flow and increased the resolving power by up to 2-fold as predicted, to >300 for multiply charged peptides. The resulting resolution gain has enabled separation of previously "co-eluting" peptide isomers, including folding conformers and localization variants of modified peptides. More broadly, a peak capacity of similar to 200 has been reached in tryptic digest separations. C1 [Shvartsburg, Alexandre A.; Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. RP Shvartsburg, AA (reprint author), Pacific NW Natl Lab, Div Biol Sci, POB 999, Richland, WA 99352 USA. RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU Battelle; NIH NCRR [RR18522] FX We thank Ron Moore, Therese Clauss, Dr. Keqi Tang, and Dr. Matt Monroe for aid in the experiments and data analysis and Dr. Andrew Creese and Prof. Helen Cooper (Univ. of Birmingham, U.K) for sharing the phosphopeptide samples. Portions of this research were supported by Battelle and NIH NCRR (Grant RR18522 to R.D.S.). The work was performed in the Environmental Molecular Sciences Laboratory, a DoE-BER user facility at PNNL. NR 49 TC 31 Z9 31 U1 2 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD JAN 1 PY 2011 VL 83 IS 1 BP 23 EP 29 DI 10.1021/ac102689p PG 7 WC Chemistry, Analytical SC Chemistry GA 698DB UT WOS:000285570600006 PM 21117630 ER PT J AU Yang, ZY Seefeldt, LC Dean, DR Cramer, SP George, SJ AF Yang, Zhi-Yong Seefeldt, Lance C. Dean, Dennis R. Cramer, Stephen P. George, Simon J. TI Steric Control of the Hi-CO MoFe Nitrogenase Complex Revealed by Stopped-Flow Infrared Spectroscopy SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE carbon monoxide; metalloenzymes; nitrogen fixation; nitrogenases; stopped-flow spectroscopy ID FEMO-COFACTOR; CARBON-MONOXIDE; DEPENDENT NITROGENASE; SUBSTRATE INTERACTION; BINDING; PROTEIN; MECHANISM; INHIBITION; INTERMEDIATE; LOCALIZATION C1 [Cramer, Stephen P.; George, Simon J.] Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. [Cramer, Stephen P.; George, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Biol & Environm Xray Facil, Berkeley, CA 94720 USA. [Yang, Zhi-Yong; Seefeldt, Lance C.] Utah State Univ, Dept Chem & Biochem, Logan, UT 84322 USA. [Dean, Dennis R.] Virginia Polytech Inst & State Univ, Dept Biochem, Blacksburg, VA 24061 USA. RP George, SJ (reprint author), Univ Calif Davis, Dept Appl Sci, 1 Shields Ave, Davis, CA 95616 USA. EM sjgeorge@ucdavis.edu RI Yang, Zhiyong/E-7834-2013 OI Yang, Zhiyong/0000-0001-8186-9450 FU NIH [GM-65440, GM-59087]; NSF [CHE-0745353]; DOE Office of Biological and Environmental Research FX This work was funded by the NIH (GM-65440; S. P. C. and GM-59087; L. C. S. and D. R. D.), the NSF (CHE-0745353; S. P. C.), and the DOE Office of Biological and Environmental Research (S. P. C.). The authors thank Celestine Grady-Smith for experimental assistance. NR 24 TC 16 Z9 17 U1 2 U2 21 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 1 BP 272 EP 275 DI 10.1002/anie.201005145 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 702KB UT WOS:000285891900024 PM 21120978 ER PT J AU Halder, GJ Chapman, KW Schlueter, JA Manson, JL AF Halder, Gregory J. Chapman, Karena W. Schlueter, John A. Manson, Jamie L. TI Pressure-Induced Sequential Orbital Reorientation in a Magnetic Framework Material SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE coordination frameworks; high-pressure chemistry; Jahn-Teller distortion; magnetic properties; X-ray diffraction ID THERMAL-EXPANSION; CRYSTAL; SALT C1 [Halder, Gregory J.; Schlueter, John A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Manson, Jamie L.] Eastern Washington Univ, Dept Chem & Biochem, Spokane, WA USA. [Halder, Gregory J.; Chapman, Karena W.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Halder, GJ (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM halder@aps.anl.gov RI Chapman, Karena/G-5424-2012; Halder, Gregory/C-5357-2013 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; NSF-Earth Sciences [EAR-0622171]; DOE-Geo-sciences [DE-FG02-94ER14466]; National Science Foundation [DMR-1005825] FX Work performed at Argonne National Laboratory and use of the Advanced Photon Source were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Part of the pressure cell preparation used the GSECARS facility (Sector 13), Advanced Photon Source, Argonne National Laboratory. GSECARS is supported by the NSF-Earth Sciences (EAR-0622171) and DOE-Geo-sciences (DE-FG02-94ER14466). Work at EWU was partially supported by the National Science Foundation under Grant No. DMR-1005825. NR 16 TC 28 Z9 28 U1 1 U2 19 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 2 BP 419 EP 421 DI 10.1002/anie.201003380 PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 713HZ UT WOS:000286729300011 PM 20836108 ER PT J AU Huang, YL Xu, S Lin, VSY AF Huang, Yulin Xu, Shu Lin, Victor S. -Y. TI Bifunctionalized Mesoporous Materials with Site-Separated Bronsted Acids and Bases: Catalyst for a Two-Step Reaction Sequence SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE Bronsted acids; Henry reaction; hydrolysis; mesoporous materials; silica ID ORGANIC FUNCTIONAL-GROUPS; COOPERATIVE CATALYSIS; SILICA NANOPARTICLES; SELECTIVE FUNCTIONALIZATION; HETEROGENEOUS CATALYSIS; HYBRID MATERIALS; CHANNEL PORES; BASIC SITES; ONE-STEP; SURFACE C1 [Huang, Yulin; Xu, Shu; Lin, Victor S. -Y.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Huang, Yulin; Xu, Shu; Lin, Victor S. -Y.] US DOE, Ames Lab, Ames, IA 50011 USA. RP Huang, YL (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM ylhuang@iastate.edu FU U.S. DOE, office of BES [DE-AC02-07CH11358] FX This research at the Ames Laboratory was supported by the U.S. DOE, office of BES, under contract DE-AC02-07CH11358. We also thank Prof. Robert J. Angelici at Iowa State University for his suggestions concerning this work. NR 55 TC 79 Z9 81 U1 3 U2 63 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 3 BP 661 EP 664 DI 10.1002/anie.201004572 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 711FY UT WOS:000286573700014 PM 21226147 ER PT J AU Arnold, PL Hollis, E White, FJ Magnani, N Caciuffo, R Love, JB AF Arnold, Polly L. Hollis, Emmalina White, Fraser J. Magnani, Nicola Caciuffo, Roberto Love, Jason B. TI Single-Electron Uranyl Reduction by a Rare-Earth Cation SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE macrocycles; magnetic coupling; nitrogen ligands; single-electron reduction; uranyl complex ID SOLUTION COORDINATION; COMPLEX; STABILITY; CHEMISTRY; LIGANDS; URANIUM; ION; THF C1 [Arnold, Polly L.; Hollis, Emmalina; White, Fraser J.; Love, Jason B.] Univ Edinburgh, EaStCHEM Sch Chem, Edinburgh EH9 3JJ, Midlothian, Scotland. [Caciuffo, Roberto] Commiss European Communities, Joint Res Ctr, Inst Transuranium Elements, D-76125 Karlsruhe, Germany. [Magnani, Nicola] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Arnold, PL (reprint author), Univ Edinburgh, EaStCHEM Sch Chem, Joseph Black Bldg,Kings Buildings,W Mains Rd, Edinburgh EH9 3JJ, Midlothian, Scotland. EM polly.arnold@ed.ac.uk; jason.love@ed.ac.uk RI Arnold, Polly/E-6229-2011; OI Arnold, Polly/0000-0001-6410-5838; Caciuffo, Roberto G. M./0000-0002-8708-6219 FU EPSRC (UK); University of Edinburgh FX We thank Dr. E. K. Brechin for the magnetic measurements, and the EPSRC (UK) and the University of Edinburgh for funding. NR 29 TC 74 Z9 74 U1 1 U2 33 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 4 SI SI BP 887 EP 890 DI 10.1002/anie.201005511 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 718WQ UT WOS:000287157600016 PM 21246684 ER PT J AU Manson, JL Warter, ML Schlueter, JA Lancaster, T Steele, AJ Blundell, SJ Pratt, FL Singleton, J McDonald, RD Lee, C Whangbo, MH Plonczak, A AF Manson, Jamie L. Warter, Michelle L. Schlueter, John A. Lancaster, Tom Steele, Andrew J. Blundell, Stephen J. Pratt, Francis L. Singleton, John McDonald, Ross D. Lee, Changhoon Whangbo, Myung-Hwan Plonczak, Alex TI [Cu(HF2)(2)(pyrazine)](n): A Rectangular Antiferromagnetic Lattice with a Spin Exchange Path Made Up of Two Different FHF- Bridges SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE bifluoride ligands; bridging ligands; coordination polymers; copper; magnetic properties ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; MAGNETIC-PROPERTIES; STRUCTURAL-CHARACTERIZATION; NEUTRON-DIFFRACTION; LOW-TEMPERATURES; X-RAY; COMPLEXES; PYRAZINE; HEISENBERG C1 [Manson, Jamie L.; Warter, Michelle L.] Eastern Washington Univ, Dept Chem & Biochem, Cheney, WA 99004 USA. [Schlueter, John A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Lancaster, Tom; Steele, Andrew J.; Blundell, Stephen J.] Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. [Pratt, Francis L.] Rutherford Appleton Lab, ISIS Pulsed Muon Facil, Didcot OX11 0QX, Oxon, England. [Singleton, John; McDonald, Ross D.; Plonczak, Alex] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. [Lee, Changhoon; Whangbo, Myung-Hwan] N Carolina State Univ, Dept Chem, Raleigh, NC 27695 USA. RP Manson, JL (reprint author), Eastern Washington Univ, Dept Chem & Biochem, 526 5th St, Cheney, WA 99004 USA. EM jmanson@ewu.edu RI McDonald, Ross/H-3783-2013; OI McDonald, Ross/0000-0002-0188-1087; Mcdonald, Ross/0000-0002-5819-4739 FU National Science Foundation (NSF) [DMR-1005825, DMR-0654118]; Office of Basic Energy Sciences (BES), Division of Materials Sciences of the U.S. Department of Energy (DoE) [DE-AC02-06CH11357, DE-FG02-86ER45259]; State of Florida; U.S. DoE; EPSRC (UK) FX Work at EWU was supported by the National Science Foundation (NSF) under Grant No. DMR-1005825. Work at Argonne National Laboratory and North Carolina State University were supported by the Office of Basic Energy Sciences (BES), Division of Materials Sciences of the U.S. Department of Energy (DoE) under contract DE-AC02-06CH11357 and DE-FG02-86ER45259 and by the computing resources of the NERSC and HPC Centers. A portion of this work was performed at the National High Magnetic Field Laboratory, which is supported by the NSF Cooperative Agreement No. DMR-0654118, the State of Florida, and the U.S. DoE BES program "Science in 100 T." This work was also supported by the EPSRC (UK). We gratefully acknowledge C. Baines (PSI) for technical assistance. We thank C. P. Landee for helpful discussions. NR 40 TC 11 Z9 11 U1 0 U2 6 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 7 BP 1573 EP 1576 DI 10.1002/anie.201006653 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 718YP UT WOS:000287162900009 PM 21308907 ER PT J AU de Smit, E van Schooneveld, MM Cinquini, F Bluhm, H Sautet, P de Groot, FMF Weckhuysen, BM AF de Smit, Emiel van Schooneveld, Matti M. Cinquini, Fabrizio Bluhm, Hendrik Sautet, Phillippe de Groot, Frank M. F. Weckhuysen, Bert M. TI On the Surface Chemistry of Iron Oxides in Reactive Gas Atmospheres SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE heterogeneous catalysis; in situ spectroscopy; iron oxide; surface chemistry; X-ray photoelectron spectroscopy ID RAY PHOTOELECTRON-SPECTROSCOPY; FISCHER-TROPSCH CATALYSTS; HYDROGENATION CATALYSTS; PRESSURE; SIZE; TEMPERATURE; AMBIENT; PD C1 [de Smit, Emiel; van Schooneveld, Matti M.; de Groot, Frank M. F.; Weckhuysen, Bert M.] Univ Utrecht, Debye Inst Nanomat Sci, NL-3584 CA Utrecht, Netherlands. [Cinquini, Fabrizio; Sautet, Phillippe] Univ Lyon, Inst Chim Lyon, Chim Lab, F-69364 Lyon 07, France. [Cinquini, Fabrizio; Sautet, Phillippe] CNRS, F-69364 Lyon 07, France. [Bluhm, Hendrik] Ernest Orlando Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP de Groot, FMF (reprint author), Univ Utrecht, Debye Inst Nanomat Sci, Sorbonnelaan 16, NL-3584 CA Utrecht, Netherlands. EM f.m.f.degroot@uu.nl; b.m.weckhuysen@uu.nl RI Weckhuysen, Bert/D-3742-2009; de Smit, Emiel/C-4936-2009; van Schooneveld, Matti/B-6725-2008; de Groot, Frank/A-1918-2009; Sautet, Philippe/G-3710-2014; Institute (DINS), Debye/G-7730-2014 OI Weckhuysen, Bert/0000-0001-5245-1426; van Schooneveld, Matti/0000-0003-3729-9838; Sautet, Philippe/0000-0002-8444-3348; FU Shell Global Solutions; Dutch National Science Foundation; Netherlands Research School Combination on Catalysis (NRSC-C); Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231] FX Financial support is acknowledged from Shell Global Solutions (B.M.W.), the Dutch National Science Foundation (CW-NWO/VICI program) (F.M.F.d.G. and B.M.W.), and the Netherlands Research School Combination on Catalysis (NRSC-C) (B.M.W.). This work was performed at the Advanced Light Source (ALS) at the Lawrence Berkeley National Laboratory in Berkeley, USA. The ALS is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under Contract No. DE-AC02-05CH11231. P. Miedema and Dr. I. Gonzalez Jimenez (Utrecht University) are acknowledged for their help in XPS data acquisition. NR 22 TC 26 Z9 26 U1 7 U2 71 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 7 BP 1584 EP 1588 DI 10.1002/anie.201005282 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 718YP UT WOS:000287162900011 PM 21308910 ER PT J AU Magnani, N Apostolidis, C Morgenstern, A Colineau, E Griveau, JC Bolvin, H Walter, O Caciuffo, R AF Magnani, Nicola Apostolidis, Christos Morgenstern, Alfred Colineau, Eric Griveau, Jean-Christophe Bolvin, Helene Walter, Olaf Caciuffo, Roberto TI Magnetic Memory Effect in a Transuranic Mononuclear Complex SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE actinides; magnetic properties; neptunocene; sandwich complexes ID SINGLE-MOLECULE MAGNETS; RELAXATION; BIS(CYCLOOCTATETRAENYL)NEPTUNIUM(IV); LEVEL C1 [Apostolidis, Christos; Morgenstern, Alfred; Colineau, Eric; Griveau, Jean-Christophe; Caciuffo, Roberto] Commiss European Communities, Inst Transuranium Elements, Joint Res Ctr, D-76125 Karlsruhe, Germany. [Magnani, Nicola] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Actinide Chem Grp, Berkeley, CA 94720 USA. [Bolvin, Helene] Inst Chim Strasbourg, Lab Chim Quant, LC 3, UMR 7177, F-67000 Strasbourg, France. [Walter, Olaf] Forschungszentrum Karlsruhe, ITC CPV, D-76021 Karlsruhe, Germany. RP Caciuffo, R (reprint author), Commiss European Communities, Inst Transuranium Elements, Joint Res Ctr, POB 2340, D-76125 Karlsruhe, Germany. EM roberto.caciuffo@ec.europa.eu RI Bolvin, Helene/E-9965-2012; OI Bolvin, Helene/0000-0002-6302-7820; Caciuffo, Roberto G. M./0000-0002-8708-6219 FU European Commission under the ACTINET Network of Excellence [ACT-07-1] FX The European Commission is gratefully acknowledged for financial support under the project ACT-07-1 of the ACTINET Network of Excellence, and in the frame of the program "Training and Mobility of Researchers". NR 26 TC 89 Z9 90 U1 3 U2 45 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 7 BP 1696 EP 1698 DI 10.1002/anie.201006619 PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 718YP UT WOS:000287162900036 PM 21308935 ER PT J AU Manna, K Xu, SC Sadow, AD AF Manna, Kuntal Xu, Songchen Sadow, Aaron D. TI A Highly Enantioselective Zirconium Catalyst for Intramolecular Alkene Hydroamination: Significant Isotope Effects on Rate and Stereoselectivity SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE enantioselectivity; hydroamination; isotope effects; oxazolines; pyrrolidines ID ASYMMETRIC HYDROAMINATION; METAL-CATALYSTS; COMPLEXES; MECHANISM; AMINOALKENE; CYCLIZATION; OLEFINS; ALKYNES C1 [Manna, Kuntal; Xu, Songchen; Sadow, Aaron D.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Manna, Kuntal; Xu, Songchen; Sadow, Aaron D.] Iowa State Univ, Ames Lab, Ames, IA USA. RP Sadow, AD (reprint author), Iowa State Univ, Dept Chem, 1605 Gilman Hall, Ames, IA 50011 USA. EM sadow@iastate.edu FU U.S. DOE Office of Basic Energy Science [DE-AC02CH11358] FX Dr. A. Bakac is thanked for valuable discussions about kinetics and Dr. M. Jeffries-EL is thanked for assistance with HPLC analysis. The U.S. DOE Office of Basic Energy Science (DE-AC02CH11358) is acknowledged for support of the mechanistic studies. A.D.S. is an Alfred P. Sloan Research Fellow. NR 27 TC 80 Z9 80 U1 3 U2 33 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 8 BP 1865 EP 1868 DI 10.1002/anie.201006163 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 727XJ UT WOS:000287836200022 PM 21328658 ER PT J AU Karakoti, AS Das, S Thevuthasan, S Seal, S AF Karakoti, Ajay S. Das, Soumen Thevuthasan, Suntharampillai Seal, Sudipta TI PEGylated Inorganic Nanoparticles SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Review DE metal oxides; nanoparticles; nanotherapeutics; PEGylation; surface modification ID AQUEOUS BIPHASIC SYSTEMS; IRON-OXIDE NANOPARTICLES; FUNCTIONALIZED CARBON NANOTUBES; SOLVATION ENERGY RELATIONSHIP; COATED GOLD NANOPARTICLES; QUANTUM-DOT NANOPARTICLES; IN-VIVO BIODISTRIBUTION; DRUG-DELIVERY SYSTEMS; POLYETHYLENE-GLYCOL; POLY(ETHYLENE GLYCOL) C1 [Das, Soumen; Seal, Sudipta] Univ Cent Florida, NanoSci & Technol Ctr, Orlando, FL 32816 USA. [Karakoti, Ajay S.; Thevuthasan, Suntharampillai] PNNL, Environm & Mol Sci Lab, Richland, WA USA. [Seal, Sudipta] Univ Cent Florida, Adv Mat Proc & Anal Ctr, Orlando, FL 32816 USA. RP Seal, S (reprint author), Univ Cent Florida, NanoSci & Technol Ctr, Orlando, FL 32816 USA. FU National Science Foundation (NSF) [NIRT: 0708172]; U.S. DOE by Battelle Memorial Institute [DE-AC06-76RLO 1830] FX The authors thank National Science Foundation (NSF NIRT: 0708172) for funding the nanotechnology research. Portions of this work were performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility located at Pacific Northwest National Laboratory (PNNL), and supported by the U. S. Department of Energy's Office of Biological and Environmental Research. PNNL is a multiprogram national laboratory operated for the U.S. DOE by Battelle Memorial Institute under contract No. DE-AC06-76RLO 1830. NR 140 TC 242 Z9 243 U1 21 U2 198 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 9 BP 1980 EP 1994 DI 10.1002/anie.201002969 PG 15 WC Chemistry, Multidisciplinary SC Chemistry GA 730LR UT WOS:000288035300003 PM 21275011 ER PT J AU Porsgaard, S Jiang, P Borondics, F Wendt, S Liu, Z Bluhm, H Besenbacher, F Salmeron, M AF Porsgaard, Soeren Jiang, Peng Borondics, Ferenc Wendt, Stefan Liu, Zhi Bluhm, Hendrik Besenbacher, Flemming Salmeron, Miquel TI Charge State of Gold Nanoparticles Supported on Titania under Oxygen Pressure SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE charge transfer; gold; nanoparticles; photoelectron spectroscopy; supported catalysts ID PHOTOELECTRON-SPECTROSCOPY; CATALYTIC-ACTIVITY; MOLECULAR-OXYGEN; AMBIENT-PRESSURE; ROOM-TEMPERATURE; CO OXIDATION; TIO2(110); SURFACE; CHEMISORPTION; CHEMISTRY C1 [Jiang, Peng; Salmeron, Miquel] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Porsgaard, Soeren; Wendt, Stefan; Besenbacher, Flemming] Aarhus Univ, Interdisciplinary Nanosci Ctr iNANO, DK-8000 Aarhus C, Denmark. [Borondics, Ferenc; Bluhm, Hendrik] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Liu, Zhi] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Salmeron, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM mbsalmeron@lbl.gov RI Liu, Zhi/B-3642-2009; Borondics, Ferenc/A-7616-2008 OI Liu, Zhi/0000-0002-8973-6561; FU Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, under the Department of Energy Contract No. DE-AC02-05CH11231. NR 28 TC 25 Z9 25 U1 2 U2 30 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 10 BP 2266 EP 2269 DI 10.1002/anie.201005377 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 730MB UT WOS:000288036300009 PM 21351333 ER PT J AU Peng, S Lei, CH Ren, Y Cook, RE Sun, YG AF Peng, Sheng Lei, Changhui Ren, Yang Cook, Russell E. Sun, Yugang TI Plasmonic/Magnetic Bifunctional Nanoparticles SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE iron oxide; magnetic properties; nanoparticles; silver; surface plasmon resonance ID MULTIFUNCTIONAL MAGNETIC NANOPARTICLES; HOLLOW FE3O4 NANOPARTICLES; BIOMEDICAL APPLICATIONS; AU-FE3O4 NANOPARTICLES; SHELL NANOPARTICLES; OPTICAL-PROPERTIES; SELECTIVE GROWTH; ROOM-TEMPERATURE; HIGHLY EFFICIENT; VISIBLE-LIGHT C1 [Peng, Sheng; Sun, Yugang] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Ren, Yang] Argonne Natl Lab, X Ray Sci Div, Adv Photon Source, Argonne, IL 60439 USA. [Cook, Russell E.] Argonne Natl Lab, Div Mat Sci, Electron Microscopy Ctr, Argonne, IL 60439 USA. [Lei, Changhui] Univ Illinois, Ctr Microanal Mat, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA. RP Sun, YG (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ygsun@anl.gov RI Sun, Yugang /A-3683-2010; Peng, Sheng/E-7988-2010 OI Sun, Yugang /0000-0001-6351-6977; FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; U.S. Department of Energy [DE-FG02-07ER46453, DE-FG02-07ER46471] FX Use of the Center for Nanoscale Materials, Advanced Photon Source (11ID-C), and Electron Microscopy Center for Materials Research at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357. Use of the Center for Microanalysis of Materials Facilities in Frederick Seitz Materials Research Laboratory, University of Illinois, is partially supported by the U.S. Department of Energy under grants DE-FG02-07ER46453 and DE-FG02-07ER46471. NR 55 TC 60 Z9 62 U1 12 U2 97 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 14 BP 3158 EP 3163 DI 10.1002/anie.201007794 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 740LR UT WOS:000288796600005 PM 21374772 ER PT J AU Bullock, RM AF Bullock, R. Morris TI A Mercurial Route to a Cobalt Dihydrogen Complex SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Editorial Material DE cobalt; dihydrogen; hydride ligands; mercury; NMR spectroscopy ID COORDINATED MOLECULAR DIHYDROGEN; H-2; DEHYDROGENATION; IRIDIUM; DIHYDRIDE; CHEMISTRY; CATALYSTS; LIGANDS; BINDING; IRON C1 Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99352 USA. RP Bullock, RM (reprint author), Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99352 USA. EM morris.bullock@pnl.gov RI Bullock, R. Morris/L-6802-2016 OI Bullock, R. Morris/0000-0001-6306-4851 NR 26 TC 2 Z9 2 U1 0 U2 10 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 18 BP 4050 EP 4052 DI 10.1002/anie.201006731 PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 764VM UT WOS:000290662500003 PM 21452184 ER PT J AU Niu, KY Zheng, HM Li, ZQ Yang, J Sun, J Du, XW AF Niu, Kai-Yang Zheng, Hai-Mei Li, Zhi-Qing Yang, Jing Sun, Jing Du, Xi-Wen TI Laser Dispersion of Detonation Nanodiamonds SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE dispersion; laser chemistry; nanoparticles; surface chemistry ID DIAMOND NANOPARTICLES; NANOSCALE; CHEMISTRY C1 [Niu, Kai-Yang; Yang, Jing; Sun, Jing; Du, Xi-Wen] Tianjin Univ, Sch Mat Sci & Engn, Tianjin Key Lab Composite & Funct Mat, Tianjin 300072, Peoples R China. [Zheng, Hai-Mei] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Li, Zhi-Qing] Tianjin Univ, Sch Sci, Tianjin 300072, Peoples R China. RP Du, XW (reprint author), Tianjin Univ, Sch Mat Sci & Engn, Tianjin Key Lab Composite & Funct Mat, Tianjin 300072, Peoples R China. EM xwdu@tju.edu.cn RI Li, Zhi-Qing/H-1545-2012; Niu, Kaiyang/M-4765-2013; Du, Xi-Wen/A-7347-2011 OI Li, Zhi-Qing/0000-0003-4233-2006; Niu, Kaiyang/0000-0003-3289-1322; FU Specialized Research Fund for the Doctoral Program of Higher Education [200800560050, 20090032120024]; Natural Science Foundation of China [50902103, 50972102]; National High-tech R&D Program of China [2007AA021808, 2009AA03Z301] FX This work was supported by the Specialized Research Fund for the Doctoral Program of Higher Education (Nos. 200800560050 and 20090032120024), the Natural Science Foundation of China (Nos. 50902103 and 50972102), and the National High-tech R&D Program of China (Nos. 2007AA021808 and 2009AA03Z301). NR 25 TC 28 Z9 28 U1 3 U2 45 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 18 BP 4099 EP 4102 DI 10.1002/anie.201007731 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 764VM UT WOS:000290662500008 PM 21472833 ER PT J AU Zheng, TQ Jiang, H Gros, M del Amo, DS Sundaram, S Lauvau, G Marlow, F Liu, Y Stanley, P Wu, P AF Zheng, Tianqing Jiang, Hao Gros, Marilyn del Amo, David Soriano Sundaram, Subha Lauvau, Gregoire Marlow, Florence Liu, Yi Stanley, Pamela Wu, Peng TI Tracking N-Acetyllactosamine on Cell-Surface Glycans In Vivo SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE click chemistry; enzyme catalysis; glycoconjugates; glycosylation; transferases ID OVARY GLYCOSYLATION MUTANTS; FREE CLICK CHEMISTRY; LECTINS; GLYCOME C1 [Zheng, Tianqing; Jiang, Hao; del Amo, David Soriano; Wu, Peng] Yeshiva Univ Albert Einstein Coll Med, Dept Biochem, Bronx, NY 10461 USA. [Gros, Marilyn; Lauvau, Gregoire] Yeshiva Univ Albert Einstein Coll Med, Dept Microbiol & Immunol, Bronx, NY 10461 USA. [Sundaram, Subha; Stanley, Pamela] Yeshiva Univ Albert Einstein Coll Med, Dept Cell Biol, Bronx, NY 10461 USA. [Marlow, Florence] Yeshiva Univ Albert Einstein Coll Med, Dept Dev & Mol Biol, Bronx, NY 10461 USA. [Liu, Yi] Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Wu, P (reprint author), Yeshiva Univ Albert Einstein Coll Med, Dept Biochem, 1300 Morris Pk Ave, Bronx, NY 10461 USA. EM peng.wu@einstein.yu.edu RI Liu, yi/A-3384-2008; Zheng, Tianqing/C-6679-2017; OI Liu, yi/0000-0002-3954-6102; Stanley, Pamela/0000-0001-5704-3747 FU National Institutes of Health [R01GM093282, R01CA036434]; Mizutani Foundation for Glycoscience; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05 CH11231]; NIGMS [GM62116] FX This work was supported by the National Institutes of Health (R01GM093282 to P. W. and R01CA036434 to P. S.) and the Mizutani Foundation for Glycoscience (to P. W.). Y.L. was supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under contract No. DE-AC02-05 CH11231. We thank Prof. Carolyn Bertozzi for providing DIFO-647. Two disaccharides used in the kinetic assay were provided by The Consortium for Functional Glycomics (funded by NIGMS-GM62116). NR 24 TC 34 Z9 34 U1 2 U2 33 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 18 BP 4113 EP 4118 DI 10.1002/anie.201100265 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 764VM UT WOS:000290662500011 PM 21472942 ER PT J AU Zheng, YH Lalander, CH Thai, T Dhuey, S Cabrini, S Bach, U AF Zheng, Yuanhui Lalander, Cecilia H. Thai, Thibaut Dhuey, Scott Cabrini, Stefano Bach, Udo TI Gutenberg-Style Printing of Self-Assembled Nanoparticle Arrays: Electrostatic Nanoparticle Immobilization and DNA-Mediated Transfer SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE DNA; nanoparticles; nanopatterns; nanoprinting; self-assembly ID SCANNING PROBE LITHOGRAPHY; GEL-ELECTROPHORESIS; BEAM LITHOGRAPHY; GOLD; NANOLITHOGRAPHY; FABRICATION; ALKANETHIOLS; PLASMONICS; RESOLUTION; PLACEMENT C1 [Zheng, Yuanhui; Thai, Thibaut; Bach, Udo] Monash Univ, Dept Mat Engn, Wellington RD, Clayton, Vic 3800, Australia. [Dhuey, Scott; Cabrini, Stefano] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Lalander, Cecilia H.; Bach, Udo] Monash Univ, Sch Chem, Clayton, Vic 3800, Australia. RP Bach, U (reprint author), Monash Univ, Dept Mat Engn, Wellington RD, Clayton, Vic 3800, Australia. EM udo.bach@sci.monash.edu.au RI Bach, Udo/F-3880-2012 FU Australian Research Council [DP0665223, LE0883019]; Lawrence Berkeley National Laboratories (Molecular Foundry) [187, 440, 1064] FX This project was supported by the Australian Research Council (DP0665223, LE0883019) and the Lawrence Berkeley National Laboratories (Molecular Foundry, user projects 187, 440, 1064). Dr. S. Watkins (CSIRO) and Dr. B. Harteneck (LBNL) are acknowledged for their experimental assistance. The Monash Center for Electron Microscopy is acknowledged for the use of their facilities and the provision of scientific and technical assistance. Finally, we would like to thank Inga Tegtmeier (Advanced Design and Communication) for providing valuable graphic design expertise. NR 37 TC 18 Z9 19 U1 3 U2 23 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 19 BP 4398 EP 4402 DI 10.1002/anie.201006991 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 764VU UT WOS:000290663400014 PM 21480442 ER PT J AU Wang, GW Liu, TX Jiao, MZ Wang, N Zhu, SE Chen, CB Yang, SF Bowles, FL Beavers, CM Olmstead, MM Mercado, BQ Balch, AL AF Wang, Guan-Wu Liu, Tong-Xin Jiao, Mingzhi Wang, Nan Zhu, San-E Chen, Chuanbao Yang, Shangfeng Bowles, Faye L. Beavers, Christine M. Olmstead, Marilyn M. Mercado, Brandon Q. Balch, Alan L. TI The Cycloaddition Reaction of I-h-Sc3N@C-80 with 2-Amino-4,5-diisopropoxybenzoic Acid and Isoamyl Nitrite to Produce an Open-Cage Metallofullerene SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE benzynes; cycloaddition; metallofullerenes; open-cage fullerenes; oxygenation ID ENDOHEDRAL METALLOFULLERENES; OXYGEN REACTIVITY; SC3N-AT-C-80; BENZYNE; LA-AT-C-82; RING; C-60; LA-2-AT-C-72; M3N-AT-C-80; DERIVATIVES C1 [Wang, Guan-Wu; Liu, Tong-Xin; Zhu, San-E] Univ Sci & Technol China, Joint Lab Green Synthet Chem, CAS Key Lab Soft Matter Chem, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China. [Wang, Guan-Wu; Liu, Tong-Xin; Zhu, San-E] Univ Sci & Technol China, Dept Chem, Hefei 230026, Anhui, Peoples R China. [Jiao, Mingzhi; Wang, Nan; Chen, Chuanbao; Yang, Shangfeng] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, CAS Key Lab Mat Energy Convers, Hefei 230026, Anhui, Peoples R China. [Jiao, Mingzhi; Wang, Nan; Chen, Chuanbao; Yang, Shangfeng] Univ Sci & Technol China, Dept Mat Sci & Engn, Hefei 230026, Anhui, Peoples R China. [Bowles, Faye L.; Olmstead, Marilyn M.; Mercado, Brandon Q.; Balch, Alan L.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [Beavers, Christine M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Wang, GW (reprint author), Univ Sci & Technol China, Joint Lab Green Synthet Chem, CAS Key Lab Soft Matter Chem, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China. EM gwang@ustc.edu.cn; sfyang@ustc.edu.cn; mmolmstead@ucdavis.edu; albalch@ucdavis.edu RI Wang, Guan-Wu/B-8427-2008; Soft Matter, CAS Key Lab/A-9757-2011; Claire, Faye/C-4934-2012; Yang, Shangfeng/C-4527-2008 OI Wang, Guan-Wu/0000-0001-9287-532X; Claire, Faye/0000-0002-2187-524X; Yang, Shangfeng/0000-0002-6931-9613 FU National Basic Research Program of China [2011CB921402, 2010CB923300]; National Natural Science Foundation of China [20972145, 91021004, 20801052]; U. S. National Science Foundation [CHE-1011760]; Office of Science, Office of Basic Energy Sciences, U.S. DOE [DE-AC02-05CH11231] FX The authors are grateful for the financial support from the National Basic Research Program of China (2011CB921402, 2010CB923300) and the National Natural Science Foundation of China (20972145, 91021004, 20801052) and to the U. S. National Science Foundation (Grant CHE-1011760 to A. L. B. and M.M.O.). The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, U. S. DOE, Contract No. DE-AC02-05CH11231. The technical assistance of Y. Xu is cordially acknowledged. NR 41 TC 18 Z9 18 U1 2 U2 28 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 20 BP 4658 EP 4662 DI 10.1002/anie.201100510 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 764VW UT WOS:000290663600019 PM 21495143 ER PT J AU Wang, CM Luo, XY Luo, HM Jiang, DE Li, HR Dai, S AF Wang, Congmin Luo, Xiaoyan Luo, Huimin Jiang, De-en Li, Haoran Dai, Sheng TI Tuning the Basicity of Ionic Liquids for Equimolar CO2 Capture SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE basicity; carbon capture; carbon dioxide; ionic liquids; sustainability ID CARBON-DIOXIDE; ABSORPTION; DENSITY; SOLUBILITY; CATALYSIS; VISCOSITY; EXCHANGE; BEHAVIOR; SOLVENT; SO2 C1 [Wang, Congmin; Luo, Xiaoyan; Li, Haoran] Zhejiang Univ, Dept Chem, Hangzhou 310027, Peoples R China. [Wang, Congmin; Jiang, De-en; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37966 USA. [Luo, Huimin] Oak Ridge Natl Lab, Nucl Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Wang, CM (reprint author), Zhejiang Univ, Dept Chem, Hangzhou 310027, Peoples R China. EM chewcm@zju.edu.cn; dais@ornl.gov RI Wang, Congmin/I-7889-2013; Jiang, De-en/D-9529-2011; Dai, Sheng/K-8411-2015 OI Jiang, De-en/0000-0001-5167-0731; Dai, Sheng/0000-0002-8046-3931 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy; National Natural Science Foundation of China [20976151, 20704035, 20773109, 20990221] FX This work was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. The authors also gratefully acknowledge the support of the National Natural Science Foundation of China (No. 20976151, No. 20704035, No. 20773109, and No. 20990221). NR 48 TC 214 Z9 224 U1 20 U2 193 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 21 BP 4918 EP 4922 DI 10.1002/anie.201008151 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 764WE UT WOS:000290664400025 PM 21370373 ER PT J AU Genorio, B Subbaraman, R Strmcnik, D Tripkovic, D Stamenkovic, VR Markovic, NM AF Genorio, Bostjan Subbaraman, Ram Strmcnik, Dusan Tripkovic, Dusan Stamenkovic, Vojislav R. Markovic, Nenad M. TI Tailoring the Selectivity and Stability of Chemically Modified Platinum Nanocatalysts To Design Highly Durable Anodes for PEM Fuel Cells SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE calixarenes; electrochemistry; heterogeneous catalysis; oxygen reduction reaction; platinum ID CATALYSTS; SURFACES; MODEL C1 [Genorio, Bostjan; Strmcnik, Dusan; Tripkovic, Dusan; Stamenkovic, Vojislav R.; Markovic, Nenad M.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Genorio, Bostjan] Univ Ljubljana, Fac Chem & Chem Technol, Ljubljana 61000, Slovenia. [Subbaraman, Ram] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. RP Markovic, NM (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM nmmarkovic@anl.gov OI Genorio, Bostjan/0000-0002-0714-3472 FU Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences, US Department of Energy [DE-AC03-76SF00098]; Center of Excellence Low Carbon Technologies Slovenia (CO NOT); Center of Excellence Advanced Materials and Technologies for the Future Slovenia (CO NAMASTE); Argonne postdoctoral fellowship FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences, US Department of Energy under Contract No. DE-AC03-76SF00098 and the Center of Excellence Low Carbon Technologies Slovenia (CO NOT), Center of Excellence Advanced Materials and Technologies for the Future Slovenia (CO NAMASTE). R.S. is grateful for financial support from an Argonne postdoctoral fellowship. PEM=Proton-exchange membrane. NR 12 TC 32 Z9 32 U1 8 U2 69 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 24 BP 5468 EP 5472 DI 10.1002/anie.201100744 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 782GR UT WOS:000291997000005 PM 21567675 ER PT J AU Xu, ZH Cotlet, M AF Xu, Zhihua Cotlet, Mircea TI Quantum Dot-Bridge-Fullerene Heterodimers with Controlled Photoinduced Electron Transfer SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE electron transfer; fullerenes; heterodimers; quantum dots; single-molecule studies ID SINGLE-MOLECULE; TRANSFER DYNAMICS; SOLAR-CELLS; TIO2 NANOPARTICLES; CONFORMATIONAL DYNAMICS; CHARGE SEPARATION; NANOCRYSTALS; DESIGN; PHOTON; STATES C1 [Xu, Zhihua; Cotlet, Mircea] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Cotlet, M (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM cotlet@bnl.gov FU Office of Science US-DOE [DE-AC02-98CH10886] FX This research was carried out under the Office of Science US-DOE Contract No. DE-AC02-98CH10886. We thank Dr. H. L. Wang from LANL for providing the fullerene and Dr. M. Sfeir from BNL for help with transient absorption measurements. NR 35 TC 27 Z9 28 U1 2 U2 35 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 27 BP 6079 EP 6083 DI 10.1002/anie.201007270 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 791DA UT WOS:000292641200013 PM 21560207 ER PT J AU Liu, R Mahurin, SM Li, C Unocic, RR Idrobo, JC Gao, HJ Pennycook, SJ Dai, S AF Liu, Rui Mahurin, Shannon M. Li, Chen Unocic, Raymond R. Idrobo, Juan C. Gao, Hongjun Pennycook, Stephen J. Dai, Sheng TI Dopamine as a Carbon Source: The Controlled Synthesis of Hollow Carbon Spheres and Yolk-Structured Carbon Nanocomposites SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE carbon spheres; dopamine; gold; heterogeneous catalysis; nanostructures ID MESOPOROUS CARBON; ANODE MATERIAL; NANOPARTICLES; POLYMER; SHELL; AU; POLYACRYLONITRILE; IMMOBILIZATION; HYDROGENATION; ENCAPSULATION C1 [Liu, Rui; Mahurin, Shannon M.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Dai, Sheng] Univ Tennesse, Dept Chem, Knoxville, TN 37966 USA. [Li, Chen; Unocic, Raymond R.; Idrobo, Juan C.; Pennycook, Stephen J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Idrobo, Juan C.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Li, Chen; Gao, Hongjun] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. RP Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM dais@ornl.gov RI IoP, Nano Lab/B-9663-2013; Li, Chen/C-4019-2014; Idrobo, Juan/H-4896-2015; Dai, Sheng/K-8411-2015; OI Li, Chen/0000-0001-9839-6100; Idrobo, Juan/0000-0001-7483-9034; Dai, Sheng/0000-0002-8046-3931; Unocic, Raymond/0000-0002-1777-8228 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy, National Science Foundation [DMR-0938330]; Oak Ridge National Laboratory FX Research sponsored by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy, National Science Foundation through grant No. DMR-0938330 (C. L., J.C.I.), Oak Ridge National Laboratory's SHaRE User Facility (R. R. U., J.C.I.), with Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC. NR 32 TC 280 Z9 283 U1 66 U2 465 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 30 BP 6799 EP 6802 DI 10.1002/anie.201102070 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 792TV UT WOS:000292774200013 PM 21648040 ER PT J AU Jalilov, AS Nelsen, SF Guzei, IA Wu, Q AF Jalilov, Almaz S. Nelsen, Stephen F. Guzei, Ilia A. Wu, Qin TI Intramolecular pi-Stacking Interactions of Bridged Bis-p-Phenylenediamine Radical Cations and Diradical Dications: Charge-Transfer versus Spin-Coupling SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE charge transfer; cyclophanes; mixed-valent compounds; pi-interactions; radical ions ID ORGANIC ELECTRON-TRANSFER; PRECURSOR COMPLEX; REDOX CENTERS; DIMERS; TRANSITIONS; MECHANISMS C1 [Jalilov, Almaz S.; Nelsen, Stephen F.; Guzei, Ilia A.] Univ Wisconsin, Dept Chem, Madison, WI 53705 USA. [Wu, Qin] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Nelsen, SF (reprint author), Univ Wisconsin, Dept Chem, 1101 Univ Ave, Madison, WI 53705 USA. EM nelsen@chem.wisc.edu RI Wu, Qin/C-9483-2009; Jalilov, Almaz/O-3210-2015; OI Wu, Qin/0000-0001-6350-6672; Jalilov, Almaz/0000-0002-8932-2107 FU National Science foundation [CHE-0647719]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX SFN thanks the National Science foundation for support under CHE-0647719. Q.W. is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 16 TC 13 Z9 13 U1 2 U2 21 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 30 BP 6860 EP 6863 DI 10.1002/anie.201102629 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 792TV UT WOS:000292774200027 PM 21656883 ER PT J AU Zhang, Q Lima, DQ Lee, I Zaera, F Chi, MF Yin, YD AF Zhang, Qiao Lima, Diana Q. Lee, Ilkeun Zaera, Francisco Chi, Miaofang Yin, Yadong TI A Highly Active Titanium Dioxide Based Visible-Light Photocatalyst with Nonmetal Doping and Plasmonic Metal Decoration SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE doping; nanoparticles; photocatalysts; plasmonic metals; titanium dioxide ID DOPED TIO2; NANOPARTICLES; SURFACE; RUTILE; SIZE; NANOCOMPOSITES; NANOCATALYSTS; CATALYSIS; ANATASE; ORIGIN C1 [Zhang, Qiao; Lima, Diana Q.; Lee, Ilkeun; Zaera, Francisco; Yin, Yadong] Univ Calif Riverside, Dept Chem, Riverside, CA 92521 USA. [Chi, Miaofang] Oak Ridge Natl Lab, Div Mat Sci, Oak Ridge, TN 37830 USA. RP Yin, YD (reprint author), Univ Calif Riverside, Dept Chem, Riverside, CA 92521 USA. EM yadong.yin@ucr.edu RI Yin, Yadong/D-5987-2011; LEE, ILKEUN/B-2294-2010; Zhang, Qiao/C-2251-2008; Zaera, Francisco/J-8720-2013; Chi, Miaofang/Q-2489-2015 OI Yin, Yadong/0000-0003-0218-3042; Zhang, Qiao/0000-0001-9682-3295; Chi, Miaofang/0000-0003-0764-1567 FU U.S. Department of Energy [DE-SC0002247]; Research Corporation for Science Advancement; 3M; DuPont; DOE-BES; Brazilian National Council for Scientific and Technological Development (CNPq) [202146/2008-1] FX Financial support of this work was provided by the U.S. Department of Energy (DE-SC0002247). Y.Y. also thanks the Research Corporation for Science Advancement for the Cottrell Scholar Award, 3M for the Nontenured Faculty Grant, and DuPont for the Young Professor Grant. We thank the Central Facility for Advanced Microscopy and Microanalysis at UCR for access to TEM and SEM analysis. Part of the TEM work was performed at the SHaRE user facility at ORNL, which is supported by DOE-BES. The Brazilian National Council for Scientific and Technological Development (CNPq) (grant 202146/2008-1) supported the academic stay of D.Q.L. at University of California in Riverside to carry out part of her experimental work for her PhD thesis in chemistry (UFMG, Brazil). NR 48 TC 178 Z9 181 U1 20 U2 248 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 31 BP 7088 EP 7092 DI 10.1002/anie.201101969 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 805YM UT WOS:000293767000025 PM 21710514 ER PT J AU Kovalevsky, AY Hanson, BL Mason, SA Yoshida, T Fisher, SZ Mustyakimov, M Forsyth, VT Blakeley, MP Keen, DA Langan, P AF Kovalevsky, Andrey Y. Hanson, B. L. Mason, S. A. Yoshida, T. Fisher, S. Z. Mustyakimov, M. Forsyth, V. T. Blakeley, M. P. Keen, D. A. Langan, Paul TI Identification of the Elusive Hydronium Ion Exchanging Roles with a Proton in an Enzyme at Lower pH Values SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE enzymes; hydronium ions; neutron diffraction; protonation; X-ray diffraction ID D-XYLOSE ISOMERASE; X-RAY; NEUTRON-DIFFRACTION; BINDING-SITES; CRYSTALLOGRAPHY; HYDROGEN; ATPASE; H+ C1 [Kovalevsky, Andrey Y.; Fisher, S. Z.; Mustyakimov, M.; Langan, Paul] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87544 USA. [Hanson, B. L.] Univ Toledo, Dept Chem, Toledo, OH 43606 USA. [Mason, S. A.; Forsyth, V. T.; Blakeley, M. P.] Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France. [Yoshida, T.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87544 USA. [Forsyth, V. T.] Keele Univ, EPSAM ISTM, Keele STS 58G, Staffs, England. [Keen, D. A.] Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England. RP Kovalevsky, AY (reprint author), Los Alamos Natl Lab, Biosci Div, POB 1663, Los Alamos, NM 87544 USA. EM ayk@lanl.gov; paul@lanl.gov RI Forsyth, V. Trevor/A-9129-2010; mason, sax /E-6738-2011; Hanson, Bryant Leif/F-8007-2010; Langan, Paul/N-5237-2015; Blakeley, Matthew/G-7984-2015; OI Forsyth, V. Trevor/0000-0003-0380-3477; Hanson, Bryant Leif/0000-0003-0345-3702; Langan, Paul/0000-0002-0247-3122; Blakeley, Matthew/0000-0002-6412-4358; Yoshida, Thomas/0000-0002-2333-7904; Kovalevsky, Andrey/0000-0003-4459-9142 FU LANL (LDRD) [20080789PRD3]; NIH-NIGMS [1R01M071939-01]; NSF [446218]; EPSRC [GR/R47950/01, GR/R99393/01, EP/C015452/1]; DOE-OBER FX The neutron PCS is funded by the DOE-OBER. A.Y.K. was partly supported by LANL (LDRD grant 20080789PRD3). M.M. and P.L. were partly supported by an NIH-NIGMS-funded consortium (1R01M071939-01) between LANL and LBNL to develop computational tools for neutron protein crystallography. B.L.H. is supported by NSF 446218. V.T.F. and S.A.M. acknowledge support from the EPSRC under grants GR/R47950/01, GR/R99393/01, and EP/C015452/1. The new 019 diffractometer was built as part of a collaboration between Durham University, Keele University, Bath University, and ILL. We gratefully acknowledge the help of John Archer, John Allibon, and the efforts of the ILL detector group. NR 19 TC 30 Z9 30 U1 1 U2 8 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 33 BP 7520 EP 7523 DI 10.1002/anie.201101753 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 809YH UT WOS:000294092100007 PM 21604345 ER PT J AU Friddle, RW Battle, K Trubetskoy, V Tao, JH Salter, EA Moradian-Oldak, J De Yoreo, JJ Wierzbicki, A AF Friddle, Raymond W. Battle, Keith Trubetskoy, Vasily Tao, Jinhui Salter, E. Alan Moradian-Oldak, Janet De Yoreo, James J. Wierzbicki, Andrzej TI Single-Molecule Determination of the Face-Specific Adsorption of Amelogenin's C-Terminus on Hydroxyapatite SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE adsorption free energy; amelogenin; force spectroscopy; hydroxyapatite; molecular dynamics ID ENAMEL-MATRIX PROTEINS; RECOMBINANT AMELOGENIN; CRYSTALS; DYNAMICS; LRAP; SURFACE; BONE; ORIENTATION; SIMULATION; NUCLEATION C1 [Friddle, Raymond W.; Trubetskoy, Vasily; Tao, Jinhui; De Yoreo, James J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Battle, Keith; Salter, E. Alan; Wierzbicki, Andrzej] Univ S Alabama, Dept Chem, Mobile, AL 36688 USA. [Moradian-Oldak, Janet] Univ So Calif, Ostrow Sch Dent, Ctr Craniofacial Mol Biol, Los Angeles, CA 90033 USA. RP De Yoreo, JJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM jjdeyoreo@lbl.gov; awierzbi@jaguar1.usouthal.edu FU NIH [DE003223]; Alabama Supercomputing Authority; Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC52-07NA27344, DE-AC02-05CH1123] FX This work was supported by NIH grant DE003223 and made possible in part by a grant of high-performance computing resources and technical support from the Alabama Supercomputing Authority. Force spectroscopy method development was supported by the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract no. DE-AC52-07NA27344. Measurements were performed at the Molecular Foundry, Lawrence Berkeley National Laboratory with support from the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract no. DE-AC02-05CH1123. NR 36 TC 24 Z9 26 U1 9 U2 64 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 33 BP 7541 EP 7545 DI 10.1002/anie.201100181 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 809YH UT WOS:000294092100012 PM 21710666 ER PT J AU Fay, AW Blank, MA Lee, CC Hu, YL Hodgson, KO Hedman, B Ribbe, MW AF Fay, Aaron W. Blank, Michael A. Lee, Chi Chung Hu, Yilin Hodgson, Keith O. Hedman, Britt Ribbe, Markus W. TI Spectroscopic Characterization of the Isolated Iron-Molybdenum Cofactor (FeMoco) Precursor from the Protein NifEN SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE biosynthesis; FeMoco; nitrogenase; precursors; XAS/EXAFS ID NITROGENASE MOFE-PROTEIN; MECHANISM C1 [Fay, Aaron W.; Lee, Chi Chung; Hu, Yilin; Ribbe, Markus W.] Univ Calif Irvine, Dept Mol Biol & Biochem, Irvine, CA 92697 USA. [Blank, Michael A.; Hodgson, Keith O.] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Hodgson, Keith O.; Hedman, Britt] Stanford Univ, SLAC, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. RP Hu, YL (reprint author), Univ Calif Irvine, Dept Mol Biol & Biochem, Irvine, CA 92697 USA. EM yilinh@uci.edu; hodgson@ssrl.slac.stanford.edu; hedman@ssrl.slac.stanford.edu; mribbe@uci.edu FU Herman Frasch Foundation [617-HF07]; NIH [GM 67626, RR 01209]; DOE BES; NIH NCRR BTP; DOE BER FX This work was supported by Herman Frasch Foundation Grant 617-HF07 (M.W.R.), NIH Grant GM 67626 (M.W.R.), and NIH Grant RR 01209 (K.O.H.). SSRL operations are funded by the DOE BES, and the SSRL Structural Molecular Biology Program by NIH NCRR BTP and DOE BER. NR 11 TC 22 Z9 22 U1 1 U2 12 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 34 BP 7787 EP 7790 DI 10.1002/anie.201102724 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 811BA UT WOS:000294175700008 PM 21726031 ER PT J AU Besanceney-Webler, C Jiang, H Zheng, TQ Feng, L del Amo, DS Wang, W Klivansky, LM Marlow, FL Liu, Y Wu, P AF Besanceney-Webler, Christen Jiang, Hao Zheng, Tianqing Feng, Lei del Amo, David Soriano Wang, Wei Klivansky, Liana M. Marlow, Florence L. Liu, Yi Wu, Peng TI Increasing the Efficacy of Bioorthogonal Click Reactions for Bioconjugation: A Comparative Study SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE alkynes; azides; bioconjugation; bioorthogonal reactions; click chemistry ID AZIDE-ALKYNE CYCLOADDITION; IN-VIVO; COPPER-FREE; TERMINAL ALKYNES; LIVING SYSTEMS; CHEMISTRY; ZEBRAFISH; GLYCANS; PROTEOMES; CELLS C1 [Besanceney-Webler, Christen; Jiang, Hao; Zheng, Tianqing; Feng, Lei; del Amo, David Soriano; Wang, Wei; Marlow, Florence L.; Wu, Peng] Yeshiva Univ, Albert Einstein Coll Med, Dept Biochem, Bronx, NY 10461 USA. [Klivansky, Liana M.; Liu, Yi] Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Marlow, FL (reprint author), Yeshiva Univ, Albert Einstein Coll Med, Dept Biochem, Bronx, NY 10461 USA. EM Florence.marlow@einstein.yu.edu; yliu@lbl.gov; peng.wu@einstein.yu.edu RI Liu, yi/A-3384-2008; Wang, Wei/O-5269-2014; Zheng, Tianqing/C-6679-2017 OI Liu, yi/0000-0002-3954-6102; Wang, Wei/0000-0002-5481-5323; FU National Institutes of Health [GM080585, GM093282, T32 GM007491]; Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-05 CH11231] FX This work was supported by the National Institutes of Health grants GM080585 and GM093282 (P.W.). C. B. is supported by the NIH training grant T32 GM007491. Part of the ligand synthesis was performed as a User Project at the Molecular Foundry, Lawrence Berkeley National Laboratory, which was supported by the Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy, under contract DE-AC02-05 CH11231. NR 37 TC 161 Z9 163 U1 9 U2 112 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 35 BP 8051 EP 8056 DI 10.1002/anie.201101817 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 811BS UT WOS:000294177500015 PM 21761519 ER PT J AU Hatcher, LE Warren, MR Allan, DR Brayshaw, SK Johnson, AL Fuertes, S Schiffers, S Stevenson, AJ Teat, SJ Woodall, CH Raithby, PR AF Hatcher, Lauren E. Warren, Mark R. Allan, David R. Brayshaw, Simon K. Johnson, Andrew L. Fuertes, Sara Schiffers, Stefanie Stevenson, Anna J. Teat, Simon J. Woodall, Christopher H. Raithby, Paul R. TI Metastable Linkage Isomerism in [Ni(Et(4)dien)(NO2)(2)]: A Combined Thermal and Photocrystallographic Structural Investigation of a Nitro/Nitrito Interconversion SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE isomerization; nitrite; photoactivation; structure elucidation; thermal activation ID X-RAY-DIFFRACTION; SINGLE-CRYSTAL; EXCITED-STATES; COMPLEXES; CRYSTALLOGRAPHY; ISOMERIZATION C1 [Hatcher, Lauren E.; Warren, Mark R.; Brayshaw, Simon K.; Johnson, Andrew L.; Fuertes, Sara; Schiffers, Stefanie; Stevenson, Anna J.; Woodall, Christopher H.; Raithby, Paul R.] Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England. [Allan, David R.] Diamond Light Source Ltd, Didcot, Oxon, England. [Teat, Simon J.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA USA. RP Johnson, AL (reprint author), Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England. EM p.r.raithby@bath.ac.uk RI Raithby, Paul/N-7997-2014; Fuertes, Sara/L-7311-2015 OI Raithby, Paul/0000-0002-2944-0662; Fuertes, Sara/0000-0003-1812-3175 FU EPSRC [EP/D058147, EP/D054397]; University of Bath FX We are grateful to the EPSRC for financial support of the project (EP/D058147 and EP/D054397) and for studentships to M. R. W., S. S., C. H. W., and a Senior Research Fellowship to P. R. R., and to the University of Bath for a studentship to L. E. H. Et4dien = N,N,N',N'-tetraethyldiethylenetriamine. NR 31 TC 21 Z9 21 U1 0 U2 20 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 36 BP 8371 EP 8374 DI 10.1002/anie.201102022 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 825GR UT WOS:000295259700031 PM 21780258 ER PT J AU Zarzar, LD Kim, P Kolle, M Brinker, J Aizenberg, J Kaehr, B AF Zarzar, Lauren D. Kim, Philseok Kolle, Mathias Brinker, Jeffrey Aizenberg, Joanna Kaehr, Bryan TI Direct Writing and Actuation of Three-Dimensionally Patterned Hydrogel Pads on Micropillar Supports SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE actuation; gels; hybrid materials; micropatterning; multiphoton lithography ID MULTIPHOTON FABRICATION; POLYMERIZATION; POLYMERS; LITHOGRAPHY; SENSITIVITY; PROTEINS; SYSTEMS; DESIGN; GELS C1 [Zarzar, Lauren D.; Kim, Philseok; Kolle, Mathias; Aizenberg, Joanna] Harvard Univ, Dept Chem & Chem Biol, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Zarzar, Lauren D.; Kim, Philseok; Kolle, Mathias; Aizenberg, Joanna] Harvard Univ, Wyss Inst Biologically Inspired Engn, Cambridge, MA 02138 USA. [Brinker, Jeffrey; Kaehr, Bryan] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. [Brinker, Jeffrey; Kaehr, Bryan] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87106 USA. [Brinker, Jeffrey; Kaehr, Bryan] Univ New Mexico, Ctr Microengineered Mat, Albuquerque, NM 87106 USA. RP Aizenberg, J (reprint author), Harvard Univ, Dept Chem & Chem Biol, Sch Engn & Appl Sci, 29 Oxford St, Cambridge, MA 02138 USA. EM jaiz@seas.harvard.edu; bjkaehr@sandia.gov RI Kolle, Mathias/E-3313-2013 OI Kolle, Mathias/0000-0001-7395-8824 FU National Institute for Nano Engineering (NINE) at Sandia National Laboratories; U.S. Department of Energy, Office of Basic Energy Sciences, and the Division of Materials Science and Engineering [DE-SC0005247, DE-FG02-02-ER15368]; Air Force Office of Scientific Research [9550-10-1-0054, FA9550-09-1-0669-DOD35CAP]; United States DOE's NNSA [DE-AC04-94AL85000]; Sandia National Laboratories; Laboratory Directed Research and Development program; Department of Defense; National Science Foundation; Alexander von Humboldt-Foundation FX We thank Dr. M. Aizenberg for discussions. This work was supported by the National Institute for Nano Engineering (NINE) program at Sandia National Laboratories; U.S. Department of Energy, Office of Basic Energy Sciences, and the Division of Materials Science and Engineering, grants DE-SC0005247 (responsive hydrogel actuation systems), DE-FG02-02-ER15368 (multiphoton lithography capabilities), and the Air Force Office of Scientific Research, grants 9550-10-1-0054 (hybrid materials and devices displaying a symbiotic relationship between the biotic and abiotic components), and FA9550-09-1-0669-DOD35CAP (responsive optics). Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States DOE's NNSA under contract DE-AC04-94AL85000. B.K. gratefully acknowledges the Sandia National Laboratories Truman Fellowship in National Security Science and Engineering and the Laboratory Directed Research and Development program for support. L.D.Z. thanks the Department of Defense for support through the National Defense Science and Engineering Graduate Fellowship Program, as well as the National Science Foundation for support through the Graduate Research Fellowship Program. M.K. acknowledges the Alexander von Humboldt-Foundation for support through a Feodor Lynen Research Fellowship. NR 37 TC 14 Z9 14 U1 4 U2 48 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 40 BP 9356 EP 9360 DI 10.1002/anie.201102975 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 835XZ UT WOS:000296071700013 PM 21861275 ER PT J AU Lam, OP Meyer, K AF Lam, Oanh P. Meyer, Karsten TI Hydrogenation of CO at a Uranium(III) Center SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Editorial Material DE carbon monoxide; coupling; reduction; Fischer-Tropsch synthesis; uranium ID CARBON-MONOXIDE; REDUCTIVE CYCLOTETRAMERIZATION; U(III) COMPLEX; SQUARATE; ACTIVATION; DIOXIDE C1 [Meyer, Karsten] Univ Erlangen Nurnberg, Dept Chem & Pharm, D-91058 Erlangen, Germany. [Lam, Oanh P.] Lawrence Berkeley Natl Lab USA, Div Chem Sci, Berkeley, CA USA. RP Meyer, K (reprint author), Univ Erlangen Nurnberg, Dept Chem & Pharm, Egerlandstr 1, D-91058 Erlangen, Germany. EM karsten.meyer@chemie-uni-erlangen.de RI Meyer, Karsten/G-2570-2012 OI Meyer, Karsten/0000-0002-7844-2998 NR 20 TC 12 Z9 12 U1 2 U2 21 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 41 BP 9542 EP 9544 DI 10.1002/anie.201104157 PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 837LN UT WOS:000296205000007 PM 21882322 ER PT J AU Shiju, NR Alberts, AH Khalid, S Brown, DR Rothenberg, G AF Shiju, N. Raveendran Alberts, Albert H. Khalid, Syed Brown, David R. Rothenberg, Gadi TI Mesoporous Silica with Site-Isolated Amine and Phosphotungstic Acid Groups: A Solid Catalyst with Tunable Antagonistic Functions for One-Pot Tandem Reactions SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE heterogeneous catalysis; mesoporous materials; NMR spectroscopy ID HETEROGENEOUS CATALYSIS; COOPERATIVE CATALYSIS; BASE; NANOCATALYSTS; NANOPARTICLES; COPOLYMER; TRIBLOCK; DESIGN; PORES; THIOL C1 [Shiju, N. Raveendran; Alberts, Albert H.; Rothenberg, Gadi] Univ Amsterdam, Vant Hoff Inst Mol Sci, NL-1098 XH Amsterdam, Netherlands. [Brown, David R.] Univ Huddersfield, Dept Chem & Biol Sci, Mat & Catalysis Res Ctr, Queensgate HD1 3DH, W Yorkshire, England. [Khalid, Syed] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Shiju, NR (reprint author), Univ Amsterdam, Vant Hoff Inst Mol Sci, Sci Pk 904, NL-1098 XH Amsterdam, Netherlands. EM n.r.shiju@uva.nl; g.rothenberg@uva.nl OI Brown, David/0000-0003-1735-9039; Rothenberg, Gadi/0000-0003-1286-4474 NR 43 TC 77 Z9 77 U1 3 U2 67 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 41 BP 9615 EP 9619 DI 10.1002/anie.201101449 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 837LN UT WOS:000296205000018 PM 21919160 ER PT J AU Stavitski, E Goesten, M Juan-Alcaniz, J Martinez-Joaristi, A Serra-Crespo, P Petukhov, AV Gascon, J Kapteijn, F AF Stavitski, Eli Goesten, Maarten Juan-Alcaniz, Jana Martinez-Joaristi, Alberto Serra-Crespo, Pablo Petukhov, Andrei V. Gascon, Jorge Kapteijn, Freek TI Kinetic Control of Metal-Organic Framework Crystallization Investigated by Time-Resolved In Situ X-Ray Scattering SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE crystallization kinetics; metal-organic frameworks; MIL-53; MIL-101; SAXS/WAXS ID HIGH-THROUGHPUT; ZEOLITE CRYSTALLIZATION; CLEAR SOLUTIONS; CRYSTAL-GROWTH; DIFFRACTION; SILICALITE-1; TOPOLOGY; HKUST-1; SAXS; SEPARATION C1 [Stavitski, Eli] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Goesten, Maarten; Juan-Alcaniz, Jana; Martinez-Joaristi, Alberto; Serra-Crespo, Pablo; Gascon, Jorge; Kapteijn, Freek] Delft Univ Technol, Catalysis Engn Chem Engn Dept, NL-2628 BL Delft, Netherlands. [Petukhov, Andrei V.] Univ Utrecht, Debye Inst Nanomat Sci, Vant Hoff Lab Phys & Colloid Chem, NL-3508 TC Utrecht, Netherlands. RP Stavitski, E (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. EM istavitski@bnl.gov; j.gascon@tudelft.nl RI Serra-Crespo, Pablo/A-3170-2012; Juan-Alcaniz, Jana/F-7875-2010; Kapteijn, Frederik /F-2031-2010; Gascon, Jorge/E-8798-2010; Petukhov, Andrei/B-8235-2009; Petukhov van Utrecht, Andrei/F-9477-2010; Stavitski, Eli/C-4863-2009; Group, CE/C-3853-2009; Gascon, Joaquim/M-3598-2015; Institute (DINS), Debye/G-7730-2014 OI Kapteijn, Frederik /0000-0003-0575-7953; Serra Crespo, Pablo/0000-0002-5106-0527; Gascon, Jorge/0000-0001-7558-7123; Petukhov, Andrei/0000-0001-9840-6014; Gascon, Joaquim/0000-0002-5045-1585; FU Netherlands National Science Foundation (NWO) FX We thank ESRF for provision of the beamtime at BM16 beamline, and we are grateful to Dr. Francois Fauth for his assistance during the use of BM16 beamline. J.G. gratefully acknowledges the Netherlands National Science Foundation (NWO) for a personal VENI grant. NR 52 TC 84 Z9 84 U1 16 U2 138 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 41 BP 9624 EP 9628 DI 10.1002/anie.201101757 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 837LN UT WOS:000296205000020 PM 21761517 ER PT J AU Jankolovits, J Andolina, CM Kampf, JW Raymond, KN Pecoraro, VL AF Jankolovits, Joseph Andolina, Christopher M. Kampf, Jeff W. Raymond, Kenneth N. Pecoraro, Vincent L. TI Assembly of Near-Infrared Luminescent Lanthanide Host(Host-Guest) Complexes With a Metallacrown Sandwich Motif SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE lanthanides; luminescence; metallacrowns; self-assembly; zinc ID CHIRAL 15-METALLACROWN-5 COMPLEXES; SINGLE-MOLECULE MAGNETS; EFFICIENT SENSITIZATION; AQUEOUS-SOLUTION; BUILDING-BLOCKS; EXCITED-STATES; CROWN-ETHERS; 12-METALLACROWN-4; COMPARTMENTS; YTTERBIUM C1 [Raymond, Kenneth N.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Jankolovits, Joseph; Kampf, Jeff W.; Pecoraro, Vincent L.] Univ Michigan, Dept Chem, Ann Arbor, MI 48109 USA. [Andolina, Christopher M.; Raymond, Kenneth N.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Raymond, KN (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM raymond@socrates.berkeley.edu; vlpec@umich.edu RI Andolina, Christopher/D-4639-2013; pecoraro, vincent/B-7094-2008 OI pecoraro, vincent/0000-0002-1540-5735 FU NSF [CHE-1057331, CHE-0717098, CHE-0840456]; Office of Science, Office of Basic Energy Sciences, DOE [DE-AC02-05CH11231] FX J.J., J.W.K, and V.L.P. thank the NSF for support of this research (CHE-1057331 and CHE-0717098) and acknowledge funding from NSF grant CHE-0840456 for X-ray instrumentation. Work at LBNL is supported by the Director, Office of Science, Office of Basic Energy Sciences, DOE under Contract DE-AC02-05CH11231. NR 63 TC 64 Z9 64 U1 8 U2 75 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 41 BP 9660 EP 9664 DI 10.1002/anie.201103851 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 837LN UT WOS:000296205000028 PM 21913290 ER PT J AU Zhang, KD Zhao, X Wang, GT Liu, Y Zhang, Y Lu, HJ Jiang, XK Li, ZT AF Zhang, Kang-Da Zhao, Xin Wang, Gui-Tao Liu, Yi Zhang, Ying Lu, Hao-Jie Jiang, Xi-Kui Li, Zhan-Ting TI Foldamer-Tuned Switching Kinetics and Metastability of [2]Rotaxanes SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE donor-acceptor systems; foldamers; hydrogen bonds; molecular devices; rotaxanes ID MOLECULAR MOTORS; TETRATHIAFULVALENE; MACHINES; DEVICES; COMPLEX C1 [Zhang, Kang-Da; Zhao, Xin; Wang, Gui-Tao; Jiang, Xi-Kui; Li, Zhan-Ting] Chinese Acad Sci, Shanghai Inst Organ Chem, State Key Lab Bioorgan & Nat Prod Chem, Shanghai 200032, Peoples R China. [Liu, Yi] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Zhang, Ying; Lu, Hao-Jie; Li, Zhan-Ting] Fudan Univ, Dept Chem, Shanghai 200433, Peoples R China. RP Zhao, X (reprint author), Chinese Acad Sci, Shanghai Inst Organ Chem, State Key Lab Bioorgan & Nat Prod Chem, 345 Lingling Lu, Shanghai 200032, Peoples R China. EM xzhao@mail.sioc.ac.cn; yliu@lbl.gov; luhaojie@fudan.edu.cn; ztli@mail.sioc.ac.cn RI Liu, yi/A-3384-2008; Zhang, Kang-Da/K-4546-2013 OI Liu, yi/0000-0002-3954-6102; FU MOST [2007CB808001]; NSFC [20732007, 20921091, 20872167, 20974118]; STCSM [10PJ1412200, 09XD1405300]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05 CH11231] FX X.Z. and Z.T.L. thank MOST (2007CB808001), NSFC (20732007, 20921091, 20872167, 20974118), and STCSM (10PJ1412200 and 09XD1405300) for financial support. Y.L. was supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under contract No. DE-AC02-05 CH11231. NR 43 TC 33 Z9 33 U1 3 U2 48 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 42 BP 9866 EP 9870 DI 10.1002/anie.201104099 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 837ME UT WOS:000296207100014 PM 21887826 ER PT J AU Somorjai, GA Beaumont, SK Alayoglu, S AF Somorjai, Gabor A. Beaumont, Simon K. Alayoglu, Selim TI Determination of Molecular Surface Structure, Composition, and Dynamics under Reaction Conditions at High Pressures and at the Solid-Liquid Interface SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Review DE heterogeneous catalysis; in situ studies; interfaces; nanoparticles; surface analysis ID SUM-FREQUENCY GENERATION; ABSORPTION FINE-STRUCTURE; IN-SITU EXAFS; VIBRATIONAL SPECTROSCOPY; ELECTRON-MICROSCOPY; NANOPARTICLE CATALYSTS; ETHYLENE HYDROGENATION; METHANOL OXIDATION; ENVIRONMENTAL TEM; ULTRAHIGH-VACUUM C1 [Somorjai, Gabor A.; Beaumont, Simon K.; Alayoglu, Selim] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Somorjai, Gabor A.; Beaumont, Simon K.; Alayoglu, Selim] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Somorjai, GA (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM somorjai@berkeley.edu RI Beaumont, Simon/F-5272-2012 OI Beaumont, Simon/0000-0002-1973-9783 FU Office of Energy Research, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Energy Research, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract DE-AC02-05CH11231. NR 72 TC 22 Z9 22 U1 3 U2 81 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 43 BP 10116 EP 10129 DI 10.1002/anie.201008214 PG 14 WC Chemistry, Multidisciplinary SC Chemistry GA 838GF UT WOS:000296274700009 PM 21626616 ER PT J AU Hansen, LP Ramasse, QM Kisielowski, C Brorson, M Johnson, E Topsoe, H Helveg, S AF Hansen, Lars P. Ramasse, Quentin M. Kisielowski, Christian Brorson, Michael Johnson, Erik Topsoe, Henrik Helveg, Stig TI Atomic-Scale Edge Structures on Industrial-Style MoS2 Nanocatalysts SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE chalcogens; electron microscopy; heterogeneous catalysis; molybdenum disulfide; single-atom imaging ID FULLERENE-LIKE NANOPARTICLES; HYDRODESULFURIZATION CATALYSTS; HYDROTREATING CATALYSTS; INORGANIC NANOTUBES; NANOCLUSTERS; MORPHOLOGY; SITES; RESOLUTION; EVOLUTION; GRAPHENE C1 [Hansen, Lars P.; Brorson, Michael; Topsoe, Henrik; Helveg, Stig] Haldor Topsoe Res Labs, DK-2800 Lyngby, Denmark. [Ramasse, Quentin M.] STFC Daresbury, SuperSTEM Lab, Daresbury WA4 4AD, England. [Kisielowski, Christian] Lawrence Berkeley Natl Lab, JCAP, Berkeley, CA 94708 USA. [Johnson, Erik] Niels Bohr Inst, Nanosci Ctr, DK-2100 Copenhagen, Denmark. RP Helveg, S (reprint author), Haldor Topsoe Res Labs, Nymollevej 55, DK-2800 Lyngby, Denmark. EM sth@topsoe.dk FU Danish Council for Technology and Innovation [08-044837] FX Microscopy was performed at the SuperSTEM Laboratory, Daresbury (UK). L. P. H. was financially supported by The Danish Council for Technology and Innovation (08-044837). The authors thank Berit Hinnemann and Burcin Temel (Haldor Topsoe A/S) for fruitful discussions. NR 33 TC 96 Z9 97 U1 10 U2 182 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 43 BP 10153 EP 10156 DI 10.1002/anie.201103745 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 838GF UT WOS:000296274700016 PM 22021210 ER PT J AU Yang, F Kundu, S Vidal, AB Graciani, J Ramirez, PJ Senanayake, SD Stacchiola, D Evans, J Liu, P Sanz, JF Rodriguez, JA AF Yang, Fan Kundu, Shankhamala Vidal, Alba B. Graciani, Jesus Ramirez, Pedro J. Senanayake, Sanjaya D. Stacchiola, Dario Evans, Jaime Liu, Ping Fdez Sanz, Javier Rodriguez, Jose A. TI Determining the Behavior of RuOx Nanoparticles in Mixed-Metal Oxides: Structural and Catalytic Properties of RuO2/TiO2(110) Surfaces SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE CO oxidation; heterogeneous catalysis; nanocatalysts; ruthenium oxide; titania ID SCANNING-TUNNELING-MICROSCOPY; WATER DECOMPOSITION; ATOMIC-STRUCTURE; TIO2(110); ADSORPTION; CO; PHOTOCATALYST; RU-3(CO)(12); CLUSTERS; CERIA C1 [Yang, Fan; Kundu, Shankhamala; Vidal, Alba B.; Senanayake, Sanjaya D.; Stacchiola, Dario; Liu, Ping; Rodriguez, Jose A.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Graciani, Jesus; Fdez Sanz, Javier] Univ Seville, Dept Quim Fis, E-41012 Seville, Spain. [Ramirez, Pedro J.; Evans, Jaime] Cent Univ Venezuela, Fac Ciencias, Caracas 1020A, Venezuela. RP Rodriguez, JA (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM rodrigez@bnl.gov RI Stacchiola, Dario/B-1918-2009; Kundu, Shankhamala/C-4875-2012; Senanayake, Sanjaya/D-4769-2009; YANG, FAN/J-2706-2012 OI Stacchiola, Dario/0000-0001-5494-3205; Senanayake, Sanjaya/0000-0003-3991-4232; YANG, FAN/0000-0002-1406-9717 FU US Department of Energy (DOE), Office of Basic Energy Science [DE-AC02-98CH10086]; INTEVEP; IDB; MICINN; Barcelona Supercomputing Center-Centro Nacional de Super-computacion (Spain) FX The work at BNL was financed by the US Department of Energy (DOE), Office of Basic Energy Science (DE-AC02-98CH10086). DFT calculations were performed using the computing facilities at the Center for Functional Nanomaterials, BNL. J.E. thanks INTEVEP and IDB for research grants that made possible part of this work at the Universidad Central de Venezuela. The work carried out at Seville was funded by MICINN and the Barcelona Supercomputing Center-Centro Nacional de Super-computacion (Spain). A. B. V. is on a leave of absence from the Venezuelan Institute of Scientific Investigations (IVIC). NR 35 TC 27 Z9 27 U1 3 U2 81 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 43 BP 10198 EP 10202 DI 10.1002/anie.201103798 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 838GF UT WOS:000296274700027 PM 21915966 ER PT J AU Tang, ML Grauer, DC Lassalle-Kaiser, B Yachandra, VK Amirav, L Long, JR Yano, J Alivisatos, AP AF Tang, Ming L. Grauer, David C. Lassalle-Kaiser, Benedikt Yachandra, Vittal K. Amirav, Lilac Long, Jeffrey R. Yano, Junko Alivisatos, A. Paul TI Structural and Electronic Study of an Amorphous MoS3 Hydrogen-Generation Catalyst on a Quantum-Controlled Photosensitizer SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE hydrogen; molybdenum; nanoparticles; photochemistry; X-ray absorption spectroscopy ID VISIBLE-LIGHT; H-2 EVOLUTION; WATER; MOLYBDENUM; PHOTOCATALYST; ABSORPTION; HYDRODESULFURIZATION; ELECTROCATALYSTS; HETEROSTRUCTURES; SPECTROSCOPY C1 [Tang, Ming L.; Grauer, David C.; Amirav, Lilac; Long, Jeffrey R.; Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, LBNL, Berkeley, CA 94720 USA. RP Alivisatos, AP (reprint author), Univ Calif Berkeley, Dept Chem, LBNL, Berkeley, CA 94720 USA. EM jyano@lbl.gov; alivis@berkeley.edu RI Alivisatos , Paul /N-8863-2015 OI Alivisatos , Paul /0000-0001-6895-9048 FU Physical Chemistry of Semiconductor Nanocrystals Program [KC3105]; Office of Science, Office of Basic Energy Sciences (OBES) of the U.S. Department of Energy (DOE) [DE-AC02-05CH11231] FX We thank Chris Chang for use of his microwave. The photocatalysis experiments were supported by the Helios Solar Energy Research Center, while nanocrystal work was supported by the Physical Chemistry of Semiconductor Nanocrystals Program, KC3105. TEM studies were performed at the National Center for Electron Microscopy at LBNL. The above centers and programs were supported by the Office of Science, Office of Basic Energy Sciences (OBES) of the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231. Synchrotron facilities were provided by the Stanford Synchrotron Radiation Laboratory (SSRL) operated by DOE OBES. NR 38 TC 86 Z9 86 U1 14 U2 141 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 43 BP 10203 EP 10207 DI 10.1002/anie.201104412 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 838GF UT WOS:000296274700028 PM 21956994 ER PT J AU Zhang, TJ Ma, YR Chen, K Kunz, M Tamura, N Qiang, M Xu, J Qi, LM AF Zhang, Taiji Ma, Yurong Chen, Kai Kunz, Martin Tamura, Nobumichi Qiang, Ming Xu, Jun Qi, Limin TI Structure and Mechanical Properties of a Pteropod Shell Consisting of Interlocked Helical Aragonite Nanofibers SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE biomineralization; helical nanofibers; interlocked microstructures; mechanical properties; pteropod shells ID LOBSTER HOMARUS-AMERICANUS; FRACTURE-TOUGHNESS; NACRE; BONE; SEA; EXOSKELETON; NANOSCALE; COMPOSITE; IMPACT; PART C1 [Zhang, Taiji; Ma, Yurong; Qi, Limin] Peking Univ PKU, State Key Lab Struct Chem Unstable & Stable Speci, Beijing Natl Lab Mol Sci, Coll Chem, Beijing 100871, Peoples R China. [Qiang, Ming] PKU, Coll Engn, Beijing 100871, Peoples R China. [Xu, Jun] PKU, Sch Phys, Beijing 100871, Peoples R China. [Chen, Kai] Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Kunz, Martin; Tamura, Nobumichi] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Ma, YR (reprint author), Peking Univ PKU, State Key Lab Struct Chem Unstable & Stable Speci, Beijing Natl Lab Mol Sci, Coll Chem, Beijing 100871, Peoples R China. EM yurong.ma@pku.edu.cn; liminqi@pku.edu.cn RI Qi, Limin/A-4203-2009; Kunz, Martin/K-4491-2012; Chen, Kai/O-5662-2014 OI Qi, Limin/0000-0003-4959-6928; Kunz, Martin/0000-0001-9769-9900; Chen, Kai/0000-0002-4917-4445 FU National Basic Research Program of China [2007CB815602, 2007CB936201]; NSFC [50902002, 20873002, 21073005, 50821061]; Office of Science, Office of Basic Energy Sciences, Materials Science Division, of the U.S. Department of Energy at LBNL [DE-AC02-05CH11231] FX We thank Steve Weiner and Lia Addadi for fruitful discussions and Pupa Gilbert for kindly sharing her X-ray microdiffraction beamtime. Financial support from the National Basic Research Program of China (Grant Nos. 2007CB815602, 2007CB936201) and NSFC (Grant Nos. 50902002, 20873002, 21073005, and 50821061) is gratefully acknowledged. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Science Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 at LBNL. NR 33 TC 17 Z9 18 U1 5 U2 47 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 44 BP 10361 EP 10365 DI 10.1002/anie.201103407 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 848KA UT WOS:000297049300017 PM 21953919 ER PT J AU Hastings, CJ Backlund, MP Bergman, RG Raymond, KN AF Hastings, Courtney J. Backlund, Mikael P. Bergman, Robert G. Raymond, Kenneth N. TI Enzyme-like Control of Carbocation Deprotonation Regioselectivity in Supramolecular Catalysis of the Nazarov Cyclization SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE cage compounds; carbocations; electrocyclic reactions; homogeneous catalysis; supramolecular chemistry ID MOLECULAR RECOGNITION; ENCAPSULATION; STEREOCHEMISTRY; REARRANGEMENT; HOST C1 [Hastings, Courtney J.; Backlund, Mikael P.; Bergman, Robert G.; Raymond, Kenneth N.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Hastings, Courtney J.; Backlund, Mikael P.; Bergman, Robert G.; Raymond, Kenneth N.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Bergman, RG (reprint author), Univ Calif Berkeley, Dept Chem, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM rbergman@berkeley.edu; raymond@socrates.berkeley.edu FU Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy [DE-AC02-05CH11231]; Chevron FX This work was supported by the Director of the Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy under Contract DE-AC02-05CH11231 and through a fellowship from Chevron (to C.J.H.). NR 29 TC 47 Z9 47 U1 9 U2 54 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 45 BP 10570 EP 10573 DI 10.1002/anie.201105325 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 850DQ UT WOS:000297175600011 PM 21932275 ER PT J AU Kauffman, KL Culp, JT Allen, AJ Espinal, L Wong-Ng, W Brown, TD Goodman, A Bernardo, MP Pancoast, RJ Chirdon, D Matranga, C AF Kauffman, Kristi L. Culp, Jeffrey T. Allen, Andrew J. Espinal, Laura Wong-Ng, Winnie Brown, Thomas D. Goodman, Angela Bernardo, Mark P. Pancoast, Russel J. Chirdon, Danielle Matranga, Christopher TI Selective Adsorption of CO2 from Light Gas Mixtures by Using a Structurally Dynamic Porous Coordination Polymer SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE IR spectroscopy; metal-organic frameworks; porous coordination polymers; selectivity; structural dynamics ID METAL-ORGANIC-FRAMEWORK; CARBON-DIOXIDE; INFRARED-SPECTROSCOPY; CO2/CH4 MIXTURES; SEPARATION; TRANSITIONS; MIL-53; CH4; THERMODYNAMICS; POLYMORPHISM C1 [Kauffman, Kristi L.; Culp, Jeffrey T.; Brown, Thomas D.; Goodman, Angela; Bernardo, Mark P.; Pancoast, Russel J.; Chirdon, Danielle; Matranga, Christopher] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Culp, Jeffrey T.] URS, South Pk, PA 15129 USA. [Allen, Andrew J.; Espinal, Laura; Wong-Ng, Winnie] NIST, US Dept Commerce, Gaithersburg, MD 20899 USA. RP Matranga, C (reprint author), US DOE, Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA. EM christopher.matranga@netl.doe.gov RI Culp, Jeffrey/B-1219-2010; Matranga, Christopher/E-4741-2015 OI Culp, Jeffrey/0000-0002-7422-052X; Matranga, Christopher/0000-0001-7082-5938 FU National Energy Technology Laboratory [DE-FE0004000]; National Science Foundation [DMR-0454672] FX This work was performed in support of the National Energy Technology Laboratory's ongoing research in CO2 capture under the RES contract DE-FE0004000 and has utilized neutron scattering facilities supported in part by the National Science Foundation under Agreement No. DMR-0454672. Reference in this work to any specific commercial product is to facilitate understanding and does not necessarily imply endorsement by the United States Department of Energy. Certain commercial materials and equipment are identified in this paper only to specify adequately the experimental procedure. In no case does such identification imply recommendation by NIST nor does it imply that the material or equipment identified is necessarily the best available for this purpose. The authors thank Juscelino Leao, Wendy Queen, and Craig Brown of the NIST Center for Neutron Research and Martin Green of NIST Ceramics Division for their valuable technical discussions and contributions. NR 49 TC 32 Z9 32 U1 1 U2 55 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 46 BP 10888 EP 10892 DI 10.1002/anie.201104130 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 851ZY UT WOS:000297312600024 PM 22002810 ER PT J AU Tronic, TA DuBois, MR Kaminsky, W Coggins, MK Liu, TB Mayer, JM AF Tronic, Tristan A. DuBois, Mary Rakowski Kaminsky, Werner Coggins, Michael K. Liu, Tianbiao Mayer, James M. TI Directing Protons to the Dioxygen Ligand of a Ruthenium(II) Complex with Pendent Amines in the Second Coordination Sphere SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE dioxygen ligands; hydrogen bonding; O-O activation; protonation; proton-coupled electron transfer ID COUPLED ELECTRON-TRANSFER; X-RAY; ORGANIC-CHEMICALS; METAL-COMPLEXES; SMALL MOLECULES; ACTIVATION; OXYGEN; REDUCTION; OXIDATION; OXIDASE C1 [Tronic, Tristan A.; Kaminsky, Werner; Coggins, Michael K.; Mayer, James M.] Univ Washington, Dept Chem, Seattle, WA 98195 USA. [DuBois, Mary Rakowski; Liu, Tianbiao] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. RP Mayer, JM (reprint author), Univ Washington, Dept Chem, Box 351700, Seattle, WA 98195 USA. EM mayer@chem.washington.edu RI Liu, Tianbiao/A-3390-2011 FU Center for Molecular Electrocatalysis, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [FWP 56073]; Division of Chemical Sciences, Biosciences and Geosciences, Office of Basic Energy Sciences, Office of Science of the U.S. Department of Energy FX This work is supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under FWP 56073. We thank Dr. Rajan Paranji for NMR assistance and Dr. Jenny Yang for 15N-labeled P2N2 ligand. M.R.D. and T.L. were supported by the Division of Chemical Sciences, Biosciences and Geosciences, Office of Basic Energy Sciences, Office of Science of the U.S. Department of Energy. Pacific Northwest National Lab is operated by Battelle for the U.S. Department of Energy. NR 36 TC 14 Z9 14 U1 0 U2 19 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 46 BP 10936 EP 10939 DI 10.1002/anie.201105266 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 851ZY UT WOS:000297312600034 PM 21954080 ER PT J AU Kim, TW Chokhawala, HA Hess, M Dana, CM Baer, Z Sczyrba, A Rubin, EM Blanch, HW Clark, DS AF Kim, Tae-Wan Chokhawala, Harshal A. Hess, Matthias Dana, Craig M. Baer, Zachary Sczyrba, Alexander Rubin, Edward M. Blanch, Harvey W. Clark, Douglas S. TI High-Throughput In Vitro Glycoside Hydrolase (HIGH) Screening for Enzyme Discovery SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE biomass; enzymes; glycoside hydrolases; high-throughput screening; protein expression ID FREE PROTEIN-SYNTHESIS; DIRECTED EVOLUTION; BIOMASS C1 [Kim, Tae-Wan; Chokhawala, Harshal A.; Dana, Craig M.; Baer, Zachary; Blanch, Harvey W.; Clark, Douglas S.] Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94720 USA. [Hess, Matthias] Washington State Univ, Sch Mol Biosci Appl Microbial Genom & Ecol, Richland, WA 99353 USA. [Sczyrba, Alexander; Rubin, Edward M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Genom Div, Berkeley, CA 94720 USA. [Sczyrba, Alexander; Rubin, Edward M.] Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA. RP Blanch, HW (reprint author), Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94720 USA. EM blanch@berkeley.edu; clark@berkeley.edu RI Hess, Matthias/B-1783-2012 FU Energy Biosciences Institute FX The research described in this article was funded by the Energy Biosciences Institute. NR 14 TC 14 Z9 14 U1 1 U2 20 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 47 BP 11215 EP 11218 DI 10.1002/anie.201104685 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 854AO UT WOS:000297467100033 PM 21922616 ER PT J AU Wilson, RE Skanthakumar, S Soderholm, L AF Wilson, Richard E. Skanthakumar, S. Soderholm, L. TI Separation of Plutonium Oxide Nanoparticles and Colloids SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE colloids; crystal structure determination; nanoparticles; plutonium; x-ray scattering ID X-RAY-SCATTERING; SHAPE CONTROL; NANOCRYSTALS; ADSORPTION; POLYMERIZATION; CHEMISTRY; TRANSPORT; CLUSTERS; TIO2; ACID C1 [Wilson, Richard E.; Skanthakumar, S.; Soderholm, L.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Wilson, RE (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM rewilson@anl.gov RI Wilson, Richard/H-1763-2011 OI Wilson, Richard/0000-0001-8618-5680 FU United States Department of Energy [DE-AC02-06CH11357] FX We thank Renato Chiarizia for helpful discussions and guidance. This work was performed at Argonne National Laboratory, operated by UChicagoArgonne LLC for the United States Department of Energy under contract number DE-AC02-06CH11357. NR 37 TC 38 Z9 38 U1 1 U2 47 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 47 BP 11234 EP 11237 DI 10.1002/anie.201105624 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 854AO UT WOS:000297467100038 PM 21954167 ER PT J AU Bertozzi, CR AF Bertozzi, Carolyn R. TI Carolyn R. Bertozzi is Kavli Lecturer SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT News Item C1 [Bertozzi, Carolyn R.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Bertozzi, Carolyn R.] Howard Hughes Med Inst, Chevy Chase, MD USA. [Bertozzi, Carolyn R.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Bertozzi, Carolyn R.] UCSF, San Francisco, CA USA. RP Bertozzi, CR (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 6 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 48 BP 11287 EP 11287 PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 859GC UT WOS:000297863900001 ER PT J AU Hou, Y Nyman, M Rodriguez, MA AF Hou, Yu Nyman, May Rodriguez, Mark A. TI Soluble Heteropolyniobates from the Bottom of Group IA SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE hydrothermal synthesis; polyoxometalates; polyoxoniobates; structure elucidation ID SOLID-STATE; STRUCTURAL-CHARACTERIZATION; BUILDING-BLOCKS; LINDQVIST ION; COMPLEXES; CHEMISTRY; COORDINATION; CLUSTER; ANIONS C1 [Hou, Yu; Nyman, May; Rodriguez, Mark A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Nyman, M (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mdnyman@sandia.gov RI Hou, Yu/H-1121-2012 FU U.S. DOE, BES, Geosciences research; [DE-AC04-94AL85000] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000. This work was supported by the U.S. DOE, BES, Geosciences research. NR 37 TC 39 Z9 39 U1 6 U2 33 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 52 BP 12514 EP 12517 DI 10.1002/anie.201104478 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 865TH UT WOS:000298332700015 PM 21901806 ER PT J AU Boyer, JL Polyansky, DE Szalda, DJ Zong, RF Thummel, RP Fujita, E AF Boyer, Julie L. Polyansky, Dmitry E. Szalda, David J. Zong, Ruifa Thummel, Randolph P. Fujita, Etsuko TI Effects of a Proximal Base on Water Oxidation and Proton Reduction Catalyzed by Geometric Isomers of [Ru(tpy)(pynap)(OH2)](2+) SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE electron transfer; isomers; proton reduction; ruthenium; water oxidation ID COUPLED ELECTRON-TRANSFER; RUTHENIUM COMPLEX; REDOX PROPERTIES; BRIDGING LIGAND; PHOTOSYSTEM-II; RU; MECHANISM; OXYGEN; STATE; QUINONE C1 [Zong, Ruifa; Thummel, Randolph P.] Univ Houston, Dept Chem, Houston, TX 77204 USA. [Boyer, Julie L.; Polyansky, Dmitry E.; Szalda, David J.; Fujita, Etsuko] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Szalda, David J.] Baruch Coll, Dept Nat Sci, New York, NY 10010 USA. RP Thummel, RP (reprint author), Univ Houston, Dept Chem, Univ Pk, Houston, TX 77204 USA. EM thummel@uh.edu; fujita@bnl.gov RI Fujita, Etsuko/D-8814-2013; Polyansky, Dmitry/C-1993-2009 OI Polyansky, Dmitry/0000-0002-0824-2296 FU Brookhaven National Laboratory (BNL) [DE-AC02-98CH10886]; U.S. Department of Energy [DE-FG02-07ER15888]; Division of Chemical Sciences, Geosciences, & Biosciences, Office of Basic Energy Sciences; U.S Department of Energy under the BES Hydrogen Fuel Initiative FX We thank Dr. James T. Muckerman for valuable discussions. The work at Brookhaven National Laboratory (BNL) is funded under contract DE-AC02-98CH10886 and the work at Houston is funded under contract DE-FG02-07ER15888 with the U. S. Department of Energy and supported by its Division of Chemical Sciences, Geosciences, & Biosciences, Office of Basic Energy Sciences. The BNL authors also thank the U.S Department of Energy for funding under the BES Hydrogen Fuel Initiative. R.Z. and R.P.T. also thank the Robert A. Welch Foundation (E-621). tpy = 2,2'; 6', 2 ''-terpyridine, pynap = 2-(pyrid-2'-yl)-1,8-naphthyridine. NR 43 TC 58 Z9 59 U1 1 U2 25 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2011 VL 50 IS 52 BP 12600 EP 12604 DI 10.1002/anie.201102648 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 865TH UT WOS:000298332700034 PM 22057468 ER PT J AU Jacobson, AR Holzworth, RH Shao, XM AF Jacobson, A. R. Holzworth, R. H. Shao, X. -M. TI Observations of multi-microsecond VHF pulsetrains in energetic intracloud lightning discharges SO ANNALES GEOPHYSICAE LA English DT Article DE Meteorology and atmospheric dynamics; Atmospheric electricity; Middle atmosphere dynamics; General or miscellaneous ID TRANSIONOSPHERIC PULSE PAIRS; FORTE SATELLITE-OBSERVATIONS; RADIATION BEAM PATTERN; RADIO-FREQUENCY; POLARIZATION OBSERVATIONS; OPTICAL-EMISSIONS; DETECTION NETWORK; RETURN STROKES; LOS-ALAMOS; SIGNALS AB Certain intracloud lightning discharges emit energetic, multi-microsecond pulsetrains of radio noise. Observations of this distinctive form of lightning date from 1980 and have involved both ground-based and satellite-based radio recording systems. The underlying intracloud lightning discharges have been referred to as "Narrow Bipolar Pulses", "Narrow Bipolar Events", and "Compact Intracloud Discharges". An important discriminant for this species of radio emission is that, in the range above similar to 30 MHz, it consists of several microseconds of intense radio noise. When the intracloud emission is viewed from a satellite, each radio pulsetrain is received both from a direct lightning-to-satellite path, and after some delay, from a path via ground. Thus one recording of the radio emission, if of sufficient length, contains the "view" of the intracloud emission from two different angles. One view is of radiation exiting the emitter into the upper hemisphere, the other for radiation exiting into the lower hemisphere. However, the propagation conditions are similar, except that one path includes a ground reflection, while the other does not. One would normally expect a stereoscopic double view of the "same" emission process to provide two almost congruent time series, one delayed from the other, and also differing due to the different propagation effects along the two signal paths, namely, the ground reflection. We present somewhat unexpected results on this matter, using recordings from the FORTE satellite at a passband 118-141 MHz, with simultaneous data at 26-49 MHz. We find that the 118-141 MHz pulsetrain's detailed time-dependence is completely uncorrelated between the two views of the process. We examine statistics of the 118-141MHz pulsetrain's integrated power and show that the power emitted into the lower hemisphere, on average, exceeds the power emitted into the upper hemi-sphere. Finally, we examine statistical measures of the amplitude distribution and show that the 118-141MHz signal emitted downward is slightly more dominated by discrete, temporally-narrow impulses than is the signal emitted upward. C1 [Jacobson, A. R.; Holzworth, R. H.] Univ Washington, Seattle, WA 98229 USA. [Shao, X. -M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Jacobson, AR (reprint author), Univ Washington, POB 351310, Seattle, WA 98229 USA. EM abramj@u.washington.edu FU US Defense Advanced Research Projects Agency; US Department of Energy FX Two authors (ARJ, RH) worked on this project with support from the US Defense Advanced Research Projects Agency's NIMBUS program. One author (X-MS) participated in this project under the auspices of the US Department of Energy. NR 47 TC 6 Z9 7 U1 1 U2 12 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 0992-7689 J9 ANN GEOPHYS-GERMANY JI Ann. Geophys. PY 2011 VL 29 IS 9 BP 1587 EP 1604 DI 10.5194/angeo-29-1587-2011 PG 18 WC Astronomy & Astrophysics; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Astronomy & Astrophysics; Geology; Meteorology & Atmospheric Sciences GA 827BB UT WOS:000295399100007 ER PT J AU Denton, MH Cayton, TE AF Denton, M. H. Cayton, T. E. TI Density and temperature of energetic electrons in the Earth's magnetotail derived from high-latitude GPS observations during the declining phase of the solar cycle SO ANNALES GEOPHYSICAE LA English DT Article DE Magnetospheric physics; Magnetotail ID GEOSYNCHRONOUS ORBIT; SPATIAL-DISTRIBUTION; NEUTRAL SHEET; PLASMA; TAIL; PARTICLES; MODEL AB Single relativistic-Maxwellian fits are made to high-latitude GPS-satellite observations of energetic electrons for the period January 2006-November 2010; a constellation of 12 GPS space vehicles provides the observations. The derived fit parameters (for energies similar to 0.1-1.0 MeV), in combination with field-line mapping on the nightside of the magnetosphere, provide a survey of the energetic electron density and temperature distribution in the magnetotail between McIlwain L-values of L = 6 and L = 22. Analysis reveals the characteristics of the density-temperature distribution of energetic electrons and its variation as a function of solar wind speed and the Kp index. The density-temperature characteristics of the magnetotail energetic electrons are very similar to those found in the outer electron radiation belt as measured at geosynchronous orbit. The energetic electron density in the magnetotail is much greater during increased geomagnetic activity and during fast solar wind. The total electron density in the magnetotail is found to be strongly correlated with solar wind speed and is at least a factor of two greater for high-speed solar wind (V(SW) = 500-1000 km s(-1)) compared to low-speed solar wind (V(SW) = 100-400 km s(-1)). These results have important implications for understanding (a) how the solar wind may modulate entry into the magnetosphere during fast and slow solar wind, and (b) if the magnetotail is a source or a sink for the outer electron radiation belt. C1 [Denton, M. H.] Univ Lancaster, Dept Phys, Lancaster LA1 4YB, England. [Cayton, T. E.] Los Alamos Natl Lab, ISR 1, Los Alamos, NM 87545 USA. RP Denton, MH (reprint author), Univ Lancaster, Dept Phys, Lancaster LA1 4YB, England. EM m.denton@lancaster.ac.uk OI Denton, Michael/0000-0002-1748-3710 FU STFC [ST/G002401/1]; US Department of Energy; NASA; Joe Borovsky FX The authors would like to thank Evan Noveroske, custodian of the GPS data archive at LANL, for provision of the basic BDD and CXD data files, and the Space Physics Data Facility (SPDF) and National Space Science Data Center (NSSDC) for provision of the OMNI2 database. We thank Joe Borovsky, Reiner Friedel, John Steinberg and Joachim Birn for helpful discussions. Work at Lancaster was supported under grant ST/G002401/1 from the STFC. Work at LANL was supported by the US Department of Energy and the NASA Heliophysics TR&T program. Parts of this work were carried out at Los Alamos National Laboratory during the autumn of 2010 and MHD wishes to thank Joe Borovsky for financial support and all at ISR-1 for hospitality during this visit. NR 34 TC 10 Z9 10 U1 0 U2 4 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 0992-7689 J9 ANN GEOPHYS-GERMANY JI Ann. Geophys. PY 2011 VL 29 IS 10 BP 1755 EP 1763 DI 10.5194/angeo-29-1755-2011 PG 9 WC Astronomy & Astrophysics; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Astronomy & Astrophysics; Geology; Meteorology & Atmospheric Sciences GA 842MG UT WOS:000296603000005 ER PT J AU Mphahlele, R Ougouag, AM Ivanov, KN Gougar, HD AF Mphahlele, Ramatsemela Ougouag, Abderrafi M. Ivanov, Kostadin N. Gougar, Hans D. TI Spectral zone selection methodology for pebble bed reactors SO ANNALS OF NUCLEAR ENERGY LA English DT Article DE High temperature gas cooled reactor (HTR); Pebble Bed Modular Reactor (PBMR); Spectral zone; Selection methodology; Optimization algorithm AB A methodology is developed for determining boundaries of spectral zones for pebble bed reactors A spectral zone is defined as a region made up of a number of nodes whose characteristics are collectively similar and that are assigned the same few-group diffusion constants The spectral zones are selected in such a manner that the difference (error) between the reference transport solution and the diffusion code solution takes a minimum value This is achieved by choosing spectral zones through optimally minimizing this error The objective function for the optimization algorithm is the total reaction rate error which is defined as the sum of the leakage absorption and fission reaction rates errors in each zone The selection of these spectral zones is such that the core calculation results based on diffusion theory are within an acceptable tolerance as compared to a proper transport reference solution Through this work a consistent approach for identifying spectral zones that yield more accurate diffusion results is introduced (C) 2010 Elsevier Ltd All rights reserved C1 [Mphahlele, Ramatsemela; Ivanov, Kostadin N.] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. [Ougouag, Abderrafi M.; Gougar, Hans D.] Idaho Natl Lab, Idaho Falls, ID USA. RP Ivanov, KN (reprint author), Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. OI Ougouag, Abderrafi/0000-0003-4436-380X FU Idaho National Laboratory; PBMR (Pty) Ltd FX This work was supported in part by the NGNP project at the Idaho National Laboratory and in part by PBMR (Pty) Ltd Both sources of funding are gratefully acknowledged NR 14 TC 2 Z9 3 U1 0 U2 4 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0306-4549 J9 ANN NUCL ENERGY JI Ann. Nucl. Energy PD JAN PY 2011 VL 38 IS 1 BP 80 EP 87 DI 10.1016/j.anucene.2010.08.014 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 684RF UT WOS:000284566300010 ER PT S AU Johnson, GE Hu, QC Laskin, J AF Johnson, Grant E. Hu, Qichi Laskin, Julia BE Cooks, RG Yeung, ES TI Soft Landing of Complex Molecules on Surfaces SO ANNUAL REVIEW OF ANALYTICAL CHEMISTRY, VOL 4 SE Annual Review of Analytical Chemistry LA English DT Article; Book Chapter DE mass-selected ion deposition; proteins; peptides; clusters; organometallic complexes ID SELF-ASSEMBLED MONOLAYER; MASS-SELECTED IONS; SUPPORTED METAL-CLUSTERS; V(BENZENE)(2) SANDWICH CLUSTERS; LANDED PROTEIN VOLTAMMETRY; ATOMIC-FORCE MICROSCOPY; SIZE-SELECTED CLUSTERS; LOW-ENERGY COLLISIONS; PEPTIDE IONS; IN-SITU AB Soft and reactive landing of mass-selected ions onto surfaces has become a topic of substantial interest due to its promising potential for the highly controlled preparation of materials. For example, there are possible applications in the production of peptide and protein microarrays for use in high-throughput screening, protein separation and conformational enrichment of peptides, redox protein characterization, thin-film production, and the preparation of catalysts through deposition of clusters and organometallic complexes. Soft landing overcomes many of the limitations associated with conventional thin-film production techniques and offers unprecedented selectivity and specificity of preparation of deposited species. This review discusses the fundamental aspects of soft and reactive landing of mass-selected ions on surfaces that pertain to applications of these techniques in biomaterials, molecular electronics, catalysis, and interfacial chemistry. C1 [Johnson, Grant E.; Hu, Qichi; Laskin, Julia] Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99352 USA. RP Johnson, GE (reprint author), Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99352 USA. EM Grant.Johnson@pnl.gov; Qichi.Hu@pnl.gov; Julia.Laskin@pnl.gov RI Laskin, Julia/H-9974-2012; OI Laskin, Julia/0000-0002-4533-9644; Johnson, Grant/0000-0003-3352-4444 NR 139 TC 49 Z9 49 U1 2 U2 38 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 1936-1327 BN 978-0-8243-4404-7 J9 ANNU REV ANAL CHEM JI Annu. Rev. Anal. Chem. PY 2011 VL 4 BP 83 EP 104 DI 10.1146/annurev-anchem-061010-114028 PG 22 WC Chemistry, Analytical; Spectroscopy SC Chemistry; Spectroscopy GA BVY60 UT WOS:000293148400005 PM 21370985 ER PT S AU Chundawat, SPS Beckham, GT Himmel, ME Dale, BE AF Chundawat, Shishir P. S. Beckham, Gregg T. Himmel, Michael E. Dale, Bruce E. BE Prausnitz, JM TI Deconstruction of Lignocellulosic Biomass to Fuels and Chemicals SO ANNUAL REVIEW OF CHEMICAL AND BIOMOLECULAR ENGINEERING, VOL 2 SE Annual Review of Chemical and Biomolecular Engineering LA English DT Review; Book Chapter DE thermochemical pretreatment; enzymatic hydrolysis; biofuels; heterogeneous catalysis ID PLANT-CELL WALL; TRICHODERMA-REESEI CELLOBIOHYDROLASE; IONIC LIQUID PRETREATMENT; NEUTRON FIBER DIFFRACTION; CELLULOSE-BINDING DOMAIN; DILUTE-ACID PRETREATMENT; SYNCHROTRON X-RAY; GLYCOSIDE HYDROLASE FAMILY; COMPARATIVE SUGAR RECOVERY; HYDROGEN-BONDING SYSTEM AB Plants represent a vast, renewable resource and are well suited to provide sustainably for humankind's transportation fuel needs. To produce infrastructure-compatible fuels from biomass, two challenges remain: overcoming plant cell wall recalcitrance to extract sugar and phenolic intermediates, and reduction of oxygenated intermediates to fuel molecules. To compete with fossil-based fuels, two primary routes to deconstruct cell walls are under development, namely biochemical and thermochemical conversion. Here, we focus on overcoming recalcitrance with biochemical conversion, which uses low-severity thermochemical pretreatment followed by enzymatic hydrolysis to produce soluble sugars. Many challenges remain, including understanding how pretreatments affect the physicochemical nature of heterogeneous cell walls; determination of how enzymes deconstruct the cell wall effectively with the aim of designing superior catalysts; and resolution of issues associated with the co-optimization of pretreatment, enzymatic hydrolysis, and fermentation. Here, we highlight some of the scientific challenges and open questions with a particular focus on problems across multiple length scales. C1 [Chundawat, Shishir P. S.; Dale, Bruce E.] Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. [Chundawat, Shishir P. S.; Dale, Bruce E.] Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. [Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. [Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Adv Biofuels Consortium, Golden, CO 80401 USA. [Himmel, Michael E.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. [Beckham, Gregg T.] Colorado Sch Mines, Dept Chem Engn, Golden, CO 80401 USA. [Beckham, Gregg T.] Renewable & Sustainable Energy Inst, Boulder, CO 80309 USA. [Himmel, Michael E.] Oak Ridge Natl Lab, Bioenergy Sci Ctr, Oak Ridge, TN 37831 USA. RP Chundawat, SPS (reprint author), Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. EM chundawa@msu.edu; gregg.beckham@nrel.gov OI Chundawat, Shishir/0000-0003-3677-6735 NR 150 TC 314 Z9 317 U1 23 U2 302 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 1947-5438 BN 978-0-8243-5202-8 J9 ANNU REV CHEM BIOMOL JI Annu. Rev. Chem. Biomol. Eng. PY 2011 VL 2 BP 121 EP 145 DI 10.1146/annurev-chembioeng-061010-114205 PG 25 WC Chemistry, Applied; Engineering, Chemical SC Chemistry; Engineering GA BVV09 UT WOS:000292859600007 PM 22432613 ER PT S AU Hasan, MZ Moore, JE AF Hasan, M. Zahid Moore, Joel E. BE Langer, JS TI Three-Dimensional Topological Insulators SO ANNUAL REVIEW OF CONDENSED MATTER PHYSICS, VOL 2 SE Annual Review of Condensed Matter Physics LA English DT Review; Book Chapter DE spin-orbit coupling; surface states; quantum Hall effect; topological phases ID QUANTIZED HALL CONDUCTANCE; SPIN-ORBIT INTERACTION; STRONG MAGNETIC-FIELD; HGTE QUANTUM-WELLS; SINGLE DIRAC CONE; SURFACE-STATES; ELECTRONIC-STRUCTURE; POLARIZATION; BI2TE3; PHASE AB Topological insulators in three dimensions are nonmagnetic insulators that possess metallic surface states (SSs) as a consequence of the nontrivial topology of electronic wavefunctions in the bulk of the material. They are the first known examples of topological order in bulk solids. We review the basic phenomena and experimental history, starting with the observation of topological insulator behavior in BixSb1-x by angle and spin-resolved photoemission spectroscopy (spin-ARPES) and continuing through measurements on other materials and by other probes. A self-contained introduction to the single-particle theory is then given, followed by the many-particle definition of a topological insulator as a material with quantized magnetoelectric polarizability. The last section reviews recent work on strongly correlated topological insulators and new effects that arise from the proximity effect between a topological insulator and a superconductor. Although this article is not intended to be a comprehensive review of what is already a rather large field, we hope that it serves as a useful introduction, summary of recent progress, and guideline to future directions. C1 [Hasan, M. Zahid] Princeton Univ, Dept Phys, Joseph Henry Lab, Princeton, NJ 08544 USA. [Hasan, M. Zahid] Princeton Univ, Princeton Ctr Complex Mat, Princeton Inst Sci Technol Mat PRISM, Princeton, NJ 08544 USA. [Moore, Joel E.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Moore, Joel E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Hasan, MZ (reprint author), Princeton Univ, Dept Phys, Joseph Henry Lab, Princeton, NJ 08544 USA. EM mzhasan@princeton.edu; jemoore@berkeley.edu RI HASAN, M. Zahid/D-8237-2012; Moore, Joel/O-4959-2016; OI Moore, Joel/0000-0002-4294-5761; HASAN, M. Zahid/0000-0001-9730-3128 NR 99 TC 212 Z9 212 U1 24 U2 287 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 1947-5454 BN 978-0-8243-5002-4 J9 ANNU REV CONDEN MA P JI Annu. Rev. Condens. Matter Phys. PY 2011 VL 2 BP 55 EP 78 DI 10.1146/annurev-conmatphys-062910-140432 PG 24 WC Physics, Condensed Matter SC Physics GA BUD23 UT WOS:000288917400004 ER PT S AU Norby, RJ Zak, DR AF Norby, Richard J. Zak, Donald R. BE Futuyma, DJ Shaffer, HB Simberloff, D TI Ecological Lessons from Free-Air CO2 Enrichment (FACE) Experiments SO ANNUAL REVIEW OF ECOLOGY, EVOLUTION, AND SYSTEMATICS, VOL 42 SE Annual Review of Ecology Evolution and Systematics LA English DT Review; Book Chapter DE elevated CO2; forests; net primary productivity; carbon cycle; nitrogen cycle; soil microbial activity; soil organic matter ID ELEVATED ATMOSPHERIC CO2; DECIDUOUS FOREST TREES; CARBON-DIOXIDE ENRICHMENT; LONG-TERM EXPOSURE; PROGRESSIVE NITROGEN LIMITATION; FUNGAL COMMUNITY COMPOSITION; WARM-TEMPERATE FOREST; FINE-ROOT RESPONSES; SOIL-N AVAILABILITY; SCRUB-OAK ECOSYSTEM AB Free-air CO2 enrichment (FACE) experiments have provided novel insights into the ecological mechanisms controlling the cycling and storage of carbon in terrestrial ecosystems and contribute to our ability to project how ecosystems respond to increasing CO2 in the Earth's atmosphere. Important lessons emerge by evaluating a set of hypotheses that initially guided the design and longevity of forested FACE experiments. Net primary productivity is increased by elevated CO2, but the response can diminish over time. Carbon accumulation is driven by the distribution of carbon among plant and soil components with differing turnover rates and by interactions between the carbon and nitrogen cycles. Plant community structure may change, but elevated CO2 has only minor effects on microbial community structure. FACE results provide a strong foundation for next-generation experiments in unexplored ecosystems and inform coupled climate-biogeochemical models of the ecological mechanisms controlling ecosystem response to the rising atmospheric CO2 concentration. C1 [Norby, Richard J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Zak, Donald R.] Univ Michigan, Sch Nat Resources & Environm, Dept Ecol & Evolutionary Biol, Ann Arbor, MI 48109 USA. RP Norby, RJ (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM norbyrj@ornl.gov RI Zak, Donald/C-6004-2012; Norby, Richard/C-1773-2012 OI Norby, Richard/0000-0002-0238-9828 NR 127 TC 202 Z9 204 U1 24 U2 286 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 1543-592X BN 978-0-8243-1442-2 J9 ANNU REV ECOL EVOL S JI Annu. Rev. Ecol. Evol. Syst. PY 2011 VL 42 BP 181 EP 203 DI 10.1146/annurev-ecolsys-102209-144647 PG 23 WC Ecology; Evolutionary Biology SC Environmental Sciences & Ecology; Evolutionary Biology GA BYN42 UT WOS:000299438300009 ER PT S AU Pierce, DW Barnett, TP Gleckler, PJ AF Pierce, David W. Barnett, Tim P. Gleckler, Peter J. BE Gadgil, A Liverman, DM TI Ocean Circulations, Heat Budgets, and Future Commitment to Climate Change SO ANNUAL REVIEW OF ENVIRONMENT AND RESOURCES, VOL 36 SE Annual Review of Environment and Resources LA English DT Review; Book Chapter DE ocean warming; sea-level rise; environmental change; climate modeling; detection; attribution ID SEA-LEVEL RISE; MERIDIONAL OVERTURNING CIRCULATION; MEAN SURFACE-TEMPERATURE; EXPENDABLE BATHYTHERMOGRAPH; GLOBAL TEMPERATURE; WORLDS OCEANS; EL-NINO; VARIABILITY; ATMOSPHERE; TRANSPORT AB Earth's surface will continue to warm for decades, and the sea level to rise for centuries, even if the atmospheric concentration of greenhouse gases (GHGs) is held fixed at current levels. This is referred to as "committed" climate change because it is essentially unavoidable. Committed climate change arises clue to the large thermal inertia of the oceans and their consequent time lag in adjusting to altered GHG concentrations. This work describes the basic heat balance of the oceans, the physical reasons for the long time lag in ocean temperature and sea-level rise, and the observational evidence for human-induced ocean warming over the past 50 years. C1 [Pierce, David W.; Barnett, Tim P.] Scripps Inst Oceanog, Div Climate Atmospher Sci & Phys Oceanog, La Jolla, CA 92093 USA. [Gleckler, Peter J.] Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA 94550 USA. RP Pierce, DW (reprint author), Scripps Inst Oceanog, Div Climate Atmospher Sci & Phys Oceanog, La Jolla, CA 92093 USA. EM dpierce@ucsd.edu NR 91 TC 4 Z9 4 U1 19 U2 43 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 1543-5938 BN 978-0-8243-2336-3 J9 ANNU REV ENV RESOUR JI Annu. Rev. Environ. Resour PY 2011 VL 36 BP 27 EP 43 DI 10.1146/annurev-environ-022610-112928 PG 17 WC Environmental Sciences; Environmental Studies SC Environmental Sciences & Ecology GA BYP43 UT WOS:000299610900002 ER PT S AU McMahon, JE Price, SK AF McMahon, James E. Price, Sarah K. BE Gadgil, A Liverman, DM TI Water and Energy Interactions SO ANNUAL REVIEW OF ENVIRONMENT AND RESOURCES, VOL 36 SE Annual Review of Environment and Resources LA English DT Review; Book Chapter DE bioenergy; fuel production; thermal electric power; virtual water; water services ID SUSTAINABILITY; TECHNOLOGIES; FOOTPRINT; CHINA AB Human habitations require energy and water, which are increasingly interdependent. Energy systems have changed from using water for mechanical energy to building dams to provide irrigation water for agriculture and hydroelectricity. Large volumes of water are required to cool thermal electricity-generating stations whether coal, natural gas, nuclear, or solar powered. Changes in cooling technology are reducing water withdrawals while increasing water consumption. Water produced from fossil fuel production represents environmental challenges and supply opportunities. Some renewable energy sources, such as wind turbines and photovoltaics, have far lower water requirements. Increasing development of biofuels creates a direct connection between water and energy systems. Energy, mostly for pumps, is necessary for supplying potable water and treating wastewater. Pumping from deeper underground as well as removing more contaminants (e.g., medicines, agricultural chemicals) and salt requires more energy. Water and wastewater treatment can dominate electricity demand in municipalities. Water reuse requires energy for treatment and pumping. Life cycle assessments and integrated resource planning strive to account for the total impacts. C1 [McMahon, James E.; Price, Sarah K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Anal Dept, Berkeley, CA 94720 USA. RP McMahon, JE (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Anal Dept, Berkeley, CA 94720 USA. EM jemcmahon@lbl.gov; SKPrice2@lbl.gov NR 118 TC 27 Z9 28 U1 4 U2 82 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 1543-5938 BN 978-0-8243-2336-3 J9 ANNU REV ENV RESOUR JI Annu. Rev. Environ. Resour PY 2011 VL 36 BP 163 EP 191 DI 10.1146/annurev-environ-061110-103827 PG 29 WC Environmental Sciences; Environmental Studies SC Environmental Sciences & Ecology GA BYP43 UT WOS:000299610900007 ER PT S AU Gilbert, JA Dupont, CL AF Gilbert, Jack A. Dupont, Christopher L. BE Carlson, CA Giovannoni, SJ TI Microbial Metagenomics: Beyond the Genome SO ANNUAL REVIEW OF MARINE SCIENCE, VOL 3 SE Annual Review of Marine Science LA English DT Review; Book Chapter DE bacteria; communities; bioinformatics; annotation; next generation sequencing; function ID MARINE-BACTERIA; COMMUNITY GENOMICS; SURFACE WATERS; UNCULTURED MICROORGANISMS; ENVIRONMENTAL GENOMICS; PELAGIBACTER-UBIQUE; ESCHERICHIA-COLI; GENE-EXPRESSION; ATLANTIC-OCEAN; DNA FRAGMENTS AB Metagenomics literally means "beyond the genome." Marine microbial metagenomic databases presently comprise similar to 400 billion base pairs of DNA, only similar to 3% of that found in 1 ml of seawater. Very soon a trillion-base-pair sequence run will be feasible, so it is time to reflect on what we have learned from metagenomics. We review the impact of metagenomics on our understanding of marine microbial communities. We consider the studies facilitated by data generated through the Global Ocean Sampling expedition, as well as the revolution wrought at the individual laboratory level through next generation sequencing technologies. We review recent studies and discoveries since 2008, provide a discussion of bioinformatic analyses, including conceptual pipelines and sequence annotation and predict the future of metagenomics, with suggestions of collaborative community studies tailored toward answering some of the fundamental questions in marine microbial ecology. C1 [Gilbert, Jack A.] Plymouth Marine Lab, Plymouth PL1 3DH, Devon, England. [Gilbert, Jack A.] Argonne Natl Lab, Argonne, IL 60439 USA. [Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA. [Dupont, Christopher L.] J Craig Venter Inst, San Diego, CA 92121 USA. RP Gilbert, JA (reprint author), Plymouth Marine Lab, Citadel Hill, Plymouth PL1 3DH, Devon, England. EM gilbertjack@gmail.com; cdupont@jcvi.org NR 133 TC 99 Z9 101 U1 9 U2 161 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 1941-1405 BN 978-0-8243-4503-7 J9 ANNU REV MAR SCI JI Annu. Rev. Mar. Sci. PY 2011 VL 3 BP 347 EP 371 DI 10.1146/annurev-marine-120709-142811 PG 25 WC Geochemistry & Geophysics; Marine & Freshwater Biology; Oceanography SC Geochemistry & Geophysics; Marine & Freshwater Biology; Oceanography GA BTE33 UT WOS:000286638700013 PM 21329209 ER PT S AU Bardeen, MG Johansson, KE Young, MJ AF Bardeen, Marjorie G. Johansson, K. Erik Young, M. Jean BE Holstein, BR Haxton, WC Jawahery, A TI Particle Physics Outreach to Secondary Education SO ANNUAL REVIEW OF NUCLEAR AND PARTICLE SCIENCE, VOL 61 SE Annual Review of Nuclear and Particle Science LA English DT Review; Book Chapter DE research experiences; data for students; instructional materials; classroom equipment; cosmic-ray studies; research findings AB This review summarizes exemplary secondary education and outreach programs of the particle physics community. We examine programs from the following areas: research experiences, high-energy physics data for students, informal learning for students, instructional resources, and professional development. We report findings about these programs' impact on students and teachers and provide suggestions for practices that create effective programs from those findings. We also include some methods for assessing programs. C1 [Bardeen, Marjorie G.] Fermilab Natl Accelerator Lab, Educ Off, Batavia, IL 60510 USA. [Johansson, K. Erik] Stockholm Univ, Dept Phys, S-10691 Stockholm, Sweden. [Young, M. Jean] MJ Young & Associates, Tucson, AZ 85704 USA. RP Bardeen, MG (reprint author), Fermilab Natl Accelerator Lab, Educ Off, POB 500, Batavia, IL 60510 USA. EM mbardeen@fnal.gov; kej@physto.se; jyoung@dakotacom.net NR 18 TC 0 Z9 0 U1 1 U2 5 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 0163-8998 BN 978-0-8243-1561-0 J9 ANNU REV NUCL PART S JI Annu. Rev. Nucl. Part. Sci. PY 2011 VL 61 BP 149 EP 170 DI 10.1146/annurev-nucl-102010-130421 PG 22 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BYL24 UT WOS:000299231300007 ER PT S AU Heinson, A Junk, TR AF Heinson, Ann Junk, Thomas R. BE Holstein, BR Haxton, WC Jawahery, A TI Observation of Single Top Quark Production SO ANNUAL REVIEW OF NUCLEAR AND PARTICLE SCIENCE, VOL 61 SE Annual Review of Nuclear and Particle Science LA English DT Review; Book Chapter DE electroweak production; Tevatron; Large Hadron Collider; advanced analysis techniques; CKM matrix element V-tb ID W-GLUON FUSION; LARGE-TRANSVERSE-MOMENTUM; HADRON COLLIDERS; FERMILAB TEVATRON; EVENT GENERATOR; GAUGE BOSONS; MASSLESS PARTICLES; BROKEN SYMMETRIES; D0 COLLABORATION; NEURAL NETWORKS AB The field of experimental particle physics has become more sophisticated over time, as fewer, larger experimental collaborations search for small signals in samples with large components of background. The search for and the observation of electroweak single top quark production by the CDF and DO Collaborations at Fermilab's Tevatron collider are an example of an elaborate effort to measure the rate of a very rare process in the presence of large backgrounds and to learn about the properties of the top quark's weak interaction. We present the techniques used to make this groundbreaking measurement and the interpretation of the results in the context of the Standard Model. C1 [Heinson, Ann] Univ Calif Riverside, Dept Phys & Astron, Riverside, CA 92521 USA. [Junk, Thomas R.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Heinson, A (reprint author), Univ Calif Riverside, Dept Phys & Astron, Riverside, CA 92521 USA. EM ann.heinson@ucr.edu; trj@fnal.gov NR 151 TC 7 Z9 7 U1 0 U2 5 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 0163-8998 BN 978-0-8243-1561-0 J9 ANNU REV NUCL PART S JI Annu. Rev. Nucl. Part. Sci. PY 2011 VL 61 BP 171 EP 196 DI 10.1146/annurev-nucl-102010-1304-16 PG 26 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BYL24 UT WOS:000299231300008 ER PT S AU Bhat, PC AF Bhat, Pushpalatha C. BE Holstein, BR Haxton, WC Jawahery, A TI Multivariate Analysis Methods in Particle Physics SO ANNUAL REVIEW OF NUCLEAR AND PARTICLE SCIENCE, VOL 61 SE Annual Review of Nuclear and Particle Science LA English DT Review; Book Chapter DE advanced methods; optimal analysis; neural networks; Bayesian inference; Tevatron; LHC ID MODEL HIGGS-BOSON; ARTIFICIAL NEURAL-NETWORKS; SCALAR LEPTOQUARK PAIRS; BOOSTED DECISION TREES; TOP-QUARK PRODUCTION; HIGH-ENERGY PHYSICS; STANDARD MODEL; (P)OVER-BAR-P COLLISIONS; E(+)E(-) COLLISIONS; MASSLESS PARTICLES AB Each generation of high-energy physics experiments is grander ill scale than the previous-more powerful, more complex, and more demanding in terms of data handling and analysis. The spectacular performance of the Tevatron and the beginning of operations at the Large Hadron Collider have placed us at the threshold of a new era in particle physics. The discovery of the Higgs boson, or another agent of electroweak symmetry breaking, and evidence of new physics may be just around the corner. The greatest challenge in these pursuits is to extract the extremely rare signals, if any, from the huge backgrounds that arise from known physics processes. The use of advanced analysis techniques is crucial in achieving this goal. In this review, I discuss the concepts of optimal analysis, some important advanced analysis methods, and a few examples. The judicious use of these advanced methods should enable new discoveries and produce results with better precision, robustness, and clarity. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Bhat, PC (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM pushpa@fnal.gov NR 102 TC 19 Z9 19 U1 2 U2 13 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 0163-8998 BN 978-0-8243-1561-0 J9 ANNU REV NUCL PART S JI Annu. Rev. Nucl. Part. Sci. PY 2011 VL 61 BP 281 EP 309 DI 10.1146/annurev.nucl.012809.104427 PG 29 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BYL24 UT WOS:000299231300012 ER PT S AU Campbell, J Mangano, M AF Campbell, John Mangano, Michelangelo BE Holstein, BR Haxton, WC Jawahery, A TI Associated Production of W/Z Gauge Bosons and Jets in Hadronic Collisions SO ANNUAL REVIEW OF NUCLEAR AND PARTICLE SCIENCE, VOL 61 SE Annual Review of Nuclear and Particle Science LA English DT Review; Book Chapter DE Tevatron; LHC; QCD; vector bosons ID HIGH-PT W; CROSS-SECTIONS; P(P)OVER-BAR COLLISIONS; ROOT-S=1.96 TEV; QCD; COLLIDERS; DISTRIBUTIONS; SIMULATION; TEVATRON; PHYSICS AB Most new particles predicted by theories beyond the Standard Model of particle physics decay to jets and electroweak gauge bosons, Wand Z. The search and study of these particles therefore require a solid understanding of the associated production of W/Z and jets. This review provides an introduction to the theoretical and experimental aspects of these processes in the context of the Standard Model. First, we introduce the challenges presented by the calculation of the production properties of W/Z plus jets in hadronic collisions and review the tools developed to quantitatively characterize such final states. Then, we summarize the current experimental results at the Tevatron and LHC colliders and discuss the comparison between the available data and the theoretical predictions. C1 [Campbell, John] Fermilab Natl Accelerator Lab, Theory Grp, Batavia, IL 60510 USA. [Mangano, Michelangelo] CERN, TH PH, CH-1211 Geneva 23, Switzerland. RP Campbell, J (reprint author), Fermilab Natl Accelerator Lab, Theory Grp, POB 500, Batavia, IL 60510 USA. EM johnmc@fnal.gov; mlm@cern.ch NR 80 TC 1 Z9 1 U1 0 U2 5 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 0163-8998 BN 978-0-8243-1561-0 J9 ANNU REV NUCL PART S JI Annu. Rev. Nucl. Part. Sci. PY 2011 VL 61 BP 311 EP 330 DI 10.1146/annurev-nucl-102010-130450 PG 20 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BYL24 UT WOS:000299231300013 ER PT S AU Bryman, D Marciano, WJ Tschirhart, R Yamanaka, T AF Bryman, Douglas Marciano, William J. Tschirhart, Robert Yamanaka, Taku BE Holstein, BR Haxton, WC Jawahery, A TI Rare Kaon and Pion Decays: Incisive Probes for New Physics Beyond the Standard Model SO ANNUAL REVIEW OF NUCLEAR AND PARTICLE SCIENCE, VOL 61 SE Annual Review of Nuclear and Particle Science LA English DT Review; Book Chapter DE kaons; pions; rare decays ID ENDCAP PHOTON DETECTOR; BRANCHING RATIO; PERFORMANCE; SEARCH; DESIGN AB We review the current status and future prospects of rare kaon and pion decay research programs. Our emphasis is on experimental probes of New Physics beyond the Standard Model via the theoretically pristine K -> pi upsilon(upsilon) over bar decays and precision tests of electron-muon universality. These studies test the Standard Model at the level of its quantum-loop predictions and have the potential to uncover new interactions beyond the O(1,000 TeV) scale. C1 [Bryman, Douglas] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z1, Canada. [Marciano, William J.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Tschirhart, Robert] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Yamanaka, Taku] Osaka Univ, Dept Phys, Suita, Osaka 5650871, Japan. RP Bryman, D (reprint author), Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z1, Canada. EM bryman@triumf.ca; marciano@bnl.gov; tsch@fnal.gov; taku@hep.sci.osaka-u.ac.jp OI Bryman, Douglas/0000-0002-9691-0775 NR 74 TC 12 Z9 12 U1 0 U2 1 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 0163-8998 BN 978-0-8243-1561-0 J9 ANNU REV NUCL PART S JI Annu. Rev. Nucl. Part. Sci. PY 2011 VL 61 BP 331 EP 354 DI 10.1146/annurev-nucl-102010-130431 PG 24 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BYL24 UT WOS:000299231300014 ER PT S AU Gallagher, H Garvey, G Zeller, GP AF Gallagher, H. Garvey, G. Zeller, G. P. BE Holstein, BR Haxton, WC Jawahery, A TI Neutrino-Nucleus Interactions SO ANNUAL REVIEW OF NUCLEAR AND PARTICLE SCIENCE, VOL 61 SE Annual Review of Nuclear and Particle Science LA English DT Review; Book Chapter DE neutrino; quasi-elastic ID QUASI-ELASTIC SCATTERING; CROSS-SECTIONS; ELECTRON-SCATTERING; ANTINEUTRINO INTERACTIONS; BUBBLE-CHAMBER; AXIAL-VECTOR; RESPONSE FUNCTIONS; FORM-FACTOR; DEUTERIUM; ENERGIES AB The study of neutrino oscillations has necessitated a new generation of neutrino experiments that are exploring neutrino-nuclear scattering processes. We focus in particular on charged-current quasi-elastic scattering, a particularly important channel that has been extensively investigated both in the bubble-chamber era and by current experiments. Recent results have led to theoretical reexamination of this process. We review the standard picture of quasi-elastic scattering as developed in electron scattering, review and discuss experimental results, and discuss additional nuclear effects such as exchange currents and short-range correlations that may play a significant role in neutrino-nucleus scattering. C1 [Gallagher, H.] Tufts Univ, Dept Phys, Medford, MA 02155 USA. [Garvey, G.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Zeller, G. P.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Gallagher, H (reprint author), Tufts Univ, Dept Phys, Medford, MA 02155 USA. EM hugh.gallagher@tufts.edu; garvey@lanl.gov; gzeller@fnal.gov NR 105 TC 29 Z9 29 U1 1 U2 4 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 0163-8998 BN 978-0-8243-1561-0 J9 ANNU REV NUCL PART S JI Annu. Rev. Nucl. Part. Sci. PY 2011 VL 61 BP 355 EP 378 DI 10.1146/annurev-nucl-102010-130255 PG 24 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BYL24 UT WOS:000299231300015 ER PT S AU Castner, EW Margulis, CJ Maroncelli, M Wishart, JF AF Castner, Edward W., Jr. Margulis, Claudio J. Maroncelli, Mark Wishart, James F. BE Leone, SR Cremer, PS Groves, JT Johnson, MA TI Ionic Liquids: Structure and Photochemical Reactions SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 62 SE Annual Review of Physical Chemistry LA English DT Review; Book Chapter DE nanostructural organization; structure factors; electron transfer; dynamic heterogeneity; distributed kinetics; ionic liquid ID ELECTRON-TRANSFER REACTIONS; MOLECULAR-DYNAMICS SIMULATIONS; INTRAMOLECULAR PROTON-TRANSFER; EXCITED-STATE DYNAMICS; ROOM-TEMPERATURE; 1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE; CHARGE-TRANSFER; HETEROGENEOUS DYNAMICS; PHYSICAL-CHEMISTRY; REDOX PROCESSES AB Ionic liquids are subjects of intense current interest within the physical chemistry community. A great deal of progress has been made in just the past five years toward identifying the factors that cause these salts to have low melting points and other useful properties. Supramolecular structure and organization have emerged as important and complicated topics that may be key to understanding how chemical reactions and other processes are affected by ionic liquids. New questions are posed, and an active debate is ongoing regarding the nature of nanoscale ordering in ionic liquids. The topic of reactivity in ionic liquids is still relatively unexplored; however, the results that have been obtained indicate that distributed kinetics and dynamical heterogeneity may sometimes, but not always, be influencing factors. C1 [Castner, Edward W., Jr.] Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ 08854 USA. [Margulis, Claudio J.] Univ Iowa, Dept Chem, Iowa City, IA 52242 USA. [Maroncelli, Mark] Penn State Univ, Dept Chem, University Pk, PA 16802 USA. [Wishart, James F.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Castner, EW (reprint author), Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ 08854 USA. EM ed.castner@rutgers.edu; claudio-margulis@uiowa.edu; Maroncelli@psu.edu; wishart@bnl.gov RI Maroncelli, Mark/A-1800-2012; Wishart, James/L-6303-2013 OI Wishart, James/0000-0002-0488-7636 NR 139 TC 177 Z9 177 U1 13 U2 138 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 0066-426X BN 978-0-8243-1062-2 J9 ANNU REV PHYS CHEM JI Annu. Rev. Phys. Chem. PY 2011 VL 62 BP 85 EP 105 DI 10.1146/annurev-physchem-032210-103421 PG 21 WC Chemistry, Physical SC Chemistry GA BUX68 UT WOS:000290636800005 PM 21091193 ER PT S AU Ushizima, D Parkinson, D Nico, P Ajo-Franklin, J Macdowell, A Kocar, B Bethel, W Sethian, J AF Ushizima, Daniela Parkinson, Dilworth Nico, Peter Ajo-Franklin, Jonathan Macdowell, Alastair Kocar, Benjamin Bethel, Wes Sethian, James BE Tescher, AG TI Statistical segmentation and porosity quantification of 3D X-ray micro-tomography SO APPLICATIONS OF DIGITAL IMAGE PROCESSING XXXIV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Applications of Digital Image Processing XXXIV CY AUG 22-24, 2011 CL San Diego, CA SP SPIE DE segmentation; porosity; visualization; x-ray tomography; carbon sequestration ID IMAGE SEGMENTATION AB High-resolution x-ray micro-tomography is used for imaging of solid materials at micrometer scale in 3D. Our goal is to implement nondestructive techniques to quantify properties in the interior of solid objects, including information on their 3D geometries, which supports modeling of the fluid dynamics into the pore space of the host object. The micro-tomography data acquisition process generates large data sets that are often difficult to handle with adequate performance when using current standard computing and image processing algorithms. We propose an efficient set of algorithms to filter, segment and extract features from stacks of image slices of porous media. The first step tunes scale parameters to the filtering algorithm, then it reduces artifacts using a fast anisotropic filter applied to the image stack, which smoothes homogeneous regions while preserving borders. Next, the volume is partitioned using statistical region merging, exploiting the intensity similarities of each segment. Finally, we calculate the porosity of the material based on the solid-void ratio. Our contribution is to design a pipeline tailored to deal with large data-files, including a scheme for the user to input image patches for tuning parameters to the datasets. We illustrate our methodology using more than 2,000 micro-tomography image slices from 4 different porous materials, acquired using high-resolution X-ray. Also, we compare our results with standard, yet fast algorithms often used for image segmentation, which includes median filtering and thresholding. C1 [Ushizima, Daniela; Bethel, Wes] Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Ushizima, D (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. EM dushizima@lbl.gov RI Ajo-Franklin, Jonathan/G-7169-2015; Nico, Peter/F-6997-2010; OI Nico, Peter/0000-0002-4180-9397; Ajo-Franklin, Jonathan/0000-0002-6666-4702 NR 33 TC 0 Z9 0 U1 0 U2 8 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-745-2 J9 PROC SPIE PY 2011 VL 8135 AR 813502 DI 10.1117/12.892809 PG 14 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BXY81 UT WOS:000297641400001 ER PT J AU Vishnivetskaya, TA Mosher, JJ Palumbo, AV Yang, ZK Podar, M Brown, SD Brooks, SC Gu, BH Southworth, GR Drake, MM Brandt, CC Elias, DA AF Vishnivetskaya, Tatiana A. Mosher, Jennifer J. Palumbo, Anthony V. Yang, Zamin K. Podar, Mircea Brown, Steven D. Brooks, Scott C. Gu, Baohua Southworth, George R. Drake, Meghan M. Brandt, Craig C. Elias, Dwayne A. TI Mercury and Other Heavy Metals Influence Bacterial Community Structure in Contaminated Tennessee Streams SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID SULFATE-REDUCING BACTERIA; DESULFOVIBRIO-DESULFURICANS LS; URANIUM MILL TAILINGS; SP-NOV.; PHYLUM VERRUCOMICROBIA; MICROBIAL COMMUNITY; GEN. NOV.; GEOBACTER-SULFURREDUCENS; METHANE OXIDATION; COAL COMBUSTION AB High concentrations of uranium, inorganic mercury [Hg(II)], and methylmercury (MeHg) have been detected in streams located in the Department of Energy reservation in Oak Ridge, TN. To determine the potential effects of the surface water contamination on the microbial community composition, surface stream sediments were collected 7 times during the year, from 5 contaminated locations and 1 control stream. Fifty-nine samples were analyzed for bacterial community composition and geochemistry. Community characterization was based on GS 454 FLX pyrosequencing with 235 Mb of 16S rRNA gene sequence targeting the V4 region. Sorting and filtering of the raw reads resulted in 588,699 high-quality sequences with lengths of >200 bp. The bacterial community consisted of 23 phyla, including Proteobacteria (ranging from 22.9 to 58.5% per sample), Cyanobacteria (0.2 to 32.0%), Acidobacteria (1.6 to 30.6%), Verrucomicrobia (3.4 to 31.0%), and unclassified bacteria. Redundancy analysis indicated no significant differences in the bacterial community structure between midchannel and near-bank samples. Significant correlations were found between the bacterial community and seasonal as well as geochemical factors. Furthermore, several community members within the Proteobacteria group that includes sulfate-reducing bacteria and within the Verrucomicrobia group appeared to be associated positively with Hg and MeHg. This study is the first to indicate an influence of MeHg on the in situ microbial community and suggests possible roles of these bacteria in the Hg/MeHg cycle. C1 [Vishnivetskaya, Tatiana A.; Mosher, Jennifer J.; Palumbo, Anthony V.; Yang, Zamin K.; Podar, Mircea; Brown, Steven D.; Drake, Meghan M.; Brandt, Craig C.; Elias, Dwayne A.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Brooks, Scott C.; Gu, Baohua; Southworth, George R.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Elias, DA (reprint author), Oak Ridge Natl Lab, Biosci Div, POB 2008,MS-6036, Oak Ridge, TN 37831 USA. EM eliasda@ornl.gov RI Palumbo, Anthony/A-4764-2011; Drake, Meghan/A-6446-2011; Elias, Dwayne/B-5190-2011; Brooks, Scott/B-9439-2012; Gu, Baohua/B-9511-2012; Brown, Steven/A-6792-2011; OI Palumbo, Anthony/0000-0002-1102-3975; Drake, Meghan/0000-0001-7969-4823; Vishnivetskaya, Tatiana/0000-0002-0660-023X; Elias, Dwayne/0000-0002-4469-6391; Brooks, Scott/0000-0002-8437-9788; Gu, Baohua/0000-0002-7299-2956; Brown, Steven/0000-0002-9281-3898; Podar, Mircea/0000-0003-2776-0205 FU United States Department of Energy under Office of Biological and Environmental Research, Office of Science; Department of Energy [DE-AC05-00OR22725] FX This research was supported by the United States Department of Energy under the Environmental Remediation Sciences Program (ERSP), Office of Biological and Environmental Research, Office of Science. Oak Ridge National Laboratory is managed by University of Tennessee UT-Battelle LLC for the Department of Energy under contract DE-AC05-00OR22725. NR 82 TC 48 Z9 48 U1 6 U2 64 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD JAN PY 2011 VL 77 IS 1 BP 302 EP 311 DI 10.1128/AEM.01715-10 PG 10 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 697WK UT WOS:000285550300032 PM 21057024 ER PT J AU Eichorst, SA Kuske, CR Schmidt, TM AF Eichorst, Stephanie A. Kuske, Cheryl R. Schmidt, Thomas M. TI Influence of Plant Polymers on the Distribution and Cultivation of Bacteria in the Phylum Acidobacteria SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID 16S RIBOSOMAL-RNA; RHIZOSPHERE SOIL AGGREGATION; PALEOLITHIC PAINTINGS; GEN. NOV.; MICROBIAL COMMUNITIES; PHYLOGENETIC ANALYSES; SEQUENCE DATA; WASTE-WATER; DIVERSITY; MEMBERS AB Members of the phylum Acidobacteria are among the most abundant bacteria in soil. Although they have been characterized as versatile heterotrophs, it is unclear if the types and availability of organic resources influence their distribution in soil. The potential for organic resources to select for different acidobacteria was assessed using molecular and cultivation-based approaches with agricultural and managed grassland soils in Michigan. The distribution of acidobacteria varied with the carbon content of soil: the proportion of subdivision 4 sequences was highest in agricultural soils (ca. 41%) that contained less carbon than grassland soils, where the proportions of subdivision 1, 3, 4, and 6 sequences were similar. Either readily oxidizable carbon or plant polymers were used as the sole carbon and energy source to isolate heterotrophic bacteria from these soils. Plant polymers increased the diversity of acidobacteria cultivated but decreased the total number of heterotrophs recovered compared to readily oxidizable carbon. Two phylogenetically novel Acidobacteria strains isolated on the plant polymer medium were characterized. Strains KBS 83 (subdivision 1) and KBS 96 (subdivision 3) are moderate acidophiles with pH optima of 5.0 and 6.0, respectively. Both strains grew slowly (mu = 0.01 h(-1)) and harbored either 1 (strain KBS 83) or 2 (strain KBS 96) copies of the 16S rRNA encoding gene-a genomic characteristic typical of oligotrophs. Strain KBS 83 is a microaerophile, growing optimally at 8% oxygen. These metabolic characteristics help delineate the niches that acidobacteria occupy in soil and are consistent with their widespread distribution and abundance. C1 [Eichorst, Stephanie A.; Kuske, Cheryl R.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Schmidt, Thomas M.] Michigan State Univ, Dept Microbiol & Mol Genet, E Lansing, MI 48824 USA. [Schmidt, Thomas M.] Michigan State Univ, Kellogg Biol Stn, E Lansing, MI 48824 USA. RP Eichorst, SA (reprint author), Los Alamos Natl Lab, Biosci Div, Mailstop M888, Los Alamos, NM 87545 USA. EM s.eichorst@gmail.com RI Eichorst, Stephanie A/A-1079-2017; OI Eichorst, Stephanie A/0000-0002-9017-7461; Schmidt, Thomas/0000-0002-8209-6055 FU USDA [2001-35107-09939]; NSF [MCB-0135880]; NSF at the Kellogg Biological Station; Michigan Agricultural Experiment Station; Los Alamos National Laboratory FX This work was funded by the USDA (grant no. 2001-35107-09939), NSF (grant no. MCB-0135880), the NSF Long-Term Ecological Research Program at the Kellogg Biological Station, the Michigan Agricultural Experiment Station, and the Los Alamos National Laboratory. The U.S. DOE JGI generated some of the acidobacterial 16S rRNA gene sequences. NR 81 TC 63 Z9 67 U1 2 U2 42 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD JAN PY 2011 VL 77 IS 2 BP 586 EP 596 DI 10.1128/AEM.01080-10 PG 11 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 705PB UT WOS:000286147300025 PM 21097594 ER PT J AU Beeson, WT Iavarone, AT Hausmann, CD Cate, JHD Marletta, MA AF Beeson, William T. Iavarone, Anthony T. Hausmann, Corinne D. Cate, Jamie H. D. Marletta, Michael A. TI Extracellular Aldonolactonase from Myceliophthora thermophila SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID 3-CARBOXY-CIS,CIS-MUCONATE LACTONIZING ENZYME; NEUROSPORA-CRASSA; ESCHERICHIA-COLI; ENCODING 6-PHOSPHOGLUCONOLACTONASE; SPOROTRICHUM-THERMOPHILE; PSEUDOMONAS-AERUGINOSA; TRICHODERMA-REESEI; GENE; PGL; CYCLOISOMERASE AB Fungi secrete many different enzymes to deconstruct lignocellulosic biomass, including several families of hydrolases, oxidative enzymes, and many uncharacterized proteins. Here we describe the isolation, characterization, and primary sequence analysis of an extracellular aldonolactonase from the thermophilic fungus Myceliophthora thermophila (synonym Sporotrichum thermophile). The lactonase is a 48-kDa glycoprotein with a broad pH optimum. The enzyme catalyzes the hydrolysis of glucono-delta-lactone and cellobiono-delta-lactone with an apparent second-order rate constant, k(cat)/K(m), of similar to 1 x 10(6) M(-1) s(-1) at pH 5.0 and 25 degrees C but is unable tohydrolyze xylono-gamma-lactone or arabino-gamma-lactone. Sequence analyses of the lactonase show that it has distant homology to cis-carboxy-muconate lactonizing enzymes (CMLE) as well as 6-phosphogluconolactonases present in some bacteria. The M. thermophila genome contains two predicted extracellular lactonase genes, and expression of both genes is induced by the presence of pure cellulose. Homologues of the M. thermophila lactonase, which are also predicted to be extracellular, are present in nearly all known cellulolytic ascomycetes. C1 [Iavarone, Anthony T.; Cate, Jamie H. D.; Marletta, Michael A.] Univ Calif Berkeley, Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA. [Beeson, William T.; Cate, Jamie H. D.; Marletta, Michael A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Hausmann, Corinne D.; Cate, Jamie H. D.; Marletta, Michael A.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Cate, Jamie H. D.; Marletta, Michael A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Phys Biosci, Berkeley, CA 94720 USA. RP Marletta, MA (reprint author), Univ Calif Berkeley, Calif Inst Quantitat Biosci, 570 Stanley Hall, Berkeley, CA 94720 USA. EM marletta@berkeley.edu FU Energy Biosciences Institute; National Science Foundation; National Institutes of Health [1S10RR022393-01] FX This work was supported by a grant from the Energy Biosciences Institute. W.T.B. is the recipient of a National Science Foundation predoctoral fellowship. A mass spectrometer used in this study was acquired with National Institutes of Health support (grant number 1S10RR022393-01). NR 34 TC 18 Z9 18 U1 2 U2 10 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD JAN PY 2011 VL 77 IS 2 BP 650 EP 656 DI 10.1128/AEM.01922-10 PG 7 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 705PB UT WOS:000286147300033 PM 21075873 ER PT J AU Krumhansl, JL Nenoff, TM AF Krumhansl, James L. Nenoff, Tina M. TI Hydrotalcite-like layered bismuth-iodine-oxides as waste forms SO APPLIED GEOCHEMISTRY LA English DT Article ID AQUEOUS-SOLUTIONS; CRYSTAL-STRUCTURE; 25-DEGREES-C; CARBONATES; STABILITY; SEO32; ION AB The effective capture and storage of radiological I ((129)I) remains a significant concern for safe nuclear waste storage and safe nuclear energy. Due to its long half-life (1.6 x 10(7) a) and concerns for involvement in human metabolic processes, durable waste forms are of great interest and research focus. Long term durability is mimicked in geological analogs. As a result, the authors have utilizing a facile, in situ process of synthesizing mineral analogs of layered (hydrotalcite-like) bismuth-iodine-oxide waste forms that does not require advanced separation and isolation of the I species from the aqueous solution. Specifically, the phases are crystallized and precipitated out of the waste stream at room temperature by the simple titration of an acidified Bi nitrate solution which precipitates layered oxide phases; phase composition and I weight loading is determined by the Bi:I ratio in solution. Products are designed to combine high I loading levels with chemical durability. Several characterization techniques were employed to better understand the relationship between waste forms, their abilities to encapsulate I, and their stability under possible repository conditions. They include solubility leach testing with elevated levels of common ground water anions (Cl(-), HCO(3)(-), SO(4)(2-)), thermal stability testing, elemental analysis, X-ray diffraction and microscopy studies. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Nenoff, Tina M.] Sandia Natl Labs, Surface & Interface Sci Dept, Albuquerque, NM 87185 USA. [Krumhansl, James L.] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. RP Nenoff, TM (reprint author), Sandia Natl Labs, Surface & Interface Sci Dept, POB 5800, Albuquerque, NM 87185 USA. EM tmnenof@sandia.gov FU US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; US-DOE/NE program - FCRD-Separations Working Group FX The authors wish to thank Ashwath Rajan for his valuable help with the experiments. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. The authors acknowledge continued support for this research from the US-DOE/NE program - FCRD-Separations Working Group. NR 36 TC 27 Z9 27 U1 2 U2 20 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0883-2927 J9 APPL GEOCHEM JI Appl. Geochem. PD JAN PY 2011 VL 26 IS 1 BP 57 EP 64 DI 10.1016/j.apgeochem.2010.11.003 PG 8 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 717NM UT WOS:000287054700006 ER PT J AU Balic, M Rapp, N Stanzer, S Lin, H Strutz, J Szkandera, J Daidone, MG Samonigg, H Cote, RJ Dandachi, N AF Balic, Marija Rapp, Nadine Stanzer, Stefanie Lin, Henry Strutz, Jasmin Szkandera, Joanna Daidone, Maria Grazia Samonigg, Hellmut Cote, Richard James Dandachi, Nadia TI Novel Immunofluorescence Protocol for Multimarker Assessment of Putative Disseminating Breast Cancer Stem Cells SO APPLIED IMMUNOHISTOCHEMISTRY & MOLECULAR MORPHOLOGY LA English DT Article DE multimarker immunofluorescence; disseminated tumor cells; breast cancer stem cells; CD44(+); CD24(-); ALDH1 ID CIRCULATING TUMOR-CELLS; IN-VITRO PROPAGATION; BONE-MARROW; INITIATING CELLS; IDENTIFICATION; RESISTANCE; RADIATION; PHENOTYPE; HER-2 AB Purpose: The phenotypical and functional variety of breast cancer cells is well recognized. This variety is evident in primary tumors and in disseminated tumor cells (DTCs) and solid metastases as shown for recognized prognostic factors, such as estrogen receptor, progesterone receptor, or human epidermal growth factor receptor 2/neu and also for cancer stem cell markers such as CD44, CD24, or aldehyde dehydrogenase (ALDH). For the development of new therapeutic strategies, the identification and characterization of disseminated breast cancer cells are needed. This requires the use of multiple antibodies (ie, cytokeratin, Her2/neu, ALDH1, CD44, and CD24) labeled with fluorochromes of different colors and spectral image analysis to separate different color spectra. Methods: We have focused here on putative breast cancer stem cell markers and evaluated the feasibility of triple and quadruple labeling of breast cancer cells. Using breast cancer cell lines we have developed a method optimized for multimarker analysis by employing novel DyLight Technology. Single marker immunofluorescence was performed in 6 replicates, and reproducible results had to be obtained before proceeding to multimarker immunofluorescence. Results: Three of the markers, CD44, ALDH1, and cytokeratin have been directly conjugated with DyLight dyes. CD24 could not be conjugated directly to the fluorescent dye. A labeled secondary antibody was used for visualization. Single and multimarker immunofluorescence gave consistent results throughout the replicates. Conclusions: This novel protocol will facilitate detection and phenotypical characterization of disseminated tumor cells. In addition, by adding additional markers, distinct subpopulations could be evaluated for the expression of particular therapeutic targets. C1 [Balic, Marija; Rapp, Nadine; Stanzer, Stefanie; Strutz, Jasmin; Szkandera, Joanna; Samonigg, Hellmut; Dandachi, Nadia] Med Univ Graz, Dept Internal Med, Div Oncol, A-8036 Graz, Austria. [Lin, Henry] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. [Cote, Richard James] Univ Miami, Miller Sch Med, Dept Pathol, Miami, FL 33136 USA. [Daidone, Maria Grazia] Fdn IRCCS Ist Nazl Tumori, Dept Expt Oncol, Milan, Italy. RP Balic, M (reprint author), Med Univ Graz, Dept Internal Med, Div Oncol, Auenbruggerpl 15, A-8036 Graz, Austria. EM marija.balic@medunigraz.at RI Daidone, Maria Grazia/E-9232-2017 OI Daidone, Maria Grazia/0000-0002-4786-1321 FU Austrian National Bank [12762]; National Institute of Health/National Cancer Institute [R21 CA123027]; Italian Association for Cancer Research FX Supported by the Austrian National Bank Fund (Grant12762 to M.B.), National Institute of Health/National Cancer Institute (R21 CA123027 to R.J.C.), and Italian Association for Cancer Research (grant to M.G.D.). NR 21 TC 12 Z9 16 U1 0 U2 11 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1062-3345 J9 APPL IMMUNOHISTO M M JI Appl. Immunohistochem. PD JAN PY 2011 VL 19 IS 1 BP 33 EP 40 DI 10.1097/PAI.0b013e3181ebf4e8 PG 8 WC Anatomy & Morphology; Medical Laboratory Technology; Pathology SC Anatomy & Morphology; Medical Laboratory Technology; Pathology GA 696SU UT WOS:000285462500006 PM 20861793 ER PT J AU Hoehndorf, R Batchelor, C Bittner, T Dumontier, M Eilbeck, K Knight, R Mungall, CJ Richardson, JS Stombaugh, J Westhof, E Zirbel, CL Leontis, NB AF Hoehndorf, Robert Batchelor, Colin Bittner, Thomas Dumontier, Michel Eilbeck, Karen Knight, Rob Mungall, Chris J. Richardson, Jane S. Stombaugh, Jesse Westhof, Eric Zirbel, Craig L. Leontis, Neocles B. TI The RNA Ontology (RNAO): An ontology for integrating RNA sequence and structure data SO APPLIED ONTOLOGY LA English DT Article DE Ontology of molecules; RNA ontology; covalent bonding relation; non-covalent bonding relation; base pairing relation; base stacking relation; RNA motif; RNA sequence alignment ID BASE-PAIRS; ISOSTERICITY MATRICES; ALIGNMENT ONTOLOGY; NUCLEIC-ACID; INFORMATION; UNIFICATION; TOOL; CLASSIFICATION; NOMENCLATURE; ANNOTATIONS AB Biomedical Ontologies integrate diverse biomedical data and enable intelligent data-mining and help translate basic research into useful clinical knowledge. We present the RNA Ontology (RNAO), an ontology for integrating diverse RNA data, including RNA sequences and sequence alignments, three-dimensional structures, and biochemical and functional data. For example, individual atomic resolution RNA structures have broader significance as representatives of classes of homologous molecules, which can differ significantly in sequence while sharing core structural features and common roles or functions. Thus, structural data gain value by being linked to homologous sequences in genomic data and databases of sequence alignments. Likewise, the value of genomic data is enhanced by annotation of shared structural features, especially when these can be linked to specific functions. Moreover, the significance of biochemical, functional and mutational analyses of RNA molecules are most fully understood when linked to molecular structures and phylogenies. To achieve these goals, RNAO provides logically rigorous definitions of the components of RNA primary, secondary and tertiary structure and the relations between these entities. RNAO is being developed to comply with the developing standards of the Open Biomedical Ontologies (OBO) Consortium. The RNAO can be accessed at http://code.google.com/p/rnao/. C1 [Leontis, Neocles B.] Bowling Green State Univ, Dept Chem, Bowling Green, OH 43402 USA. [Batchelor, Colin] Royal Soc Chem, Cambridge, England. [Hoehndorf, Robert] Univ Cambridge, Dept Genet, Cambridge CB2 3EH, England. [Bittner, Thomas] SUNY Buffalo, Dept Philosophy, Buffalo, NY 14260 USA. [Dumontier, Michel] Carleton Univ, Sch Comp Sci, Dept Biol, Ottawa, ON K1S 5B6, Canada. [Eilbeck, Karen] Univ Utah, Dept Human Genet, Eccles Inst Human Genet, Salt Lake City, UT USA. [Knight, Rob; Stombaugh, Jesse] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [Mungall, Chris J.] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA USA. [Richardson, Jane S.] Duke Univ, Sch Med, Dept Biochem, Durham, NC USA. [Westhof, Eric] Univ Strasbourg, Architecture & React ARN, Inst Biol Mol & Cellulaire, CNRS, Strasbourg, France. [Knight, Rob] Univ Colorado, Howard Hughes Med Inst, Boulder, CO 80309 USA. [Zirbel, Craig L.] Bowling Green State Univ, Dept Math & Stat, Bowling Green, OH 43402 USA. RP Leontis, NB (reprint author), Bowling Green State Univ, Dept Chem, Bowling Green, OH 43402 USA. EM leontis@bgsu.edu RI Leontis, Neocles/E-8866-2011; Knight, Rob/D-1299-2010; OI Leontis, Neocles/0000-0003-3521-5119; Hoehndorf, Robert/0000-0001-8149-5890; Dumontier, Michel/0000-0003-4727-9435 FU RNA Ontology Consortium (ROC); Research Coordination Network (RCN) from the National Science Foundation [0443508] FX This paper is the result of collaborative meetings sponsored by the RNA Ontology Consortium (ROC). We thank all individuals who have taken part in ROC meetings and contributed their comments to improve the paper. We especially thank Fabian Neuhaus and the anonymous reviewers of this manuscript for their carefully reading and constructive and thoughtful comments. The ROC is supported by a Research Coordination Network (RCN) grant from the National Science Foundation (Grant no. 0443508). NR 45 TC 20 Z9 20 U1 0 U2 8 PU IOS PRESS PI AMSTERDAM PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS SN 1570-5838 J9 APPL ONTOL JI Appl. Ontol. PY 2011 VL 6 IS 1 BP 53 EP 89 DI 10.3233/AO-2011-0082 PG 37 WC Computer Science, Artificial Intelligence; Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA 769FO UT WOS:000290996800005 ER PT J AU Iida, K Hanisch, J Trommler, S Matias, V Haindl, S Kurth, F del Pozo, IL Huhne, R Kidszun, M Engelmann, J Schultz, L Holzapfel, B AF Iida, Kazumasa Haenisch, Jens Trommler, Sascha Matias, Vladimir Haindl, Silvia Kurth, Fritz del Pozo, Irene Lucas Huehne, Ruben Kidszun, Martin Engelmann, Jan Schultz, Ludwig Holzapfel, Bernhard TI Epitaxial Growth of Superconducting Ba(Fe1-xCox)(2)As-2 Thin Films on Technical Ion Beam Assisted Deposition MgO Substrates SO APPLIED PHYSICS EXPRESS LA English DT Article AB The biaxially textured growth of superconducting Co-doped BaFe2As2 (Ba-122) thin films has been realized on ion beam assisted deposition (IBAD) MgO coated conductor templates by employing an iron buffer architecture. The iron pnictide coated conductor showed a superconducting transition temperature of 21.5 K, which is slightly lower than that of Co-doped Ba-122 films on single crystalline MgO substrates. A self-field critical current density of over 10(5) A.cm(-2) has already been achieved even at 8 K. The current experiment highlights the potential of possible coated conductor applications of the iron-based superconductors. (C) 2011 The Japan Society of Applied Physics C1 [Iida, Kazumasa; Haenisch, Jens; Trommler, Sascha; Haindl, Silvia; Kurth, Fritz; del Pozo, Irene Lucas; Huehne, Ruben; Kidszun, Martin; Engelmann, Jan; Schultz, Ludwig; Holzapfel, Bernhard] Leibniz Inst Festkorper & Werkstoffforsch IFW Dre, D-01171 Dresden, Germany. [Matias, Vladimir] Los Alamos Natl Lab, Superconduct Technol Ctr, Los Alamos, NM 87545 USA. RP Iida, K (reprint author), Leibniz Inst Festkorper & Werkstoffforsch IFW Dre, POB 270116, D-01171 Dresden, Germany. RI Schultz, Ludwig/B-3383-2010; Hanisch, Jens/D-8503-2011; Huhne, Ruben/E-5017-2011; Iida, Kazumasa/C-5702-2013; lucas, Irene/K-7756-2014 OI Iida, Kazumasa/0000-0003-1038-9630; lucas, Irene/0000-0003-0271-8713 FU German Research Foundation FX The authors thank M. Kuhnel and U. Besold at Leibniz-Institut fur Festkorper-und Werkstoffforschung Dresden for their technical support. We also thank C. Sheehan at Los Alamos National Laboratory for supplying solution deposited substrates. This work was partially supported by the German Research Foundation. NR 14 TC 39 Z9 39 U1 2 U2 28 PU JAPAN SOC APPLIED PHYSICS PI TOKYO PA KUDAN-KITA BUILDING 5TH FLOOR, 1-12-3 KUDAN-KITA, CHIYODA-KU, TOKYO, 102-0073, JAPAN SN 1882-0778 J9 APPL PHYS EXPRESS JI Appl. Phys. Express PD JAN PY 2011 VL 4 IS 1 AR 013103 DI 10.1143/APEX.4.013103 PG 3 WC Physics, Applied SC Physics GA 704RK UT WOS:000286069900021 ER PT J AU Johnson, BE Santschi, PH Addleman, RS Douglas, M Davidson, JD Fryxell, GE Schwantes, JM AF Johnson, Bryce E. Santschi, Peter H. Addleman, Raymond Shane Douglas, Matt Davidson, Joseph D. Fryxell, Glen E. Schwantes, Jon M. TI Collection of fission and activation product elements from fresh and ocean waters A comparison of traditional and novel sorbents SO APPLIED RADIATION AND ISOTOPES LA English DT Article DE Chemisorption; Sorbents; Resins; Nanomaterials; Radionuclides; Fission products ID SELF-ASSEMBLED MONOLAYERS; PRECONCENTRATING MINICOLUMN SENSORS; MESOPOROUS SUPPORTS; NATURAL-WATERS; FUNCTIONALIZED MONOLAYERS; ACTINIDE SEQUESTRATION; MANGANESE-DIOXIDE; ION-EXCHANGE; HEAVY-METALS; SEAWATER AB Monitoring natural waters for the inadvertent release of radioactive fission products produced as a result of nuclear power generation downstream from these facilities is essential for maintaining water quality To this end we evaluated sorbents for simultaneous in-situ large volume extraction of radionuclides with both soft (e g Ag) and hard metal (e g Co Zr Nb Ba and Cs) or anionic (e g Ru Te Sb) character In this study we evaluated a number of conventional and novel nanoporous sorbents in both fresh and salt waters In most cases the nanoporous sorbents demonstrated enhanced retention of analytes Salinity had significant effects upon sorbent performance and was most significant for hard cations specifically Cs and Ba The presence of natural organic matter had little effect on the ability of chemisorbents to extract target elements (C) 2010 Published by Elsevier Ltd C1 [Johnson, Bryce E.; Santschi, Peter H.] Texas A&M Univ, Dept Marine Sci, Galveston, TX 77551 USA. [Addleman, Raymond Shane; Douglas, Matt; Davidson, Joseph D.; Fryxell, Glen E.; Schwantes, Jon M.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Schwantes, JM (reprint author), 902 Battelle Blvd,POB 999,MSIN P7 02, Richland, WA 99352 USA. RI Santschi, Peter/D-5712-2012; OI Douglas, Matthew/0000-0001-9708-1780 FU National Consortium for MASINT Research; National MASINT Management Office; Texas A&M University under DOE [DE-AC06-76RLO-1830]; IC [HM1582-08-1-0022]; NIH National Institute of Allergy and Infectious Diseases [R01-AI080502] FX This work was sponsored by the National Consortium for MASINT Research and the National MASINT Management Office conducted by Pacific Northwest National laboratory with support from Texas A&M University under DOE contract no DE-AC06-76RLO-1830 Additional support was received from IC Postdoctoral Research Fellowship (contract # HM1582-08-1-0022) and the NIH National Institute of Allergy and Infectious Diseases (R01-AI080502) NR 53 TC 12 Z9 12 U1 1 U2 20 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0969-8043 J9 APPL RADIAT ISOTOPES JI Appl. Radiat. Isot. PD JAN PY 2011 VL 69 IS 1 BP 205 EP 216 DI 10.1016/j.apradiso.2010.07.025 PG 12 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 683XT UT WOS:000284512300033 PM 20870414 ER PT J AU Kardol, P Reynolds, WN Norby, RJ Classen, AT AF Kardol, Paul Reynolds, W. Nicholas Norby, Richard J. Classen, Aimee T. TI Climate change effects on soil microarthropod abundance and community structure SO APPLIED SOIL ECOLOGY LA English DT Article DE Collembola; Elevated atmospheric CO2; Mites; Old fields; Precipitation; Warming ID ELEVATED ATMOSPHERIC CO2; OLD-FIELD ECOSYSTEM; WATER AVAILABILITY; FOREST FLOOR; POPULATION RESPONSES; TROPHIC INTERACTIONS; TEMPERATURE; CARBON; DECOMPOSITION; MOISTURE AB Long-term ecosystem responses to climate change strongly depend on how the soil subsystem and its inhabitants respond to these perturbations. Using open-top chambers, we studied the response of soil microarthropods to single and combined effects of ambient and elevated atmospheric [CO2], ambient and elevated temperatures and changes in precipitation in constructed old-fields in Tennessee, USA. Microarthropods were assessed five years after treatments were initiated and samples were collected in both November and June. Across treatments, mites and collembola were the most dominant microarthropod groups collected. We did not detect any treatment effects on microarthropod abundance. In November, but not in June, microarthropod richness, however, was affected by the climate change treatments. In November, total microarthropod richness was lower in dry than in wet treatments, and in ambient temperature treatments, richness was higher under elevated [CO2] than under ambient [CO2]. Differential responses of individual taxa to the climate change treatments resulted in shifts in community composition. In general, the precipitation and warming treatments explained most of the variation in community composition. Across treatments, we found that collembola abundance and richness were positively related to soil moisture content, and that negative relationships between collembola abundance and richness and soil temperature could be explained by temperature-related shifts in soil moisture content. Our data demonstrate how simultaneously acting climate change factors can affect the structure of soil microarthropod communities in old-field ecosystems. Overall, changes in soil moisture content, either as direct effect of changes in precipitation or as indirect effect of warming or elevated [CO2], had a larger impact on microarthropod communities than did the direct effects of the warming and elevated [CO2] treatments. Moisture-induced shifts in soil microarthropod abundance and community composition may have important impacts on ecosystem functions, such as decomposition, under future climatic change. (c) 2010 Elsevier B.V. All rights reserved. C1 [Kardol, Paul] Swedish Univ Agr Sci, Dept Forest Ecol & Management, S-90183 Umea, Sweden. [Kardol, Paul; Reynolds, W. Nicholas; Classen, Aimee T.] Univ Tennessee, Dept Ecol & Evolutionary Biol, Knoxville, TN 37996 USA. [Kardol, Paul; Norby, Richard J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Kardol, P (reprint author), Swedish Univ Agr Sci, Dept Forest Ecol & Management, S-90183 Umea, Sweden. EM Paul.Kardol@seksko.slu.se RI Classen, Aimee/C-4035-2008; Kardol, Paul/A-2600-2010; Norby, Richard/C-1773-2012; Kardol, Paul/N-8383-2015 OI Classen, Aimee/0000-0002-6741-3470; Norby, Richard/0000-0002-0238-9828; Kardol, Paul/0000-0001-7065-3435 FU U.S. Department of Energy, Office of Science [DE-FG02-02ER63366]; U.S. Department of Energy [DE-AC05-00OR22725] FX We thank J.A. Weltzin who was integral in establishing and designing this experiment. We thank E. Bernard for advice and use of equipment, and L. Souza for help with the statistical analyses. Research was sponsored by the U.S. Department of Energy, Office of Science, Biological and Environmental Research Program, Grant No. DE-FG02-02ER63366, and work was conducted in collaboration with Oak Ridge National Laboratory, which is managed by UT Battelle, LLC, for the U.S. Department of Energy under Contract DE-AC05-00OR22725. NR 57 TC 50 Z9 69 U1 2 U2 85 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0929-1393 J9 APPL SOIL ECOL JI Appl. Soil Ecol. PD JAN PY 2011 VL 47 IS 1 BP 37 EP 44 DI 10.1016/j.apsoil.2010.11.001 PG 8 WC Soil Science SC Agriculture GA 715UM UT WOS:000286913500006 ER PT J AU Herfort, L Peterson, TD McCue, LA Crump, BC Prahl, FG Baptista, AM Campbell, V Warnick, R Selby, M Roegner, GC Zuber, P AF Herfort, Lydie Peterson, Tawnya D. McCue, Lee Ann Crump, Byron C. Prahl, Fredrick G. Baptista, Antonio M. Campbell, Victoria Warnick, Rachel Selby, Mikaela Roegner, G. Curtis Zuber, Peter TI Myrionecta rubra population genetic diversity and its cryptophyte chloroplast specificity in recurrent red tides in the Columbia River estuary SO AQUATIC MICROBIAL ECOLOGY LA English DT Article DE Myrionecta rubra; Red tide; Cryptophyte; Diversity; Columbia River estuary ID CILIATE MESODINIUM-RUBRUM; RNA; IDENTIFICATION; PERFORMANCE; MIGRATION; SEQUENCES; SAMPLES; GROWTH; PREY AB For several decades, annually recurring blooms of the photosynthetic ciliate Myrionecta rubra have been observed in the Columbia River estuary in late summer. In an effort to understand the dynamics of these blooms, we investigated the genetic variability of M. rubra and its cryptophyte plastids within 3 large estuarine blooms formed in consecutive years (2007 to 2009), and conducted a broader spatial survey along the coasts of Oregon and Washington. Analysis of the '18S-28S' sequences specific for Mesodiniidae uncovered at least 5 variants of M. rubra within the Columbia River coastal margin in spring and summer, but only one of these M. rubra variants was implicated in estuary bloom formation. Using a multigene approach, we show that the bloom-forming variant of M. rubra appears to harbor the same cryptophyte chloroplast in recurring blooms. Analyses of chloroplast 16S rRNA, cryptophyte RuBisCO and Photosystem II D2 genes together suggest that the plastid is derived from Teleaulax amphioxeia. Free-living cells of this species and of other cryptophytes were practically absent from the bloom patches in the estuary main channels based on 18S rDNA sequence analyses. The respectively low and high proportions of T. amphioxeia nuclei and chloroplast signals found in the M. rubra bloom of the Columbia River estuary in successive years supports the notion of an association (either endosymbiosis or kleptoplastidy) between T. amphioxeia and the bloom-forming M. rubra variant, with loss of cryptophyte nuclei. The genetic variability of M. rubra uncovered here is relevant to the controversy in the literature regarding the cryptophyte/M. rubra association. C1 [Herfort, Lydie; Peterson, Tawnya D.; Baptista, Antonio M.; Campbell, Victoria; Warnick, Rachel; Selby, Mikaela; Zuber, Peter] Oregon Hlth & Sci Univ, Ctr Coastal Margin Observat & Predict, Beaverton, OR 97006 USA. [Herfort, Lydie; Peterson, Tawnya D.; Baptista, Antonio M.; Campbell, Victoria; Warnick, Rachel; Selby, Mikaela; Zuber, Peter] Oregon Hlth & Sci Univ, Div Environm & Biomol Syst, Beaverton, OR 97006 USA. [McCue, Lee Ann] Pacific NW Natl Lab, Richland, WA 99352 USA. [Crump, Byron C.] Univ Maryland, Ctr Environm Sci, Horn Point Lab, Cambridge, MD 21613 USA. [Prahl, Fredrick G.] Oregon State Univ, Coll Ocean & Atmospher Sci, Corvallis, OR 97331 USA. [Roegner, G. Curtis] NW Fisheries Sci Ctr, Point Adams Res Stn, Natl Marine Fisheries Serv, Natl Oceanog & Atmospher Adm, Hammond, OR 97121 USA. RP Herfort, L (reprint author), Oregon Hlth & Sci Univ, Ctr Coastal Margin Observat & Predict, Beaverton, OR 97006 USA. EM herfortl@ebs.ogi.edu OI McCue, Lee Ann/0000-0003-4456-517X; Baptista, Antonio/0000-0002-7641-5937 FU National Science Foundation [OCE-0424602]; Department of Energy's Office of Biological and Environmental Research FX We thank the captain, crew and scientific party of the RV 'Barnes' and RV 'New Horizon', Michael Wilkin of Oregon Health & Science University (OHSU), Katie Rathmell (OHSU), Greta Klungness (OHSU) and Chris LaPointe (OHSU) for their help with sample collection in 2007 to 2009 and Paul Turner (OHSU) for his help with generating the map. This study was carried out within the context of the Science and Technology Center for Coastal Margin Observation & Prediction (CMOP) supported by the National Science Foundation (grant number OCE-0424602). A portion of the research was performed using resources at the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. NR 37 TC 20 Z9 20 U1 2 U2 9 PU INTER-RESEARCH PI OLDENDORF LUHE PA NORDBUNTE 23, D-21385 OLDENDORF LUHE, GERMANY SN 0948-3055 J9 AQUAT MICROB ECOL JI Aquat. Microb. Ecol. PY 2011 VL 62 IS 1 BP 85 EP U106 DI 10.3354/ame01460 PG 17 WC Ecology; Marine & Freshwater Biology; Microbiology SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Microbiology GA 702ZT UT WOS:000285935100009 ER PT J AU Cooperman, A Dieckmann, J Brodrick, J AF Cooperman, Alissa Dieckmann, John Brodrick, James TI Condensing Technology For Home Water Heating SO ASHRAE JOURNAL LA English DT Article C1 [Cooperman, Alissa; Dieckmann, John] TIAX LLC, Mech Syst Grp, Cambridge, MA USA. [Brodrick, James] US DOE, Bldg Technol Program, Washington, DC USA. RP Cooperman, A (reprint author), TIAX LLC, Mech Syst Grp, Cambridge, MA USA. NR 7 TC 0 Z9 0 U1 0 U2 1 PU AMER SOC HEATING REFRIGERATING AIR-CONDITIONING ENG, INC, PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2491 J9 ASHRAE J JI ASHRAE J. PD JAN PY 2011 VL 53 IS 1 BP 49 EP + PG 3 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 703OT UT WOS:000285988800008 ER PT S AU Ridouane, EH Bianchi, MVA AF Ridouane, El Hassan Bianchi, Marcus V. A. GP ASHRAE TI Thermal Performance of Uninsulated and Partially Filled Wall Cavities SO ASHRAE TRANSACTIONS 2011, VOL 117, PT 2 SE ASHRAE Transactions LA English DT Proceedings Paper CT Annual Conference of the American-Society-of-Heating-Refrigerating-and-Air-Conditioning-Engineers (ASHRAE) CY JUN 25-29, 2011 CL Montreal, CANADA SP Amer Soc Heating Refrigerating & Air Conditioning Engineers (ASHRAE) ID NATURAL-CONVECTION; HEAT-TRANSFER; SQUARE ENCLOSURE; NUMERICAL-ANALYSIS; FACADE ELEMENTS; RADIATION; LAMINAR AB Low-rise, wood-framed homes are the most common type of residential structures in the United States. Wood wall construction supports roofs efficiently and provides a stable frame for attaching interior and exterior wall coverings. Wall cavities are prevalent and increase thermal resistance, particularly when they are filled with insulating material. This paper describes detailed computational fluid dynamics modeling to evaluate the thermal performance of uninsulated or partially filled wall cavities and accounts for conduction through framing, convection, and radiation. Parameters are ambient outdoor temperature, cavity surface emissivity, cavity aspect ratio, and insulation height. Understanding the thermal performance of uninsulated or partially insulated wall cavities is essential for conserving energy in residential buildings. The results can serve as input for building energy simulation tools such as DOE2 and EnergyPlus for modeling the temperature dependent energy performance of new and older homes with uninsulated or partially insulated walls. C1 [Ridouane, El Hassan; Bianchi, Marcus V. A.] Natl Renewable Energy Lab, Residential Bldg Syst Grp, Golden, CO 80401 USA. RP Ridouane, EH (reprint author), Natl Renewable Energy Lab, Residential Bldg Syst Grp, Golden, CO 80401 USA. NR 24 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2505 J9 ASHRAE TRAN PY 2011 VL 117 BP 91 EP 99 PN 2 PG 9 WC Thermodynamics; Construction & Building Technology SC Thermodynamics; Construction & Building Technology GA BDC23 UT WOS:000312557900012 ER PT S AU Lisell, L Metzger, I Dean, J AF Lisell, Lars Metzger, Ian Dean, Jesse GP ASHRAE TI SolOpt: A Novel Approach to Solar Rooftop Optimization SO ASHRAE TRANSACTIONS 2011, VOL 117, PT 2 SE ASHRAE Transactions LA English DT Proceedings Paper CT Annual Conference of the American-Society-of-Heating-Refrigerating-and-Air-Conditioning-Engineers (ASHRAE) CY JUN 25-29, 2011 CL Montreal, CANADA SP Amer Soc Heating Refrigerating & Air Conditioning Engineers (ASHRAE) AB Traditionally, photovoltaic (PV) and solar hot water (SHW) technologies have been designed with separate design tools, making it difficult to determine the appropriate mix of PV and SHW. A new tool developed at the National Renewable Energy Laboratory changes how the analysis is conducted through an integrated approach based on the life cycle cost effectiveness of each system. With 10 inputs, a person with only basic knowledge of the building can simulate energy production from PV and SHW, and predict the optimal size of each system. The user can also select from 5 optimization criteria: Greenhouse Gas Reduction, Net-Present Value, Renewable Energy Production, Levelized Cost of Energy, and Discounted Payback Period. SolOpt provides unique analysis capabilities not currently available in any other software programs. The optimization procedure and tool comparison study results with industry accepted tools for both SHW and PV are presented. C1 [Lisell, Lars; Metzger, Ian; Dean, Jesse] Natl Renewable Energy Lab, Integrated Applicat Ctr, Golden, CO USA. RP Lisell, L (reprint author), Natl Renewable Energy Lab, Integrated Applicat Ctr, Golden, CO USA. NR 6 TC 1 Z9 1 U1 0 U2 1 PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2505 J9 ASHRAE TRAN PY 2011 VL 117 BP 236 EP 243 PN 2 PG 8 WC Thermodynamics; Construction & Building Technology SC Thermodynamics; Construction & Building Technology GA BDC23 UT WOS:000312557900029 ER PT S AU Liu, GP Brambley, MR AF Liu, Guopeng Brambley, Michael R. GP ASHRAE TI Occupancy Based Control Strategy for Variable-Air-Volume (VAV) Terminal Box Systems SO ASHRAE TRANSACTIONS 2011, VOL 117, PT 2 SE ASHRAE Transactions LA English DT Proceedings Paper CT Annual Conference of the American-Society-of-Heating-Refrigerating-and-Air-Conditioning-Engineers (ASHRAE) CY JUN 25-29, 2011 CL Montreal, CANADA SP Amer Soc Heating Refrigerating & Air Conditioning Engineers (ASHRAE) ID HUMAN-INFORMATION SENSOR; INFRARED ARRAY DETECTOR; PEOPLE-COUNTING SYSTEM; DYNAMIC RESET AB The terminal box (TB) is one of the key components in variable-air-volume (VAV) systems. The minimum air flow set point of the VAV TB is an important factor to determining thermal comfort, indoor air quality and energy consumption. The newly developed occupancy based air distribution system control presented in this paper resets the minimum air flow set point for each TB based on the actual occupancy of the space served and ASHRAE ventilation standard. Differentiated from existing motion detection sensors on the market, building occupancy sensors count the number of occupants for each room. Occupancy data of each room, each zone and the whole building are collected and transferred to the building automation system (BAS) in real time using a wireless sensor network. The data are then used to determine the minimum air flow set point. This paper presents the system architecture, control strategy and available sensor technology. C1 [Liu, Guopeng; Brambley, Michael R.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Liu, GP (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. NR 28 TC 0 Z9 0 U1 1 U2 3 PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2505 J9 ASHRAE TRAN PY 2011 VL 117 BP 244 EP 252 PN 2 PG 9 WC Thermodynamics; Construction & Building Technology SC Thermodynamics; Construction & Building Technology GA BDC23 UT WOS:000312557900030 ER PT S AU Metzger, I VanGeet, O Rockenbaugh, C Dean, J Kurnik, C AF Metzger, Ian VanGeet, Otto Rockenbaugh, Caleb Dean, Jesse Kurnik, Chuck GP ASHRAE TI Psychrometric Bin Analysis for Alternative Cooling Strategies in Data Centers SO ASHRAE TRANSACTIONS 2011, VOL 117, PT 2 SE ASHRAE Transactions LA English DT Proceedings Paper CT Annual Conference of the American-Society-of-Heating-Refrigerating-and-Air-Conditioning-Engineers (ASHRAE) CY JUN 25-29, 2011 CL Montreal, CANADA SP Amer Soc Heating Refrigerating & Air Conditioning Engineers (ASHRAE) AB Data centers are significant energy users and require continuous cooling to maintain high levels of computing performance. The majority of data centers have direct-expansion cooling, which typically accounts for approximately 50% of the energy usage of data centers. However, using typical meteorological year 3 (TMY3) weather data and a simple psychrometric bin analysis, alternative cooling strategies using a combination of economizer, evaporative, and supplemental direct expansion (DX) cooling have been shown to be applicable in all climate zones in the United States. Average data center cooling energy savings across the U.S. was approximately 80%. An analysis of cooling energy savings is presented for various ASHRAE climate zones. The psychrometric bin analysis is conducted for the ASHRAE recommended and allowable operating environment zones as well as a modified allowable operating environment. Control strategies are discussed. Finally, examples of energy-efficient data centers using alternative cooling strategies are presented. C1 [Metzger, Ian; VanGeet, Otto; Rockenbaugh, Caleb; Dean, Jesse; Kurnik, Chuck] Natl Renewable Energy Lab, Deployment & Market Transformat D&MT Grp, Golden, CO 80401 USA. RP Metzger, I (reprint author), Natl Renewable Energy Lab, Deployment & Market Transformat D&MT Grp, Golden, CO 80401 USA. NR 9 TC 2 Z9 2 U1 0 U2 0 PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2505 J9 ASHRAE TRAN PY 2011 VL 117 BP 254 EP 261 PN 2 PG 8 WC Thermodynamics; Construction & Building Technology SC Thermodynamics; Construction & Building Technology GA BDC23 UT WOS:000312557900031 ER PT S AU Martinez-Moyano, IJ Zhao, F Simunich, KL Graziano, DJ Conzelmann, G AF Martinez-Moyano, Ignacio J. Zhao, Fei Simunich, Kathy L. Graziano, Diane J. Conzelmann, Guenter GP ASHRAE TI Modeling the Commercial Buildings Sector: an Agent-based Approach SO ASHRAE TRANSACTIONS 2011, VOL 117, PT 2 SE ASHRAE Transactions LA English DT Proceedings Paper CT Annual Conference of the American-Society-of-Heating-Refrigerating-and-Air-Conditioning-Engineers (ASHRAE) CY JUN 25-29, 2011 CL Montreal, CANADA SP Amer Soc Heating Refrigerating & Air Conditioning Engineers (ASHRAE) AB Achieving commercial building energy-efficiency targets strongly depends on the dynamics among the various market participants and how those dynamics are impacted by different physical and institutional constraints. We develop a Commercial Buildings Sector Agent-based Model (CoBAM) prototype that considers different types of decision makers and buildings - in different subsectors. For the simulations, we use data and characteristics of reference buildings developed by the U.S. Department of Energy to populate the model. These data, which address the ecology of buildings, change over time as a function of investment decisions regarding maintenance levels and technology adoption. During the simulations, the decision makers interact and decide on courses of action relevant to the buildings stock (adopting energy-efficiency measures, building new buildings, changing existing buildings, and demolishing buildings that no longer fit the needs or priorities of the owners). As the different actions of decision makers occur, the existing buildings stock is modified, sending crucial information cues back to the decision makers. These cues influence their future courses of action. The paper presents the prototype model and initial simulation results. C1 [Martinez-Moyano, Ignacio J.; Simunich, Kathy L.; Graziano, Diane J.; Conzelmann, Guenter] Argonne Natl Lab, Decis & Informat Sci Div DIS, 9700 S Cass Ave, Argonne, IL 60439 USA. [Zhao, Fei] Georgia Inst Technol, Coll Architecture, Atlanta, GA USA. RP Martinez-Moyano, IJ (reprint author), Argonne Natl Lab, Decis & Informat Sci Div DIS, 9700 S Cass Ave, Argonne, IL 60439 USA. FU UChicago Argonne; LLC; Operator of Argonne National Laboratory (" Argonne"); [DE- AC02- 06CH11357] FX This manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory (" Argonne"). Argonne, a DOE Office of Science laboratory, is operated under Contract No. DE- AC02- 06CH11357. The U. S. Government retains for itself, and others acting on its behalf, a paid- up, nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. NR 12 TC 1 Z9 1 U1 0 U2 4 PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2505 J9 ASHRAE TRAN PY 2011 VL 117 BP 366 EP 373 PN 2 PG 8 WC Thermodynamics; Construction & Building Technology SC Thermodynamics; Construction & Building Technology GA BDC23 UT WOS:000312557900044 ER PT S AU Salasovich, J Mosey, G AF Salasovich, Jimmy Mosey, Gail GP ASHRAE TI Photovoltaics on Landfills in Puerto Rico SO ASHRAE TRANSACTIONS 2011, VOL 117, PT 2 SE ASHRAE Transactions LA English DT Proceedings Paper CT Annual Conference of the American-Society-of-Heating-Refrigerating-and-Air-Conditioning-Engineers (ASHRAE) CY JUN 25-29, 2011 CL Montreal, CANADA SP Amer Soc Heating Refrigerating & Air Conditioning Engineers (ASHRAE) AB The U. S. Environmental Protection Agency (EPA), in accordance with the RE-Powering America's Land initiative, selected the Commonwealth of Puerto Rico for a feasibility study of installing renewables on several landfills that are targeted for closure under the Resource Conservation and Recovery Act (RCRA)(U.S. Environmental Protection Agency, 2010). Citizens of Puerto Rico, city planners, and site managers are interested in redevelopment uses for landfills in Puerto Rico, which are particularly well suited for grid-tied solar photovoltaic (PV) installation. The purpose of this report is to assess the landfills with the highest potential for possible grid-tied solar PV installation and estimate cost, performance, and site impacts of three different PV options: crystalline silicon (fixed tilt), crystalline silicon (single-axis tracking), and thin film (fixed tilt). Each option represents a standalone grid-tied system that can be sized to use an entire available site area. In addition, the report outlines financing options that could assist in the implementation of a system. The feasibility of PV systems installed on landfills is highly impacted by the available area for an array, solar resource, operating status, landfill cap status, distance to transmission lines, and distance to major roads. All of the landfills in Puerto Rico were screened according to these criteria in order to determine the sites with the greatest potential. 12 landfills were chosen for site visits based on the screening criteria and location. One landfill will be dicscussed in detail in this report. The San Juan Landfill was chosen because it is the site with the largest available area for a PV system. C1 [Salasovich, Jimmy; Mosey, Gail] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Salasovich, J (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. NR 6 TC 0 Z9 0 U1 2 U2 3 PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2505 J9 ASHRAE TRAN PY 2011 VL 117 BP 395 EP 402 PN 2 PG 8 WC Thermodynamics; Construction & Building Technology SC Thermodynamics; Construction & Building Technology GA BDC23 UT WOS:000312557900047 ER PT S AU Subbarao, K Lei, YF Reddy, TA AF Subbarao, Kris Lei, Yafeng Reddy, T. Agami GP ASHRAE TI The Nearest Neighborhood Method to Improve Uncertainty Estimates in Statistical Building Energy Models SO ASHRAE TRANSACTIONS 2011, VOL 117, PT 2 SE ASHRAE Transactions LA English DT Proceedings Paper CT Annual Conference of the American-Society-of-Heating-Refrigerating-and-Air-Conditioning-Engineers (ASHRAE) CY JUN 25-29, 2011 CL Montreal, CANADA SP Amer Soc Heating Refrigerating & Air Conditioning Engineers (ASHRAE) ID RETROFIT SAVINGS; REGRESSION; CONSUMPTION AB Accurate estimation of uncertainty in energy use predictions from statistical models finds applications in a number of diverse areas of interest to building energy professionals. Examples include the determination of measured energy savings in monitoring and verification (M&V) projects; continuous commissioning; and automated fault detection, wherein improper building or equipment performance is to be detected. All these applications generally involve identifying a baseline statistical model representative of energy use prior to the retrofit (or to energy use under fault-free operation) and then ascertaining the energy savings (or the penalty for faulty operation) as the difference between the measured post-retrofit energy use and the corresponding model-predicted value. Unfortunately, the model residual outliers are ill-behaved, and estimates of the uncertainty in the energy savings tend to be unrealistic. Developing a general methodology for determining more realistic, robust, and credible estimates of the uncertainty in energy savings would be of great value and is the objective of this paper. The proposed approach is to determine the uncertainty from "local" system behavior rather than from global statistical indices of the model fit, such as root-mean-square error and other measures, as is the current practice. This is done using the nonparametric nearest-neighborhood-points approach, which is well known in traditional statistics. The methodology is applicable to any type of statistical model approach, such as regression, time series, and neural networks, and could be coded into a computer package that can be appended to existing M&V analysis programs. Two case study examples using daily building energy-use data serve to illustrate the proposed methodology. The ultimate benefit of such a reliable and statistically defensible method is to lend more credibility to the determination of risk associated with energy savings from energy efficiency projects and thereby induce financial agencies to become more involved in "white tag" and allied certification programs. C1 [Subbarao, Kris] Pacific Northwest Natl Lab, Richland, WA 99352 USA. [Lei, Yafeng] Energy & Carbon Management, Houston, TX USA. [Reddy, T. Agami] Arizona State Univ, Design Sch & Sch Sustainabil, Tempe, AZ USA. RP Subbarao, K (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA. NR 24 TC 0 Z9 0 U1 0 U2 2 PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2505 J9 ASHRAE TRAN PY 2011 VL 117 BP 459 EP 471 PN 2 PG 13 WC Thermodynamics; Construction & Building Technology SC Thermodynamics; Construction & Building Technology GA BDC23 UT WOS:000312557900055 ER PT S AU Shen, B Braun, JE Groll, EA AF Shen, Bo Braun, James E. Groll, Eckhard A. GP ASHRAE TI The Impact of Refrigerant Charge, Airflow, and Expansion Devices on the Measured Performance of an Air-Source Heat Pump-Part I SO ASHRAE TRANSACTIONS 2011, VOL 117, PT 2 SE ASHRAE Transactions LA English DT Proceedings Paper CT Annual Conference of the American-Society-of-Heating-Refrigerating-and-Air-Conditioning-Engineers (ASHRAE) CY JUN 25-29, 2011 CL Montreal, CANADA SP Amer Soc Heating Refrigerating & Air Conditioning Engineers (ASHRAE) AB This paper describes extensive tests performed on a 3-ton R-22 split heat pump in heating mode. The tests contain 150 steady-state performance tests, 18 cyclic tests, and 18 defrost tests. During the testing work, the refrigerant charge level was varied from 70% to 130%, relative to the nominal value; the outdoor temperature was altered by three levels at 17 degrees F (-8.3 degrees C), 35 degrees F (1.7 degrees C) and 47 degrees F (8.3 degrees C); indoor airflow rates ranged from 60% to 150% of the rated airflow rate; and the expansion device was switched from a fixed-orifice to a thermal expansion value. Detailed performance data from the extensive steady-state cyclic and defrost testing performed were presented and compared. C1 [Shen, Bo] Oak Ridge Natl Lab, Bldg Technol Res & Integrat Ctr, Oak Ridge, TN USA. [Braun, James E.; Groll, Eckhard A.] Purdue Univ, Sch Mech Engn, W Lafayette, IN USA. RP Shen, B (reprint author), Oak Ridge Natl Lab, Bldg Technol Res & Integrat Ctr, Oak Ridge, TN USA. NR 13 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2505 J9 ASHRAE TRAN PY 2011 VL 117 BP 533 EP 551 PN 2 PG 19 WC Thermodynamics; Construction & Building Technology SC Thermodynamics; Construction & Building Technology GA BDC23 UT WOS:000312557900060 ER PT S AU Shen, B Groll, EA Braun, JE AF Shen, Bo Groll, Eckhard A. Braun, James E. GP ASHRAE TI Modeling Improvements for Air-Source Heat Pumps Using Different Expansion Devices at Varied Charge Levels-Part II SO ASHRAE TRANSACTIONS 2011, VOL 117, PT 2 SE ASHRAE Transactions LA English DT Proceedings Paper CT Annual Conference of the American-Society-of-Heating-Refrigerating-and-Air-Conditioning-Engineers (ASHRAE) CY JUN 25-29, 2011 CL Montreal, CANADA SP Amer Soc Heating Refrigerating & Air Conditioning Engineers (ASHRAE) ID PERFORMANCE AB This paper describes steady-state performance simulations performed on a 3-ton R-22 split heat pump in heating mode. In total, 150 steady-state points were simulated, which covers refrigerant charge levels from 70% to 130% relative to the nominal value, the outdoor temperatures at 17 degrees F (-8.3 degrees C), 35 degrees F (1.7 degrees C) and 47 degrees F (8.3 degrees C), indoor air flow rates from 60% to 150% of the rated air flow rate, and two types of expansion devices (fixed orifice and thermostatic expansion valve [TXV]). A charge tuning method, which is to calibrate the charge inventory model based on measurements at two operation conditions, was applied and shown to improve the system simulation accuracy significantly over an extensive range of charge levels. In addition, we discuss the effects of using a suction line accumulator in modeling a heat pump system using either a fixed orifice or thermal expansion valve. Last, we identify the issue of refrigerant mass flow mal-distribution at low charge levels and propose an improved modeling approach. C1 [Shen, Bo] Oak Ridge Natl Lab, Bldg Technol Res & Integrat Ctr, Oak Ridge, TN 37831 USA. [Groll, Eckhard A.; Braun, James E.] Purdue Univ, Sch Mech Engn, W Lafayette, IN USA. RP Shen, B (reprint author), Oak Ridge Natl Lab, Bldg Technol Res & Integrat Ctr, Oak Ridge, TN 37831 USA. NR 14 TC 0 Z9 0 U1 0 U2 1 PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2505 J9 ASHRAE TRAN PY 2011 VL 117 BP 552 EP 564 PN 2 PG 13 WC Thermodynamics; Construction & Building Technology SC Thermodynamics; Construction & Building Technology GA BDC23 UT WOS:000312557900061 ER PT S AU Pang, XF Liu, MS AF Pang, Xiufeng Liu, Mingsheng GP ASHRAE TI Prevention of Compressor Short Cycling in Direct-Expansion (DX) Rooftop Units-Part 1: Theoretical Analysis and Simulation SO ASHRAE TRANSACTIONS 2011, VOL 117, PT 2 SE ASHRAE Transactions LA English DT Proceedings Paper CT Annual Conference of the American-Society-of-Heating-Refrigerating-and-Air-Conditioning-Engineers (ASHRAE) CY JUN 25-29, 2011 CL Montreal, CANADA SP Amer Soc Heating Refrigerating & Air Conditioning Engineers (ASHRAE) ID AIR-CONDITIONERS; LOAD CONDITIONS; MODEL; CAPACITY; SYSTEMS AB Compressor short cycling, recognized in the DX Rooftop Unit (RTU) operation, has not yet been successfully resolved. It drastically reduces the compressor reliability and degrades the system efficiency. This paper presents an advanced control algorithm to address this issue with minimized initial cost. It is based on the fundamental vapor compression theory that different evaporating temperatures will produce varied refrigeration effects. Elimination of the compressor short cycling can be achieved by extending the supply air temperature control band to match building load condition. Simulation results show short cycling to be completely eliminated with comparable or improved energy performance under various operating conditions. Field investigation was presented in a companion paper (Pang and Liu 2011). C1 [Pang, Xiufeng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Bldg Technol Dept, Berkeley, CA 94720 USA. [Liu, Mingsheng] Univ Nebraska, Architectural Engn Dept, Lincoln, NE USA. RP Pang, XF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Bldg Technol Dept, Berkeley, CA 94720 USA. NR 14 TC 0 Z9 0 U1 1 U2 3 PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2505 J9 ASHRAE TRAN PY 2011 VL 117 BP 666 EP 676 PN 2 PG 11 WC Thermodynamics; Construction & Building Technology SC Thermodynamics; Construction & Building Technology GA BDC23 UT WOS:000312557900070 ER PT S AU Pang, XF Liu, MS AF Pang, Xiufeng Liu, Mingsheng GP ASHRAE TI Prevention of Compressor Short Cycling in Direct-Expansion (DX) Rooftop Units-Part 2: Field Investigation SO ASHRAE TRANSACTIONS 2011, VOL 117, PT 2 SE ASHRAE Transactions LA English DT Proceedings Paper CT Annual Conference of the American-Society-of-Heating-Refrigerating-and-Air-Conditioning-Engineers (ASHRAE) CY JUN 25-29, 2011 CL Montreal, CANADA SP Amer Soc Heating Refrigerating & Air Conditioning Engineers (ASHRAE) AB An advanced control algorithm was demonstrated in a companion paper (Pang and Liu 2011). It aims to address the compressor short-cycling challenge associated with traditional direct-expansion rooftop unit (DX RTU) operation. This paper presents the results of implementing this advanced control algorithm in a real building. The comparison between system performance of the improved control algorithm and the conventional control algorithm is also demonstrated. A newly installed DX RTU was selected, and field investigation showed that the conventional control algorithms caused serious compressor short cycling. By implementing the advanced control algorithm, the compressor short cycling was completely eliminated, resulting in a 15% total electricity savings. C1 [Pang, Xiufeng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Bldg Technol Dept, Berkeley, CA 94720 USA. [Liu, Mingsheng] Univ Nebraska, Architectural Engn Dept, Lincoln, NE USA. RP Pang, XF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Bldg Technol Dept, Berkeley, CA 94720 USA. NR 3 TC 0 Z9 0 U1 0 U2 1 PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2505 J9 ASHRAE TRAN PY 2011 VL 117 BP 677 EP 685 PN 2 PG 9 WC Thermodynamics; Construction & Building Technology SC Thermodynamics; Construction & Building Technology GA BDC23 UT WOS:000312557900071 ER PT S AU Aumeier, S Cherry, R Boardman, R Smith, J AF Aumeier, Steven Cherry, Robert Boardman, Richard Smith, Joseph BE Raj, B Rao, PRV Kutty, KVG Mudali, UK TI Nuclear Hybrid Energy Systems: Imperatives, Prospects and Challenges SO ASIAN NUCLEAR PROSPECTS 2010 SE Energy Procedia LA English DT Proceedings Paper CT 2nd International Conference on Asian Nuclear Prospects (ANUP) CY OCT 10-13, 2010 CL Mamallapuram, INDIA SP Indira Gandhi Ctr Atom Res (IGCAR) DE Nuclear hybrid energy; environment; capital resources; economic stability; cooperation AB In less than 60 years we have witnessed the transition of nuclear electricity production from an experiment on the high desert of the western United States to more than 430 commercial nuclear power reactors deployed in 31 countries, supplying nearly 14% of all global electricity consumed. The speed at which this transition took place was stunning, as has been the evolution of the technology, business management and operations approach to civil nuclear electricity production. Even as the United States took a two-decade hiatus from the construction of new nuclear electricity plants, other nations embraced the technology and continue to do so. Today, there are 53 nuclear power reactors under construction, 142 planned and 327 proposed for development, including a number in the United States [1]. Clearly nuclear energy is and likely will continue to play a significant role in providing access to clean electricity on a global scale, although questions related to used fuel management, plant safety, and nonproliferation create some uncertainty as to scale and timing of this contribution.[2] However, as global population reaches an expected 8 billion people by 2030, primary energy consumption is expected to increase by almost 40% from approximately 520 exajoules consumed today to almost 740 exajoules. [2,3] Much of this increase is expected to come from non-Organization for Economic Cooperation and Development (OECD) nations, and Asia specifically. In these economies, energy used for transportation is expected to grow substantially, as is industrial, commercial and to a lesser degree residential energy use, creating considerable pressure on global and local energy markets. The magnitude and timing of growth in energy consumption likely will creat e a global imperative to deploy energy production technologies that balance the three pillars of energy security: [4] economic stability - related to the affordability of energy products, stability and predictability in their price, and the efficient and effective deployment of global capital resources in their development; environmental sustainability - related to minimizing the negative impacts of energy production to air, land, and water systems and advancing the long-term viability of using a particular resource in a way that does not limit future generations ability to prosper; resource security - related to the ability to access energy resources and products where and when necessary, in an affordable and predictable manner; (C) 2011 Published by Elsevier Ltd. Selection and/or peer-review under responsibility of Indra Gandhi Centre of Atomic Research C1 [Aumeier, Steven; Cherry, Robert; Boardman, Richard; Smith, Joseph] Idaho Natl Lab, Energy Syst & Technol Div, Idaho Falls, ID 83415 USA. RP Aumeier, S (reprint author), Idaho Natl Lab, Energy Syst & Technol Div, Idaho Falls, ID 83415 USA. EM steven.aumier@lnl.gov NR 16 TC 1 Z9 1 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1876-6102 J9 ENRGY PROCED PY 2011 VL 7 BP 51 EP 54 DI 10.1016/j.egypro.2011.06.006 PG 4 WC Nuclear Science & Technology SC Nuclear Science & Technology GA BYE93 UT WOS:000298292800004 ER PT B AU Zalk, DM Paik, SY AF Zalk, David M. Paik, Samuel Y. BE Ramachandran, G TI Risk Assessment Using Control Banding SO ASSESSING NANOPARTICLE RISKS TO HUMAN HEALTH LA English DT Article; Book Chapter ID RESEARCH STRATEGIES; SAFETY EVALUATION; ENGINEERED NANOPARTICLES; OCCUPATIONAL-HEALTH; LUNG INJURY; PULMONARY TOXICITY; CARBON NANOTUBES; NANOMATERIALS; EXPOSURE; PARTICLES C1 [Zalk, David M.; Paik, Samuel Y.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Paik, Samuel Y.] Abbott Labs, Abbott Pk, IL 60064 USA. NR 65 TC 1 Z9 1 U1 0 U2 0 PU WILLIAM ANDREW INC PI NORWICH PA 13 EATON AVE, NORWICH, NY 13815 USA BN 978-1-4377-7864-9; 978-1-4377-7863-2 PY 2011 BP 139 EP 166 DI 10.1016/B978-1-4377-7863-2.00006-6 PG 28 WC Public, Environmental & Occupational Health; Nanoscience & Nanotechnology SC Public, Environmental & Occupational Health; Science & Technology - Other Topics GA BFK38 UT WOS:000320229200007 ER PT J AU Zub, M Cassan, A Heyrovsky, D Fouque, P Stempels, HC Albrow, MD Beaulieu, JP Brillant, S Christie, GW Kains, N Kozlowski, S Kubas, D Wambsganss, J Batista, V Bennett, DP Cook, K Coutures, C Dieters, S Dominik, M Prester, DD Donatowicz, J Greenhill, J Horne, K Jorgensen, UG Kane, SR Marquette, JB Martin, R Menzies, J Pollard, KR Sahu, KC Vinter, C Williams, A Gould, A Depoy, DL Gal-Yam, A Gaudi, BS Han, C Lipkin, Y Maoz, D Ofek, EO Park, BG Pogge, RW McCormick, J Udalski, A Szymanski, MK Kubiak, M Pietrzynski, G Soszynski, I Szewczyk, O Wyrzykowski, L AF Zub, M. Cassan, A. Heyrovsky, D. Fouque, P. Stempels, H. C. Albrow, M. D. Beaulieu, J-P Brillant, S. Christie, G. W. Kains, N. Kozlowski, S. Kubas, D. Wambsganss, J. Batista, V. Bennett, D. P. Cook, K. Coutures, C. Dieters, S. Dominik, M. Prester, D. Dominis Donatowicz, J. Greenhill, J. Horne, K. Jorgensen, U. G. Kane, S. R. Marquette, J-B Martin, R. Menzies, J. Pollard, K. R. Sahu, K. C. Vinter, C. Williams, A. Gould, A. Depoy, D. L. Gal-Yam, A. Gaudi, B. S. Han, C. Lipkin, Y. Maoz, D. Ofek, E. O. Park, B-G Pogge, R. W. McCormick, J. Udalski, A. Szymanski, M. K. Kubiak, M. Pietrzynski, G. Soszynski, I. Szewczyk, O. Wyrzykowski, L. CA PLANET Collaboration FUN Collaboration OGLE Collaboration TI Limb-darkening measurements for a cool red giant in microlensing event OGLE 2004-BLG-482 SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE gravitational lensing: micro; stars: atmospheres; techniques: high angular resolution; stars: individual: OGLE 2004-BLG-482 ID STELLAR ATMOSPHERE MODELS; CLUMP ABSOLUTE MAGNITUDE; H-ALPHA LINE; GALACTIC BULGE; PLANET OBSERVATIONS; MACHO 98-SMC-1; STARS; PHOTOMETRY; LENS; RESOLUTION AB Aims. We present a detailed analysis of OGLE 2004-BLG-482, a relatively high-magnification single-lens microlensing event that exhibits clear extended-source effects. These events are relatively rare, but they potentially contain unique information on the stellar atmosphere properties of their source star, as shown in this study. Methods. Our dense photometric coverage of the overall light curve and a proper microlensing modelling allow us to derive measurements of the OGLE 2004-BLG-482 source star's linear limb-darkening coefficients in three bands, including standard Johnson-Cousins I and R, as well as in a broad clear filter. In particular, we discuss in detail the problems of multi-band and multi-site modelling on the expected precision of our results. We also obtained high-resolution UVES spectra as part of a ToO programme at ESO VLT, from which we derive the source star's precise fundamental parameters. Results. From the high-resolution UVES spectra, we find that OGLE 2004-BLG-482's source star is a red giant of MK type a bit later than M3, with T-eff = 3667 +/- 150 K, log g = 2.1 +/- 1.0 and an assumed solar metallicity. This is confirmed by an OGLE calibrated colour-magnitude diagram. We then obtain from a detailed microlensing modelling of the light curve linear limb-darkening coefficients that we compare to model-atmosphere predictions available in the literature, and find a very good agreement for the I and R bands. In addition, we perform a similar analysis using an alternative description of limb darkening based on a principal component analysis of ATLAS limb-darkening profiles, and also find a very good agreement between measurements and model predictions. C1 [Zub, M.; Cassan, A.; Wambsganss, J.] Heidelberg Univ, ARI, Zentrum Astron, D-69120 Heidelberg, Germany. [Zub, M.] Heidelberg Univ, Int Max Planck Res Sch Astron & Cosm Phys, D-6900 Heidelberg, Germany. [Zub, M.] Univ Zielona Gora, Inst Astron, PL-65265 Zielona Gora, Poland. [Cassan, A.; Beaulieu, J-P; Kubas, D.; Batista, V.; Coutures, C.; Dieters, S.; Marquette, J-B] Univ Paris 06, Inst Astrophys Paris, CNRS, UMR 7095, F-75014 Paris, France. [Heyrovsky, D.] Charles Univ Prague, Inst Theoret Phys, CR-18000 Prague, Czech Republic. [Fouque, P.] Univ Toulouse, LATT, CNRS, F-31400 Toulouse, France. [Stempels, H. C.] Dept Phys & Astron, S-75120 Uppsala, Sweden. [Albrow, M. D.] Univ Canterbury, Dept Phys & Astron, Christchurch 1, New Zealand. [Brillant, S.; Kubas, D.] European So Observ, Santiago 19, Chile. [Christie, G. W.] Auckland Observ, Auckland, New Zealand. [Kains, N.; Dominik, M.; Horne, K.] Univ St Andrews, Sch Phys & Astron, St Andrews KY16 9SS, Fife, Scotland. [Kozlowski, S.; Gould, A.; Depoy, D. L.; Gaudi, B. S.; Pogge, R. W.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Bennett, D. P.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46530 USA. [Cook, K.] Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. [Prester, D. Dominis] Univ Rijeka, Dept Phys, Rijeka 51000, Croatia. [Donatowicz, J.] Vienna Univ Technol, Dept Comp, A-1060 Vienna, Austria. [Greenhill, J.] Univ Tasmania, Dept Phys, Hobart, Tas 7001, Australia. [Jorgensen, U. G.; Vinter, C.] Niels Bohr Inst, DK-2100 Copenhagen, Denmark. [Jorgensen, U. G.; Vinter, C.] Ctr Star & Planet Format, DK-2100 Copenhagen, Denmark. [Kane, S. R.] CALTECH, NASA, Exoplanet Sci Inst, Pasadena, CA 91125 USA. [Martin, R.; Williams, A.] Perth Observ, Perth, WA 6076, Australia. [Menzies, J.] S African Astron Observ, ZA-7935 Observatory, South Africa. [Sahu, K. C.] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Gal-Yam, A.] Weizmann Inst Sci, Fac Phys, Astrophys Grp, IL-76100 Rehovot, Israel. [Han, C.] Chungbuk Natl Univ, Dept Phys, Inst Basic Sci Res, Chonju 361763, South Korea. [Lipkin, Y.] Tel Aviv Univ, Raymond & Beverly Sackler Fac Exact Sci, Sch Phys & Astron, IL-69978 Tel Aviv, Israel. [Lipkin, Y.] Tel Aviv Univ, Raymond & Beverly Sackler Fac Exact Sci, Wise Observ, IL-69978 Tel Aviv, Israel. [Ofek, E. O.] CALTECH, Div Phys Math & Astron, Pasadena, CA 91125 USA. [Park, B-G] Korea Astron & Space Sci Inst, Taejon 305348, South Korea. [McCormick, J.] Ctr Backyard Astrophys, Farm Cove Observ, Auckland, New Zealand. [Udalski, A.; Szymanski, M. K.; Kubiak, M.; Pietrzynski, G.; Soszynski, I.; Szewczyk, O.; Wyrzykowski, L.] Univ Warsaw Observ, PL-00478 Warsaw, Poland. [Pietrzynski, G.] Univ Concepcion, Dept Fis, Concepcion, Chile. [Wyrzykowski, L.] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. RP Zub, M (reprint author), Heidelberg Univ, ARI, Zentrum Astron, Monchhofstr 12-14, D-69120 Heidelberg, Germany. EM zub@ari.uni-heidelberg.de RI Gaudi, Bernard/I-7732-2012; Kane, Stephen/B-4798-2013; Greenhill, John/C-8367-2013; Kozlowski, Szymon/G-4799-2013; Williams, Andrew/K-2931-2013; Heyrovsky, David/A-2031-2015; OI Kozlowski, Szymon/0000-0003-4084-880X; Williams, Andrew/0000-0001-9080-0105; Heyrovsky, David/0000-0002-5198-5343; Dominik, Martin/0000-0002-3202-0343 FU Polish MNiSW [N20303032/4275]; Polish Research [N N203 2738 33]; French CNRS/ANR; Czech Science Foundation [GACR 205/07/0824]; Czech Ministry of Education [MSM0021620860]; Korea Science and Engineering Foundation [2009-008561]; Korea Astronomy and Space Science Institute FX We express our gratitude to the ESO staff at Paranal for reacting at short notice to our UVES ToO request. We thank David Warren for financial support for the Mt Canopus Observatory. The OGLE project is partially supported by the Polish MNiSW grant N20303032/4275. M.Z. acknowledges a partial support of the Polish Research Grant N N203 2738 33. AC acknowledges travel support on the French CNRS/ANR grant HOLMES. D. H. was supported by Czech Science Foundation grant GACR 205/07/0824 and by the Czech Ministry of Education project MSM0021620860. This publication makes use of data products from the 2MASS and DENIS projects, as well as the SIMBAD database, Aladin and VizieR catalogue operation tools (CDS Strasbourg, France). C.H. acknowledges the support by Creative Research Initiative Program (2009-008561) of Korea Science and Engineering Foundation. B. G. P. acknowledges the support by Korea Astronomy and Space Science Institute. We thank Subo Dong for his comments on the analysis. NR 64 TC 16 Z9 16 U1 0 U2 7 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 EI 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD JAN PY 2011 VL 525 AR A15 DI 10.1051/0004-6361/200912007 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 692ZF UT WOS:000285193700004 ER PT J AU Abreu, P Aglietta, M Ahn, EJ Allard, D Allekotte, I Allen, J Castillo, JA Alvarez-Muniz, J Ambrosio, M Aminaei, A Anchordoqui, L Andringa, S Anticic, T Anzalone, A Aramo, C Arganda, E Arisaka, K Arqueros, F Asorey, H Assis, P Aublin, J Ave, M Avenier, M Avila, G Backer, T Badagnani, D Balzer, M Barber, KB Barbosa, AF Bardenet, R Barroso, SLC Baughman, B Beatty, JJ Becker, BR Becker, KH Belletoile, A Bellido, JA BenZvi, S Berat, C Bergmann, T Bertou, X Biermann, PL Billoir, P Blanco, F Blanco, M Bleve, C Blumer, H Bohacova, M Boncioli, D Bonifazi, C Bonino, R Borodai, N Brack, J Brogueira, P Brown, WC Bruijn, R Buchholz, P Bueno, A Burton, RE Busca, NG Caballero-Mora, KS Caramete, L Caruso, R Castellina, A Catalano, O Cataldi, G Cazon, L Cester, R Chauvin, J Chiavassa, A Chinellato, JA Chou, A Chudoba, J Clay, RW Colombo, E 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MG Goncalves, P Gonzalez, D Gonzalez, JG Gookin, B Gora, D Gorgi, A Gouffon, P Gozzini, SR Grashorn, E Grebe, S Grigat, M Grillo, AF Guardincerri, Y Guarino, F Guedes, GP Hague, JD Hansen, P Harari, D Harmsma, S Harton, JL Haungs, A Hebbeker, T Heck, D Herve, AE Hojvat, C Holmes, VC Homola, P Horandel, JR Horneffer, A Hrabovsky, M Huege, T Insolia, A Ionita, F Italiano, A Jiraskova, S Kadija, K Kaducak, M Kampert, KH Karhan, P Karova, T Kasper, P Kegl, B Keilhauer, B Keivani, A Kelley, JL Kemp, E Kieckhafer, RM Klages, HO Kleifges, M Kleinfeller, J Knapp, J Koang, DH Kotera, K Krohm, N Kromer, O Kruppke-Hansen, D Kuehn, F Kuempel, D Kulbartz, JK Kunka, N La Rosa, G Lachaud, C Lautridou, P Leao, MSAB Lebrun, D Lebrun, P de Oliveira, MAL Lemiere, A Letessier-Selvon, A Lhenry-Yvon, I Link, K Lopez, R Aguera, AL Louedec, K Bahilo, JL Lucero, A Ludwig, M Lyberis, H Maccarone, MC Macolino, C Maldera, S Mandat, D Mantsch, P Mariazzi, AG Marin, V Maris, IC Falcon, HRM Marsella, G Martello, D 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Weidenhaupt, K. Weinidl, A. Westerhoff, S. Whelan, B. J. Wieczorek, G. Wiencke, L. Wilczynska, B. Wilczynski, H. Will, M. Williams, C. Winchen, T. Winders, L. Winnick, M. G. Wommer, M. Wundheiler, B. Yamamoto, T. Younk, P. Yuan, G. Yushkov, A. Zamorano, B. Zas, E. Zavrtanik, D. Zavrtanik, M. Zaw, I. Zepeda, A. Ziolkowski, M. CA Pierre Auger Collaboration TI The exposure of the hybrid detector of the Pierre Auger Observatory SO ASTROPARTICLE PHYSICS LA English DT Article DE Ultra high energy cosmic rays; Pierre Auger Observatory; Extensive air showers; Trigger; Exposure; Fluorescence detector; Hybrid ID FLUORESCENCE DETECTOR; ENERGY-SPECTRUM; SIMULATION; SHOWERS; SYSTEM AB The Pierre Auger Observatory is a detector for ultra-high energy cosmic rays. It consists of a surface array to measure secondary particles at ground level and a fluorescence detector to measure the development of air showers in the atmosphere above the array. The "hybrid" detection mode combines the information from the two subsystems. We describe the determination of the hybrid exposure for events observed by the fluorescence telescopes in coincidence with at least one water-Cherenkov detector of the surface array. A detailed knowledge of the time dependence of the detection operations is crucial for an accurate evaluation of the exposure. We discuss the relevance of monitoring data collected during operations, such as the status of the fluorescence detector, background light and atmospheric conditions, that are used in both simulation and reconstruction. (C) 2010 Elsevier B.V. All rights reserved. C1 [Ave, M.; Bluemer, H.; Daumiller, K.; Dembinski, H.; Engel, R.; Garrido, X.; Haungs, A.; Heck, D.; Huege, T.; Keilhauer, B.; Klages, H. O.; Kleinfeller, J.; Mathes, H. J.; Mueller, S.; Oehlschlaeger, J.; Pierog, T.; Roth, M.; Salamida, F.; Schieler, H.; Schroeder, F.; Schuessler, F.; Smida, R.; Ulrich, R.; Unger, M.; Valino, I.; Weinidl, A.; Will, M.; Wommer, M.] Karlsruhe Inst Technol, Inst Kernphys, Karlsruhe, Germany. [Allekotte, I.; Asorey, H.; Bertou, X.; Golup, G.; Gomez Berisso, M.; Harari, D.; Mollerach, S.; Ponce, V. H.; Roulet, E.] Ctr Atom Bariloche, San Carlos De Bariloche, Rio Negro, Argentina. [Allekotte, I.; Asorey, H.; Bertou, X.; Golup, G.; Gomez Berisso, M.; Harari, D.; Mollerach, S.; Ponce, V. H.; Roulet, E.] CNEA UNCuyo CONICET, Inst Balseiro, San Carlos De Bariloche, Rio Negro, Argentina. [Colombo, E.; Denkiewicz, A.; Etchegoyen, A.; Ferrero, A.; Filevich, A.; Gamarra, R. F.; Lucero, A.; Micheletti, M. I.; Platino, M.; Ravignani, D.; Sanchez, F.; Sidelnik, I.; Suarez, F.; Tapia, A.; Wainberg, O.; Wundheiler, B.] UTN FRBA, CONICET, Comis Nacl Energia Atom, Ctr Atom Constituyentes, Buenos Aires, DF, Argentina. 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[Barber, K. B.; Bellido, J. A.; Clay, R. W.; Cooper, M. J.; Dawson, B. R.; Herve, A. E.; Holmes, V. C.; Sorokin, J.; Wahrlich, P.; Whelan, B. J.; Winnick, M. G.] Univ Adelaide, Adelaide, SA, Australia. [Barbosa, A. F.; dos Anjos, J. C.; Fuchs, B.; Shellard, R. C.] Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, Brazil. [Diaz Castro, M. L.; Shellard, R. C.] Pontificia Univ Catolica Rio de Janeiro, Rio De Janeiro, Brazil. [de Souza, V.] Univ Sao Paulo, Inst Fis, Sao Carlos, SP, Brazil. [Gouffon, P.; Tridapalli, D. B.] Univ Sao Paulo, Inst Fis, BR-01498 Sao Paulo, Brazil. [Chinellato, J. A.; de Almeida, R. M.; de Mello Junior, W. J. M.; Dobrigkeit, C.; Escobar, C. O.; Fauth, A. C.; Kemp, E.; Muller, M. A.; Pakk Selmi-Dei, D.] Univ Estadual Campinas, IFGW, Campinas, SP, Brazil. [Barroso, S. L. C.] Univ Estadual Sudoeste Bahia, Vitoria Da Conquista, BA, Brazil. [Pepe, I. M.] Univ Fed Bahia, Salvador, BA, Brazil. [Leao, M. S. A. B.; Leigui de Oliveira, M. A.; Todero Peixoto, C. J.] Univ Fed ABC, Santo Andre, SP, Brazil. [Bonifazi, C.; de Almeida, R. M.; de Mello Neto, J. R. T.; Santos, E. M.] Univ Fed Rio de Janeiro, Inst Fis, Rio De Janeiro, Brazil. [Anticic, T.; Kadija, K.; Micanovic, S.; Susa, T.] Rudjer Boskovic Inst, Zagreb 10000, Croatia. [Karhan, P.; Nosek, D.] Charles Univ Prague, Fac Math & Phys, Inst Particle & Nucl Phys, Prague, Czech Republic. [Bohacova, M.; Chudoba, J.; Ebr, J.; Hrabovsky, M.; Karova, T.; Mandat, D.; Necesal, P.; Nozka, L.; Nyklicek, M.; Palatka, M.; Pech, M.; Prouza, M.; Ridky, J.; Schovancova, J.; Schovanek, P.; Smida, R.; Travnicek, P.] Acad Sci Czech Republic, Inst Phys, Prague, Czech Republic. [Hrabovsky, M.; Rossler, T.] Palacky Univ, CR-77147 Olomouc, Czech Republic. [Deligny, O.; Dong, P. N.; Ghia, P. L.; Lemiere, A.; Lhenry-Yvon, I.; Lyberis, H.; Suomijaervi, T.] Univ Paris 11, CNRS, IN2P3, IPNO, F-91405 Orsay, France. [Allard, D.; Busca, N. G.; Decerprit, G.; Lachaud, C.; Parizot, E.; Semikoz, D.; Tristram, G.] Univ Paris 07, CNRS, IN2P3, Lab AstroParticule & Cosmol APC, Paris, France. [Bardenet, R.; Cordier, A.; Dagoret-Campagne, S.; Kegl, B.; Louedec, K.; Ragaigne, D. Monnier; Urban, M.] Univ Paris 11, CNRS, IN2P3, LAL, F-91405 Orsay, France. [Aublin, J.; Billoir, P.; Bonifazi, C.; Letessier-Selvon, A.; Macolino, C.; Maris, I. C.; Muenchmeyer, M.] Univ Paris 06, LPNHE, Paris, France. [Avenier, M.; Belletoile, A.; Berat, C.; Chauvin, J.; Koang, D. -H.; Lebrun, D.; Montanet, F.; Payet, K.; Riviere, C.; Stutz, A.] Univ Grenoble 1, CNRS, IN2P3, LPSC,INPG, Grenoble, France. [Dallier, R.; Lautridou, P.; Marin, V.; Martin, L.; Ravel, O.; Revenu, B.] CNRS, IN2P3, SUBATECH, Nantes, France. [Becker, K. H.; Bleve, C.; Kampert, K. H.; Krohm, N.; Kruppke-Hansen, D.; Kuempel, D.; Nierstenhoefer, N.; Oliva, P.; Rautenberg, J.; Szadkowski, Z.; Tascau, O.] Berg Univ Wuppertal, Wuppertal, Germany. [Balzer, M.; Bergmann, T.; Gemmeke, H.; Kleifges, M.; Kroemer, O.; Kunka, N.; Menshikov, A.; Schmidt, A.; Tcherniakhovski, D.] Karlsruhe Inst Technol, Inst Prozessdatenverarbeitung & Elekt, Karlsruhe, Germany. [Bluemer, H.; Caballero-Mora, K. S.; Gonzalez, D.; Gonzalez, J. G.; Gora, D.; Link, K.; Ludwig, M.; Melissas, M.; Palmieri, N.; Parrisius, J.; Schmidt, T.] Karlsruhe Inst Technol, Inst Expt Kernphys, Karlsruhe, Germany. [Biermann, P. L.; Caramete, L.; Curutiu, A.; Dutan, I.] Max Planck Inst Radioastron, Bonn, Germany. [Erdmann, M.; Fliescher, S.; Grigat, M.; Hebbeker, T.; Meurer, C.; Scharf, N.; Schiffer, P.; Schulte, S.; Stephan, M.; Weidenhaupt, K.; Winchen, T.] Rhein Westfal TH Aachen, Phys Inst A 3, Aachen, Germany. [Kulbartz, J. K.; Sigl, G.] Univ Hamburg, Hamburg, Germany. [Baecker, T.; Buchholz, P.; Fleck, I.; Froehlich, U.; Pontz, M.; Risse, M.; Tcaciuc, R.; Ziolkowski, M.] Univ Siegen, Siegen, Germany. [Gambetta, S.; Pesce, R.; Petrolini, A.] Univ Genoa, Dipartimento Fis, Genoa, Italy. [Gambetta, S.; Pesce, R.; Petrolini, A.] Ist Nazl Fis Nucl, I-16146 Genoa, Italy. [Macolino, C.; Petrera, S.; Rizi, V.; Salamida, F.] Univ Aquila, I-67100 Laquila, Italy. [Macolino, C.; Petrera, S.; Rizi, V.; Salamida, F.] Ist Nazl Fis Nucl, Laquila, Italy. [De Donato, C.; Miramonti, L.; Rivera, H.; Scherini, V.] Univ Milan, Milan, Italy. [De Donato, C.; Miramonti, L.; Rivera, H.; Scherini, V.] Sezione Ist Nazl Fis Nucl, Milan, Italy. [Bleve, C.; Cataldi, G.; Coluccia, M. R.; De Mitri, I.; Giaccari, U.; Martello, D.; Settimo, M.] Univ Salento, Dipartimento Fis, Lecce, Italy. [Bleve, C.; Cataldi, G.; Coluccia, M. R.; De Mitri, I.; Giaccari, U.; Marsella, G.; Martello, D.; Perrone, L.; Settimo, M.] Sezione Ist Nazl Fis Nucl, Lecce, Italy. [Ambrosio, M.; Aramo, C.; Della Selva, A.; D'Urso, D.; Guarino, F.; Valore, L.; Yushkov, A.] Univ Naples Federico 2, Naples, Italy. [Ambrosio, M.; Aramo, C.; Della Selva, A.; D'Urso, D.; Guarino, F.; Valore, L.; Yushkov, A.] Sezione Ist Nazl Fis Nucl, Naples, Italy. [Boncioli, D.; Di Giulio, C.; Matthiae, G.; Petrinca, P.; Salina, G.; Verzi, V.] Univ Roma Tor Vergata, I-00173 Rome, Italy. [Boncioli, D.; Di Giulio, C.; Matthiae, G.; Petrinca, P.; Salina, G.; Verzi, V.] Sezione Ist Nazl Fis Nucl, Rome, Italy. [Caruso, R.; De Domenico, M.; Insolia, A.; Italiano, A.; Pirronello, V.; Riggi, S.; Rodriguez Martino, J.; Scuderi, M.; Tegolo, D.; Trovato, E.] Univ Catania, Catania, Italy. [Caruso, R.; De Domenico, M.; Insolia, A.; Italiano, A.; Pirronello, V.; Riggi, S.; Rodriguez Martino, J.; Scuderi, M.; Tegolo, D.; Trovato, E.] Sezione Ist Nazl Fis Nucl, Catania, Italy. [Cester, R.; Maurizio, D.; Melo, D.; Menichetti, E.; Mussa, R.; Tonachini, A.] Univ Turin, Turin, Italy. [Bonino, R.; Castellina, A.; Cester, R.; Chiavassa, A.; Fulgione, W.; Ghia, P. L.; Gorgi, A.; Lucero, A.; Maldera, S.; Maurizio, D.; Melo, D.; Menichetti, E.; Morello, C.; Mussa, R.; Navarra, G.; Tonachini, A.] Sezione Ist Nazl Fis Nucl, Turin, Italy. [Marsella, G.; Perrone, L.] Univ Salento, Dipartimento Ingn Innovaz, Lecce, Italy. [Anzalone, A.; Catalano, O.; La Rosa, G.; Maccarone, M. C.; Segreto, A.; Strazzeri, E.] Ist Astrofis Spaziale & Fis Cosm Palermo INAF, Palermo, Italy. [Bonino, R.; Castellina, A.; Chiavassa, A.; Fulgione, W.; Ghia, P. L.; Gorgi, A.; Lucero, A.; Maldera, S.; Morello, C.; Navarra, G.] Univ Turin, Ist Fis Spazio Interplanetario INAF, Turin, Italy. [Grillo, A. F.] Ist Nazl Fis Nucl, Lab Nazl Gran Sasso, Laquila, Italy. [Tegolo, D.] Univ Palermo, Catania, Italy. [Lopez, R.; Martinez Bravo, O.; Moreno, E.; Robledo, C.; Salazar, H.] Benemerita Univ Autonoma Puebla, Puebla, Mexico. [Zepeda, A.] CINVESTAV, Mexico City 14000, DF, Mexico. [Cotti, U.; Marquez Falcon, H. R.; Tiwari, D. K.; Villasenor, L.] Univ Michoacana, Morelia, Michoacan, Mexico. [Alvarez Castillo, J.; De Donato, C.; D'Olivo, J. C.; Medina-Tanco, G.; Morales, B.; Nellen, L.; Supanitsky, A. D.; Valdes Galicia, J. F.; Vargas Cardenas, B.] Univ Nacl Autonoma Mexico, Mexico City 04510, DF, Mexico. [Aminaei, A.; Coppens, J.; de Jong, S. J.; Falcke, H.; Grebe, S.; Horandel, J. R.; Horneffer, A.; Jiraskova, S.; Kelley, J. L.; Schoorlemmer, H.; Timmermans, C.] Radboud Univ Nijmegen, IMAPP, NL-6525 ED Nijmegen, Netherlands. [de Vries, K. D.; Fraenkel, E. D.; Harmsma, S.; Scholten, O.; van den Berg, A. M.] Univ Groningen, Kernfys Versneller Inst, Groningen, Netherlands. [Coppens, J.; Harmsma, S.; Petrovic, J.; Timmermans, C.] NIKHEF, Amsterdam, Netherlands. [Falcke, H.] ASTRON, Dwingeloo, Netherlands. [Borodai, N.; Gora, D.; Homola, P.; Pekala, J.; Stasielak, J.; Wilczynska, B.; Wilczynski, H.] Inst Nucl Phys PAN, Krakow, Poland. [Giller, M.; Smialkowski, A.; Szadkowski, Z.; Tkaczyk, W.; Wieczorek, G.] Univ Lodz, PL-90131 Lodz, Poland. [Andringa, S.; Assis, P.; Brogueira, P.; Cazon, L.; Conceicao, R.; Goncalves, P.; Pimenta, M.; Santo, C. E.; Santos, E.; Tome, B.] LIP, P-1000 Lisbon, Portugal. [Andringa, S.; Assis, P.; Brogueira, P.; Cazon, L.; Conceicao, R.; Goncalves, P.; Pimenta, M.; Santo, C. E.; Santos, E.; Tome, B.] Inst Super Tecn, Lisbon, Portugal. [Filipcic, A.; Veberic, D.; Zavrtanik, D.; Zavrtanik, M.] J Stefan Inst, Ljubljana, Slovenia. [Creusot, A.; Filipcic, A.; Veberic, D.; Zavrtanik, D.; Zavrtanik, M.] Univ Nova Gorica, Lab Astroparticle Phys, Nova Gorica, Slovenia. [Pastor, S.] Univ Valencia, CSIC, Inst Fis Corpuscular, Valencia, Spain. [Arganda, E.; Arqueros, F.; Blanco, F.; Garcia-Pinto, D.; Ortiz, M.; Rosado, J.; Vazquez, J. R.] Univ Complutense Madrid, Madrid, Spain. [Blanco, M.; del Peral, L.; McEwen, M.; Pacheco, N.; Rodriguez-Frias, M. D.; Ros, G.] Univ Alcala De Henares, Madrid, Spain. [Bueno, A.; Garcia Gamez, D.; Gascon, A.; Lozano Bahilo, J.; Navarro, J. L.; Navas, S.; Zamorano, B.] Univ Granada, Granada, Spain. [Bueno, A.; Garcia Gamez, D.; Gascon, A.; Lozano Bahilo, J.; Navarro, J. L.; Navas, S.; Zamorano, B.] CAFPE, Granada, Spain. [Alvarez-Muniz, J.; Lopez Agueera, A.; Olmos-Gilbaja, V. M.; Parente, G.; Parra, A.; Pelayo, R.; Rodriguez, G.; Rodriguez-Cabo, I.; Vazquez, R. A.; Zas, E.] Univ Santiago de Compostela, Santiago De Compostela, Spain. [Sarkar, S.] Univ Oxford, Rudolf Peierls Ctr Theoret Phys, Oxford, England. [Bruijn, R.; Cook, H.; Gozzini, S. R.; Knapp, J.; Parsons, R. D.; Watson, A. A.] Univ Leeds, Sch Phys & Astron, Leeds LS2 9JT, W Yorkshire, England. [Spinka, H.] Argonne Natl Lab, Argonne, IL 60439 USA. [Burton, R. E.; Covault, C. E.; Ferguson, A. P.] Case Western Reserve Univ, Cleveland, OH 44106 USA. [Sarazin, F.; Schuster, D.; Wiencke, L.] Colorado Sch Mines, Golden, CO 80401 USA. [Brack, J.; Dorofeev, A.; Fracchiolla, C. E.; Gookin, B.; Harton, J. L.; Mostafa, M.; Petrov, Y.; Thomas, D.; Warner, D.; Younk, P.] Colorado State Univ, Ft Collins, CO 80523 USA. [Brown, W. C.] Colorado State Univ, Pueblo, CO USA. [Chou, A.; Fazzini, N.; Glass, H.; Hojvat, C.; Kaducak, M.; Kasper, P.; Kuehn, F.; Lebrun, P.; Mantsch, P.; Mazur, P. O.; Spinka, H.] Fermilab Natl Accelerator Lab, Batavia, IL USA. [Keivani, A.; Matthews, J.; Shadkam, A.; Yuan, G.] Louisiana State Univ, Baton Rouge, LA 70803 USA. [Diaz, J. C.; Fick, B.; Kieckhafer, R. M.; Nitz, D.] Michigan Technol Univ, Houghton, MI 49931 USA. [Allen, J.; Chou, A.; Farrar, G.; Zaw, I.] NYU, New York, NY USA. [Paul, T.; Swain, J.] Northeastern Univ, Boston, MA 02115 USA. [Baughman, B.; Beatty, J. J.; Grashorn, E.; Morris, C.; Stapleton, J.; Sutherland, M. S.] Ohio State Univ, Columbus, OH 43210 USA. [Coutu, S.; Criss, A.; Sommers, P.; Ulrich, R.] Penn State Univ, University Pk, PA 16802 USA. [Matthews, J.] Southern Univ, Baton Rouge, LA USA. [Arisaka, K.; Gelmini, G.] Univ Calif Los Angeles, Los Angeles, CA USA. [Ave, M.; Bohacova, M.; Cronin, J.; Luis, P. Facal San; Ionita, F.; Kotera, K.; Monasor, M.; Olinto, A.; Pavlidou, V.; Privitera, P.; Rouille-d'Orfeuil, B.; Schmidt, F.; Venters, T.; Williams, C.; Yamamoto, T.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Petermann, E.; Snow, G. R.] Univ Nebraska, Lincoln, NE USA. [Becker, B. R.; Gesterling, K.; Gold, M. S.; Hague, J. D.; Matthews, J. A. J.; Miller, W.; Phan, N.] Univ New Mexico, Albuquerque, NM 87131 USA. [BenZvi, S.; Pfendner, C.; Westerhoff, S.] Univ Wisconsin, Madison, WI USA. [Anchordoqui, L.; Winders, L.] Univ Wisconsin, Milwaukee, WI 53201 USA. [Diep, P. N.; Dong, P. N.; Nhung, P. T.; Thao, N. T.] INST, Hanoi, Vietnam. [Pavlidou, V.] CALTECH, Pasadena, CA 91125 USA. [Yamamoto, T.] Konan Univ, Kobe, Hyogo, Japan. RP Salamida, F (reprint author), Karlsruhe Inst Technol, Inst Kernphys, Campus North, Karlsruhe, Germany. EM francesco.salamida@kit.edu RI Parente, Gonzalo/G-8264-2015; dos Santos, Eva/N-6351-2013; Alvarez-Muniz, Jaime/H-1857-2015; Rosado, Jaime/K-9109-2014; Valino, Ines/J-8324-2012; De Donato, Cinzia/J-9132-2015; Vazquez, Jose Ramon/K-2272-2015; Martello, Daniele/J-3131-2012; Insolia, Antonio/M-3447-2015; de Mello Neto, Joao/C-5822-2013; Fulgione, Walter/C-8255-2016; Lozano-Bahilo, Julio/F-4881-2016; Beatty, James/D-9310-2011; Sao Carlos Institute of Physics, IFSC/USP/M-2664-2016; Guarino, Fausto/I-3166-2012; Bonino, Raffaella/S-2367-2016; Rodriguez Frias, Maria /A-7608-2015; Oliva, Pietro/K-5915-2015; Inst. of Physics, Gleb Wataghin/A-9780-2017; De Mitri, Ivan/C-1728-2017; Rodriguez Fernandez, Gonzalo/C-1432-2014; Nosek, Dalibor/F-1129-2017; scuderi, mario/O-7019-2014; zas, enrique/I-5556-2015; Sarkar, Subir/G-5978-2011; Moura Santos, Edivaldo/K-5313-2016; Gouffon, Philippe/I-4549-2012; de Almeida, Rogerio/L-4584-2016; De Domenico, Manlio/B-5826-2014; Abreu, Pedro/L-2220-2014; Navas, Sergio/N-4649-2014; Arqueros, Fernando/K-9460-2014; Blanco, Francisco/F-1131-2015; Conceicao, Ruben/L-2971-2014; Schussler, Fabian/G-5313-2013; Nierstenhofer, Nils/H-3699-2013; Pakk Selmi-Dei, Daniel/H-2675-2013; Goncalves, Patricia /D-8229-2013; Assis, Pedro/D-9062-2013; Prouza, Michael/F-8514-2014; Mandat, Dusan/G-5580-2014; Bohacova, Martina/G-5898-2014; Cazon, Lorenzo/G-6921-2014; Schovanek, Petr/G-7117-2014; Travnicek, Petr/G-8814-2014; Smida, Radomir/G-6314-2014; Shellard, Ronald/G-4825-2012; Petrolini, Alessandro/H-3782-2011; Muller, Marcio Aparecido/H-9112-2012; fulgione, walter/I-5232-2012; D'Urso, Domenico/I-5325-2012; Bleve, Carla/J-2521-2012; Brogueira, Pedro/K-3868-2012; Chinellato, Jose Augusto/I-7972-2012; Yushkov, Alexey/A-6958-2013; Falcke, Heino/H-5262-2012; Ebr, Jan/H-8319-2012; Anjos, Joao/C-8335-2013; Caramete, Laurentiu/C-2328-2011; Fauth, Anderson/F-9570-2012; Todero Peixoto, Carlos Jose/G-3873-2012; Dutan, Ioana/C-2337-2011; Aramo, Carla/D-4317-2011; Pesce, Roberto/G-5791-2011; de souza, Vitor/D-1381-2012; Kemp, Ernesto/H-1502-2011; Chiavassa, Andrea/A-7597-2012; Verzi, Valerio/B-1149-2012; Chinellato, Carola Dobrigkeit /F-2540-2011; Venters, Tonia/D-2936-2012; Ridky, Jan/H-6184-2014; Chudoba, Jiri/G-7737-2014; Pech, Miroslav/G-5760-2014; Garcia Pinto, Diego/J-6724-2014; Pastor, Sergio/J-6902-2014; Tome, Bernardo/J-4410-2013; Espirito Santo, Maria Catarina/L-2341-2014; Pimenta, Mario/M-1741-2013; Ros, German/L-4764-2014; Di Giulio, Claudio/B-3319-2015; Pavlidou, Vasiliki/C-2944-2011; Bueno, Antonio/F-3875-2015 OI Parente, Gonzalo/0000-0003-2847-0461; dos Santos, Eva/0000-0002-0474-8863; Alvarez-Muniz, Jaime/0000-0002-2367-0803; Rosado, Jaime/0000-0001-8208-9480; Valino, Ines/0000-0001-7823-0154; De Donato, Cinzia/0000-0002-9725-1281; Vazquez, Jose Ramon/0000-0001-9217-5219; Martello, Daniele/0000-0003-2046-3910; Insolia, Antonio/0000-0002-9040-1566; de Mello Neto, Joao/0000-0002-3234-6634; Fulgione, Walter/0000-0002-2388-3809; Lozano-Bahilo, Julio/0000-0003-0613-140X; Sigl, Guenter/0000-0002-4396-645X; Segreto, Alberto/0000-0001-7341-6603; La Rosa, Giovanni/0000-0002-3931-2269; Gomez Berisso, Mariano/0000-0001-5530-0180; Salamida, Francesco/0000-0002-9306-8447; Catalano, Osvaldo/0000-0002-9554-4128; Ravignani, Diego/0000-0001-7410-8522; Zamorano, Bruno/0000-0002-4286-2835; Petrera, Sergio/0000-0002-6029-1255; Bonino, Raffaella/0000-0002-4264-1215; Rizi, Vincenzo/0000-0002-5277-6527; Mussa, Roberto/0000-0002-0294-9071; Beatty, James/0000-0003-0481-4952; Guarino, Fausto/0000-0003-1427-9885; Rodriguez Frias, Maria /0000-0002-2550-4462; Oliva, Pietro/0000-0002-3572-3255; De Mitri, Ivan/0000-0002-8665-1730; Rodriguez Fernandez, Gonzalo/0000-0002-4683-230X; Nosek, Dalibor/0000-0001-6219-200X; scuderi, mario/0000-0001-9026-5317; zas, enrique/0000-0002-4430-8117; Sarkar, Subir/0000-0002-3542-858X; Moura Santos, Edivaldo/0000-0002-2818-8813; Gouffon, Philippe/0000-0001-7511-4115; de Almeida, Rogerio/0000-0003-3104-2724; De Domenico, Manlio/0000-0001-5158-8594; Abreu, Pedro/0000-0002-9973-7314; Navas, Sergio/0000-0003-1688-5758; Arqueros, Fernando/0000-0002-4930-9282; Blanco, Francisco/0000-0003-4332-434X; Conceicao, Ruben/0000-0003-4945-5340; Schussler, Fabian/0000-0003-1500-6571; Goncalves, Patricia /0000-0003-2042-3759; Assis, Pedro/0000-0001-7765-3606; Prouza, Michael/0000-0002-3238-9597; Cazon, Lorenzo/0000-0001-6748-8395; Shellard, Ronald/0000-0002-2983-1815; Petrolini, Alessandro/0000-0003-0222-7594; D'Urso, Domenico/0000-0002-8215-4542; Brogueira, Pedro/0000-0001-6069-4073; Chinellato, Jose Augusto/0000-0002-3240-6270; Falcke, Heino/0000-0002-2526-6724; Ebr, Jan/0000-0001-8807-6162; Fauth, Anderson/0000-0001-7239-0288; Todero Peixoto, Carlos Jose/0000-0003-3669-8212; Chinellato, Carola Dobrigkeit /0000-0002-1236-0789; Del Peral, Luis/0000-0003-2580-5668; Coutu, Stephane/0000-0003-2923-2246; Ulrich, Ralf/0000-0002-2535-402X; Garcia, Beatriz/0000-0003-0919-2734; Dembinski, Hans/0000-0003-3337-3850; Anzalone, Anna/0000-0003-1849-198X; Knapp, Johannes/0000-0003-1519-1383; Tiwari, Dhirendra Kumar/0000-0002-6754-3398; Asorey, Hernan/0000-0002-4559-8785; Andringa, Sofia/0000-0002-6397-9207; Mantsch, Paul/0000-0002-8382-7745; Aramo, Carla/0000-0002-8412-3846; Matthews, James/0000-0002-1832-4420; Yuan, Guofeng/0000-0002-1907-8815; de Jong, Sijbrand/0000-0002-3120-3367; Marsella, Giovanni/0000-0002-3152-8874; Navarro Quirante, Jose Luis/0000-0002-9915-1735; Cataldi, Gabriella/0000-0001-8066-7718; Aglietta, Marco/0000-0001-8354-5388; Maccarone, Maria Concetta/0000-0001-8722-0361; Kothandan, Divay/0000-0001-9048-7518; Castellina, Antonella/0000-0002-0045-2467; maldera, simone/0000-0002-0698-4421; Ridky, Jan/0000-0001-6697-1393; Garcia Pinto, Diego/0000-0003-1348-6735; Tome, Bernardo/0000-0002-7564-8392; Espirito Santo, Maria Catarina/0000-0003-1286-7288; Pimenta, Mario/0000-0002-2590-0908; Ros, German/0000-0001-6623-1483; Di Giulio, Claudio/0000-0002-0597-4547; Pavlidou, Vasiliki/0000-0002-0870-1368; Bueno, Antonio/0000-0002-7439-4247 FU Comision Nacional de Energia Atomica; Fundacion Antorchas; Gobierno De La Provincia de Mendoza; Municipalidad de Malargue; Australian Research Council; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq); Financiadora de Estudos e Projetos (FINEP); Fundacao de Amparo a Pesquisa do Estado de Rio de Janeiro (FAPERJ); Fundacao de Amparo Pesquisa do Estado de Sao Paulo (FAPESP); Ministerio de Ciencia e Tecnologia (MCT), Brazil; AVCR, Czech Republic [AV0Z10100502, AV0Z10100522]; GAAV, Czech Republic [KJB300100801, KJB100100904]; MSMT-CR, Czech Republic [LA08016, LC527, 1M06002, MSM0021620859]; Centre de Calcul [IN2P3/CNRS]; Centre National de la Recherche Scientifique (CNRS); Conseil Regional Ile-de-France; Departement Physique Nucleaire et Corpusculaire (PNC-IN2P3/CNRS); Departement Sciences de l'Univers (SDU-INSU/CNRS), France; Bundesministerium fur Bildung und Forschung (BMBF); Deutsche Forschungsgemeinschaft (DFG); Finanzministerium Baden-Wurttemberg; Helmholtz-Gemeinschaft Deutscher Forschungszentren (HGF); Ministerium fur Wissenschaft und Forschung; Nordrhein-Westfalen; Ministerium fur Wissenschaft; Forschung und Kunst; Baden-Wurttemberg, Germany; Istituto Nazionale di Fisica Nucleare (INFN); Istituto Nazionale di Astrofisica (INAF); Ministerodell'Istruzione, dell'Universita e della Ricerca(MIUR), Italy; Consejo Nacional de Ciencia y Tecnologia (CONACYT), Mexico; Ministerie van Onderwijs; Cultuur en Wetenschap; Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO); Stichting voor Fundamenteel Onderzoek der Materie (FOM), Netherlands; Ministry of Science and Higher Education, Poland [1 P03 D 014 30, N N202 207238]; Fundacao para a Ciencia e a Tecnologia, Portugal; Ministry for Higher Education, Science, and Technology; Slovenian Research Agency, Slovenia; Comunidad de Madrid; Consejeria de Educacion de la Comunidad de Castilla La Mancha; FEDER; Ministerio de Ciencia e Innovacion; Generalitat Valenciana; Junta de Andalucia; Xunta de Galicia, Spain; Science and Technology Facilities Council, United Kingdom; Department of Energy [DE-AC02-07CH11359, DE-FR02-04ER41300]; National Science Foundation [0450696]; Grainger Foundation USA; ALFA-EC/HELEN; European Union [MEIF-CT-2005-0250, PIEF-GA-2008-22024057]; UNESCO; Consolider-Ingenio FX We are very grateful to the following agencies and organizations for financial support: Comision Nacional de Energia Atomica, Fundacion Antorchas, Gobierno De La Provincia de Mendoza, Municipalidad de Malargue, NDM Holdings and Valle Las Lenas, in gratitude for their continuing cooperation over land access, Argentina; the Australian Research Council; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq), Financiadora de Estudos e Projetos (FINEP), Fundacao de Amparo a Pesquisa do Estado de Rio de Janeiro (FAPERJ), Fundacao de Amparo Pesquisa do Estado de Sao Paulo (FAPESP), Ministerio de Ciencia e Tecnologia (MCT), Brazil; AVCR AV0Z10100502 and AV0Z10100522, GAAV KJB300100801 and KJB100100904, MSMT-CR LA08016, LC527, 1M06002, and MSM0021620859, Czech Republic; Centre de Calcul IN2P3/CNRS, Centre National de la Recherche Scientifique (CNRS), Conseil Regional Ile-de-France, Departement Physique Nucleaire et Corpusculaire (PNC-IN2P3/CNRS), Departement Sciences de l'Univers (SDU-INSU/CNRS), France; Bundesministerium fur Bildung und Forschung (BMBF), Deutsche Forschungsgemeinschaft (DFG), Finanzministerium Baden-Wurttemberg, Helmholtz-Gemeinschaft Deutscher Forschungszentren (HGF), Ministerium fur Wissenschaft und Forschung, Nordrhein-Westfalen, Ministerium fur Wissenschaft, Forschung und Kunst, Baden-Wurttemberg, Germany; Istituto Nazionale di Fisica Nucleare (INFN), Istituto Nazionale di Astrofisica (INAF), Ministerodell'Istruzione, dell'Universita e della Ricerca(MIUR), Italy; Consejo Nacional de Ciencia y Tecnologia (CONACYT), Mexico; Ministerie van Onderwijs, Cultuur en Wetenschap, Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO), Stichting voor Fundamenteel Onderzoek der Materie (FOM), Netherlands; Ministry of Science and Higher Education, Grant Nos. 1 P03 D 014 30 and N N202 207238, Poland; Fundacao para a Ciencia e a Tecnologia, Portugal; Ministry for Higher Education, Science, and Technology, Slovenian Research Agency, Slovenia; Comunidad de Madrid, Consejeria de Educacion de la Comunidad de Castilla La Mancha, FEDER funds, Ministerio de Ciencia e Innovacion and Consolider-Ingenio 2010 (CPAN), Generalitat Valenciana, Junta de Andalucia, Xunta de Galicia, Spain; Science and Technology Facilities Council, United Kingdom; Department of Energy, Contract Nos. DE-AC02-07CH11359, DE-FR02-04ER41300, National Science Foundation, Grant No. 0450696, The Grainger Foundation USA; ALFA-EC/HELEN, European Union 6th Framework Program, Grant No. MEIF-CT-2005-025057, European Union 7th Framework Program, Grant No. PIEF-GA-2008-220240, and UNESCO. NR 35 TC 35 Z9 35 U1 0 U2 29 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-6505 J9 ASTROPART PHYS JI Astropart Phys. PD JAN PY 2011 VL 34 IS 6 BP 368 EP 381 DI 10.1016/j.astropartphys.2010.10.001 PG 14 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 717SX UT WOS:000287068800007 ER PT J AU Abbasi, R Abdou, Y Abu-Zayyad, T Adams, J Aguilar, JA Ahlers, M Andeen, K Auffenberg, J Bai, X Baker, M Barwick, SW Bay, R Alba, JLB Beattie, K Beatty, JJ Bechet, S Becker, JK Becker, KH Benabderrahmane, ML Berdermann, J Berghaus, P Berley, D Bernardini, E Bertrand, D Besson, DZ Bissok, M Blaufuss, E Boersma, DJ Bohm, C Boser, S Botner, O Bradley, L Braun, J Buitink, S Carson, M Chirkin, D Christy, B Clem, J Clevermann, F Cohen, S Colnard, C Cowen, DF D'Agostino, MV Danninger, M De Clercq, C Demirors, L Depaepe, O Descamps, F Desiati, P de Vries-Uiterweerd, G DeYoung, T Diaz-Velez, JC Dreyer, J Dumm, JP Duvoort, MR Ehrlich, R Eisch, J Ellsworth, RW Engdegard, O Euler, S Evenson, PA Fadiran, O Fazely, AR Feusels, T Filimonov, K Finley, C Foerster, MM Fox, BD Franckowiak, A Franke, R Gaisser, TK Gallagher, J Ganugapati, R Geisler, M Gerhardt, L Gladstone, L Glusenkamp, T Goldschmidt, A Goodman, JA Grant, D Griesel, T Gross, A Grullon, S Gunasingha, RM Gurtner, M Gustafsson, L Ha, C Hallgren, A Halzen, F Han, K Hanson, K Helbing, K Herquet, P Hickford, S Hill, GC Hoffman, KD Homeier, A Hoshina, K Hubert, D Huelsnitz, W Hulss, JP Hulth, PO Hultqvist, K Hussain, S Imlay, RL Ishihara, A Jacobsen, J Japaridze, GS Johansson, H Joseph, JM Kampert, KH Kappes, A Karg, T Karle, A Kelley, JL Kemming, N Kenny, P Kiryluk, J Kislat, F Klein, SR Knops, S Kohne, JH Kohnen, G Kolanoski, H Kopke, L Koskinen, D Kowalski, M Kowarik, T Krasberg, M Krings, T Kroll, G Kuehn, K Kuwabara, T Labare, M Lafebre, S Laihem, K Landsman, H Lauer, R Lehmann, R Lennarz, D Lunemann, J Madsen, J Majumdar, P Maruyama, R Mase, K Matis, HS Matusik, M Meagher, K Merck, M Meszaros, P Meures, T Middell, E Milke, N Montaruli, T Morse, R Movit, SM Nahnhauer, R Nam, JW Naumann, U Niessen, P Nygren, DR Odrowski, S Olivas, A Olivo, M Ono, M Panknin, S Paul, L de los Heros, CP Petrovic, J Piegsa, A Pieloth, D Porrata, R Posselt, J Price, PB Prikockis, M Przybylski, GT Rawlins, K Redl, P Resconi, E Rhode, W Ribordy, M Rizzo, A Rodrigues, JP Roth, P Rothmaier, F Rott, C Roucelle, C Ruhe, T Rutledge, D Ruzybayev, B Ryckbosch, D Sander, HG Sarkar, S Schatto, K Schlenstedt, S Schmidt, T Schneider, D Schukraft, A Schultes, A Schulz, O Schunck, M Seckel, D Semburg, B Seo, SH Sestayo, Y Seunarine, S Silvestri, A Slipakaj, A Spiczak, GM Spiering, C Stamatikos, M Stanev, T Stephens, G Stezelberger, T Stokstad, RG Stoyanov, S Strahler, EA Straszheim, T Sullivan, GW Swillens, Q Taboada, I Tamburro, A Tarasova, O Tepe, A Ter-Antonyan, S Tilav, S Toale, PA Tosi, D Turcan, D van Eijndhoven, N Vandenbroucke, J Van Overloop, A van Santen, J Voigt, B Walck, C Waldenmaier, T Wallraff, M Walter, M Wendt, C Westerhoff, S Whitehorn, N Wiebe, K Wiebusch, CH Wikstrom, G Williams, DR Wischnewski, R Wissing, H Woschnagg, K Xu, C Xu, XW Yanez, JP Yodh, G Yoshida, S Zarzhitsky, P AF Abbasi, R. Abdou, Y. Abu-Zayyad, T. Adams, J. Aguilar, J. A. Ahlers, M. Andeen, K. Auffenberg, J. Bai, X. Baker, M. Barwick, S. W. Bay, R. Alba, J. L. Bazo Beattie, K. Beatty, J. J. Bechet, S. Becker, J. K. Becker, K. -H. Benabderrahmane, M. L. Berdermann, J. Berghaus, P. Berley, D. Bernardini, E. Bertrand, D. Besson, D. Z. Bissok, M. Blaufuss, E. Boersma, D. J. Bohm, C. Boeser, S. Botner, O. Bradley, L. Braun, J. Buitink, S. Carson, M. Chirkin, D. Christy, B. Clem, J. Clevermann, F. Cohen, S. Colnard, C. Cowen, D. F. D'Agostino, M. V. Danninger, M. De Clercq, C. Demiroers, L. Depaepe, O. Descamps, F. Desiati, P. de Vries-Uiterweerd, G. DeYoung, T. Diaz-Velez, J. C. Dreyer, J. Dumm, J. P. Duvoort, M. R. Ehrlich, R. Eisch, J. Ellsworth, R. W. Engdegard, O. Euler, S. Evenson, P. A. Fadiran, O. Fazely, A. R. Feusels, T. Filimonov, K. Finley, C. Foerster, M. M. Fox, B. D. Franckowiak, A. Franke, R. Gaisser, T. K. Gallagher, J. Ganugapati, R. Geisler, M. Gerhardt, L. Gladstone, L. Gluesenkamp, T. Goldschmidt, A. Goodman, J. A. Grant, D. Griesel, T. Gross, A. Grullon, S. Gunasingha, R. M. Gurtner, M. Gustafsson, L. Ha, C. Hallgren, A. Halzen, F. Han, K. Hanson, K. Helbing, K. Herquet, P. Hickford, S. Hill, G. C. Hoffman, K. D. Homeier, A. Hoshina, K. Hubert, D. Huelsnitz, W. Huelss, J. -P. Hulth, P. O. Hultqvist, K. Hussain, S. Imlay, R. L. Ishihara, A. Jacobsen, J. Japaridze, G. S. Johansson, H. Joseph, J. M. Kampert, K. -H. Kappes, A. Karg, T. Karle, A. Kelley, J. L. Kemming, N. Kenny, P. Kiryluk, J. Kislat, F. Klein, S. R. Knops, S. Koehne, J. -H. Kohnen, G. Kolanoski, H. Koepke, L. Koskinen, Dj. Kowalski, M. Kowarik, T. Krasberg, M. Krings, T. Kroll, G. Kuehn, K. Kuwabara, T. Labare, M. Lafebre, S. Laihem, K. Landsman, H. Lauer, R. Lehmann, R. Lennarz, D. Luenemann, J. Madsen, J. Majumdar, P. Maruyama, R. Mase, K. Matis, H. S. Matusik, M. Meagher, K. Merck, M. Meszaros, P. Meures, T. Middell, E. Milke, N. Montaruli, T. Morse, R. Movit, S. M. Nahnhauer, R. Nam, J. W. Naumann, U. Niessen, P. Nygren, D. R. Odrowski, S. Olivas, A. Olivo, M. Ono, M. Panknin, S. Paul, L. de los Heros, C. Perez Petrovic, J. Piegsa, A. Pieloth, D. Porrata, R. Posselt, J. Price, P. B. Prikockis, M. Przybylski, G. T. Rawlins, K. Redl, P. Resconi, E. Rhode, W. Ribordy, M. Rizzo, A. Rodrigues, J. P. Roth, P. Rothmaier, F. Rott, C. Roucelle, C. Ruhe, T. Rutledge, D. Ruzybayev, B. Ryckbosch, D. Sander, H. -G. Sarkar, S. Schatto, K. Schlenstedt, S. Schmidt, T. Schneider, D. Schukraft, A. Schultes, A. Schulz, O. Schunck, M. Seckel, D. Semburg, B. Seo, S. H. Sestayo, Y. Seunarine, S. Silvestri, A. Slipakaj, A. Spiczak, G. M. Spiering, C. Stamatikos, M. Stanev, T. Stephens, G. Stezelberger, T. Stokstad, R. G. Stoyanov, S. Strahler, E. A. Straszheim, T. Sullivan, G. W. Swillens, Q. Taboada, I. Tamburro, A. Tarasova, O. Tepe, A. Ter-Antonyan, S. Tilav, S. Toale, P. A. Tosi, D. Turcan, D. van Eijndhoven, N. Vandenbroucke, J. Van Overloop, A. van Santen, J. Voigt, B. Walck, C. Waldenmaier, T. Wallraff, M. Walter, M. Wendt, C. Westerhoff, S. Whitehorn, N. Wiebe, K. Wiebusch, C. H. Wikstrom, G. Williams, D. R. Wischnewski, R. Wissing, H. Woschnagg, K. Xu, C. Xu, X. W. Yanez, J. P. Yodh, G. Yoshida, S. Zarzhitsky, P. CA IceCube Collaboration TI Measurement of acoustic attenuation in South Pole ice SO ASTROPARTICLE PHYSICS LA English DT Article DE Neutrino astronomy; Acoustics; South Pole; Acoustic attenuation; Ice ID SPECTRUM AB Using the South Pole Acoustic Test Setup (SPATS) and a retrievable transmitter deployed in holes drilled for the IceCube experiment, we have measured the attenuation of acoustic signals by South Pole ice at depths between 190 m and 500 m. Three data sets, using different acoustic sources, have been analyzed and give consistent results. The method with the smallest systematic uncertainties yields an amplitude attenuation coefficient alpha = 3.20 +/- 0.57 km(-1) between 10 and 30 kHz, considerably larger than previous theoretical estimates. Expressed as an attenuation length, the analyses give a consistent result for lambda equivalent to 1/alpha of similar to 300 m with 20% uncertainty. No significant depth or frequency dependence has been found. (C) 2010 Elsevier B.V. All rights reserved. C1 [Alba, J. L. Bazo; Benabderrahmane, M. L.; Berdermann, J.; Bernardini, E.; Franke, R.; Kislat, F.; Lauer, R.; Majumdar, P.; Middell, E.; Nahnhauer, R.; Schlenstedt, S.; Spiering, C.; Tarasova, O.; Tosi, D.; Voigt, B.; Walter, M.; Wischnewski, R.] DESY, D-15735 Zeuthen, Germany. [Bissok, M.; Boersma, D. J.; Euler, S.; Geisler, M.; Gluesenkamp, T.; Huelss, J. -P.; Knops, S.; Krings, T.; Laihem, K.; Lennarz, D.; Meures, T.; Paul, L.; Schukraft, A.; Schunck, M.; Wallraff, M.; Wiebusch, C. H.] Rhein Westfal TH Aachen, Inst Phys 3, D-52056 Aachen, Germany. [Williams, D. R.; Zarzhitsky, P.] Univ Alabama, Dept Phys & Astron, Tuscaloosa, AL 35487 USA. [Rawlins, K.] Univ Alaska Anchorage, Dept Phys & Astron, Anchorage, AK 99508 USA. [Fadiran, O.; Japaridze, G. S.] Clark Atlanta Univ, CTSPS, Atlanta, GA 30314 USA. [Taboada, I.; Tepe, A.] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA. [Taboada, I.; Tepe, A.] Georgia Inst Technol, Ctr Relativist Astrophys, Atlanta, GA 30332 USA. [Fazely, A. R.; Gunasingha, R. M.; Imlay, R. L.; Ter-Antonyan, S.; Xu, X. W.] Southern Univ, Dept Phys, Baton Rouge, LA 70813 USA. [Bay, R.; D'Agostino, M. V.; Filimonov, K.; Gerhardt, L.; Kiryluk, J.; Klein, S. R.; Porrata, R.; Price, P. B.; Vandenbroucke, J.; Woschnagg, K.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Beattie, K.; Buitink, S.; Gerhardt, L.; Goldschmidt, A.; Joseph, J. M.; Kiryluk, J.; Klein, S. R.; Matis, H. S.; Nygren, D. R.; Przybylski, G. T.; Stezelberger, T.; Stokstad, R. G.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Franckowiak, A.; Homeier, A.; Kemming, N.; Kolanoski, H.; Lehmann, R.; Panknin, S.; van Santen, J.; Waldenmaier, T.] Humboldt Univ, Inst Phys, D-12489 Berlin, Germany. [Becker, J. K.; Dreyer, J.; Olivo, M.] Ruhr Univ Bochum, Fak Phys & Astron, D-44780 Bochum, Germany. [Boeser, S.; Kowalski, M.] Univ Bonn, Inst Phys, D-53115 Bonn, Germany. [Seunarine, S.] Univ W Indies, Dept Phys, BB-11000 Bridgetown, Barbados. [Bechet, S.; Bertrand, D.; Labare, M.; Petrovic, J.; Swillens, Q.] Vrije Univ Brussel, Sci Fac CP230, B-1050 Brussels, Belgium. [De Clercq, C.; Depaepe, O.; Hubert, D.; Rizzo, A.; Strahler, E. A.; van Eijndhoven, N.] Vrije Univ Brussel, Dienst ELEM, B-1050 Brussels, Belgium. [Ishihara, A.; Mase, K.; Ono, M.; Yoshida, S.] Chiba Univ, Dept Phys, Chiba 2638522, Japan. [Adams, J.; Gross, A.; Han, K.; Hickford, S.] Univ Canterbury, Dept Phys & Astron, Christchurch 1, New Zealand. [Berley, D.; Blaufuss, E.; Christy, B.; Colnard, C.; Ehrlich, R.; Ellsworth, R. W.; Goodman, J. A.; Hoffman, K. D.; Huelsnitz, W.; Meagher, K.; Olivas, A.; Redl, P.; Roth, P.; Schmidt, T.; Straszheim, T.; Sullivan, G. W.; Turcan, D.; Wissing, H.] Univ Maryland, Dept Phys, College Pk, MD 20742 USA. [Beatty, J. J.; Kuehn, K.; Rott, C.; Stamatikos, M.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Beatty, J. J.; Kuehn, K.; Rott, C.; Stamatikos, M.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Beatty, J. J.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Clevermann, F.; Koehne, J. -H.; Milke, N.; Pieloth, D.; Rhode, W.; Ruhe, T.] TU Dortmund Univ, Dept Phys, D-44221 Dortmund, Germany. [Grant, D.] Univ Alberta, Dept Phys, Edmonton, AB T6G 2G7, Canada. [Abdou, Y.; Carson, M.; Descamps, F.; de Vries-Uiterweerd, G.; Feusels, T.; Ryckbosch, D.; Van Overloop, A.] Univ Ghent, Dept Subatom & Radiat Phys, B-9000 Ghent, Belgium. [Gross, A.; Odrowski, S.; Resconi, E.; Roucelle, C.; Schulz, O.; Sestayo, Y.] Max Planck Inst Kernphys, D-69177 Heidelberg, Germany. [Barwick, S. W.; Nam, J. W.; Silvestri, A.; Yodh, G.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Cohen, S.; Demiroers, L.; Ribordy, M.] Ecole Polytech Fed Lausanne, High Energy Phys Lab, CH-1015 Lausanne, Switzerland. [Besson, D. Z.; Kenny, P.] Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. [Gallagher, J.] Univ Wisconsin, Dept Astron, Madison, WI 53706 USA. [Abbasi, R.; Aguilar, J. A.; Andeen, K.; Baker, M.; Berghaus, P.; Braun, J.; Chirkin, D.; Desiati, P.; Diaz-Velez, J. C.; Dumm, J. P.; Eisch, J.; Ganugapati, R.; Gladstone, L.; Grullon, S.; Halzen, F.; Hanson, K.; Hill, G. C.; Hoshina, K.; Jacobsen, J.; Kappes, A.; Karle, A.; Kelley, J. L.; Krasberg, M.; Landsman, H.; Maruyama, R.; Merck, M.; Montaruli, T.; Morse, R.; Rodrigues, J. P.; Schneider, D.; Wendt, C.; Westerhoff, S.; Whitehorn, N.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Griesel, T.; Koepke, L.; Kowarik, T.; Kroll, G.; Luenemann, J.; Piegsa, A.; Rothmaier, F.; Sander, H. -G.; Schatto, K.; Wiebe, K.] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. [Herquet, P.; Kohnen, G.] Univ Mons, B-7000 Mons, Belgium. [Bai, X.; Clem, J.; Evenson, P. A.; Gaisser, T. K.; Hussain, S.; Kuwabara, T.; Niessen, P.; Ruzybayev, B.; Seckel, D.; Stanev, T.; Stoyanov, S.; Tilav, S.; Xu, C.] Univ Delaware, Bartol Res Inst, Newark, DE 19716 USA. [Bai, X.; Clem, J.; Evenson, P. A.; Gaisser, T. K.; Hussain, S.; Kuwabara, T.; Niessen, P.; Ruzybayev, B.; Seckel, D.; Stanev, T.; Stoyanov, S.; Tilav, S.; Xu, C.] Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA. [Ahlers, M.; Sarkar, S.] Univ Oxford, Dept Phys, Oxford OX1 3NP, England. [Abu-Zayyad, T.; Madsen, J.; Spiczak, G. M.; Tamburro, A.] Univ Wisconsin, Dept Phys, River Falls, WI 54022 USA. [Bohm, C.; Danninger, M.; Finley, C.; Hulth, P. O.; Hultqvist, K.; Johansson, H.; Seo, S. H.; Walck, C.; Wikstrom, G.] Stockholm Univ, Oskar Klein Ctr, SE-10691 Stockholm, Sweden. [Bohm, C.; Danninger, M.; Finley, C.; Hulth, P. O.; Hultqvist, K.; Johansson, H.; Seo, S. H.; Walck, C.; Wikstrom, G.] Stockholm Univ, Dept Phys, SE-10691 Stockholm, Sweden. [Cowen, D. F.; Meszaros, P.; Movit, S. M.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Bradley, L.; Cowen, D. F.; DeYoung, T.; Foerster, M. M.; Fox, B. D.; Ha, C.; Koskinen, Dj.; Lafebre, S.; Meszaros, P.; Prikockis, M.; Rutledge, D.; Slipakaj, A.; Stephens, G.; Toale, P. A.] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. [Botner, O.; Engdegard, O.; Gustafsson, L.; Hallgren, A.; Olivo, M.; de los Heros, C. Perez; Yanez, J. P.] Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden. [Duvoort, M. R.] Univ Utrecht, Dept Phys & Astron, SRON, NL-3584 CC Utrecht, Netherlands. [Auffenberg, J.; Becker, K. -H.; Gurtner, M.; Helbing, K.; Kampert, K. -H.; Karg, T.; Matusik, M.; Naumann, U.; Posselt, J.; Schultes, A.; Semburg, B.] Berg Univ Wuppertal, Dept Phys, D-42119 Wuppertal, Germany. RP Tosi, D (reprint author), DESY, D-15735 Zeuthen, Germany. EM deliatosi@berkeley.edu RI Botner, Olga/A-9110-2013; Hallgren, Allan/A-8963-2013; Tjus, Julia/G-8145-2012; Auffenberg, Jan/D-3954-2014; Koskinen, David/G-3236-2014; Aguilar Sanchez, Juan Antonio/H-4467-2015; Maruyama, Reina/A-1064-2013; Sarkar, Subir/G-5978-2011; Beatty, James/D-9310-2011; Wiebusch, Christopher/G-6490-2012; Tamburro, Alessio/A-5703-2013 OI Perez de los Heros, Carlos/0000-0002-2084-5866; Buitink, Stijn/0000-0002-6177-497X; Carson, Michael/0000-0003-0400-7819; Hubert, Daan/0000-0002-4365-865X; Benabderrahmane, Mohamed Lotfi/0000-0003-4410-5886; Lauer, Robert/0000-0003-1933-7861; Auffenberg, Jan/0000-0002-1185-9094; Koskinen, David/0000-0002-0514-5917; Aguilar Sanchez, Juan Antonio/0000-0003-2252-9514; Maruyama, Reina/0000-0003-2794-512X; Sarkar, Subir/0000-0002-3542-858X; Beatty, James/0000-0003-0481-4952; Ter-Antonyan, Samvel/0000-0002-5788-1369; Schukraft, Anne/0000-0002-9112-5479; Wiebusch, Christopher/0000-0002-6418-3008; FU US National Science Foundation - Office of Polar Program; US National Science Foundation-Physics Division; University of Wisconsin Alumni Research Foundation; US Department of Energy; National Energy Research Scientific Computing Center; Louisiana Optical Network Initiative (LONI); Swedish Research Council; Swedish Polar Research Secretariat; Swedish National Infrastructure for Computing (SNIC); Knut and Alice Wallenberg Foundation, Sweden; German Ministry for Education and Research (BMBF); Deutsche Forschungsgemeinschaft (DFG); Research Department of Plasmas with Complex Interactions (Bochum), Germany; FNRS-FWO; FWO Odysseus programme; Flanders Institute; Belgian Federal Science Policy Office (Belspo); Marsden Fund, New Zealand; Japan Society for Promotion of Science (JSPS); Swiss National Science Foundation (SNSF), Switzerland; EU; Capes Foundation; Ministry of Education of Brazil FX We acknowledge the support from the following agencies: US National Science Foundation - Office of Polar Program, US National Science Foundation-Physics Division, University of Wisconsin Alumni Research Foundation, US Department of Energy, and National Energy Research Scientific Computing Center, the Louisiana Optical Network Initiative (LONI) grid computing resources; Swedish Research Council, Swedish Polar Research Secretariat, Swedish National Infrastructure for Computing (SNIC), and Knut and Alice Wallenberg Foundation, Sweden; German Ministry for Education and Research (BMBF), Deutsche Forschungsgemeinschaft (DFG), Research Department of Plasmas with Complex Interactions (Bochum), Germany; Fund for Scientific Research (FNRS-FWO), FWO Odysseus programme, Flanders Institute to encourage scientific and technological research in industry (IWT), Belgian Federal Science Policy Office (Belspo); Marsden Fund, New Zealand; Japan Society for Promotion of Science (JSPS); the Swiss National Science Foundation (SNSF), Switzerland; A. Kappes and A. Grog acknowledge support by the EU Marie Curie OIF Program; J.P. Rodrigues acknowledge support by the Capes Foundation, Ministry of Education of Brazil. NR 27 TC 18 Z9 18 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-6505 EI 1873-2852 J9 ASTROPART PHYS JI Astropart Phys. PD JAN PY 2011 VL 34 IS 6 BP 382 EP 393 DI 10.1016/j.astropartphys.2010.10.003 PG 12 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 717SX UT WOS:000287068800008 ER PT J AU Abbasi, R Abdou, Y Abu-Zayyad, T Actis, O Adams, J Aguilar, JA Ahlers, M Andeen, K Auffenberg, J Bai, X Baker, M Barwick, SW Bay, R Alba, JLB Beattie, K Beatty, JJ Bechet, S Becker, JK Becker, KH Benabderrahmane, ML Berdermann, J Berghaus, P Berley, D Bernardini, E Bertrand, D Besson, DZ Bissok, M Blaufuss, E Boersma, DJ Bohm, C Boser, S Botner, O Bradley, L Braun, J Buitirik, S Carson, M Chirkin, D Christy, B Clem, J Clevermann, F Cohen, S Colnard, C Cowen, DF D'Agostino, MV Danninger, M Davis, JC De Clercq, C Demirors, L Depaepe, O Descamps, F Desiati, P de Vries-Uiterweerd, G DeYoung, T Diaz-Velez, JC Dreyer, J Dumm, JP Duvoort, MR Ehrlich, R Eisch, J Ellsworth, RW Engdegard, O Euler, S Evenson, PA Fadiran, O Fazely, AR Feusels, T Filimonov, K Finley, C Foerster, MM Fox, BD Franckowiak, A Franke, R Gaisser, TK Gallagher, J Ganugapati, R Geisler, M Gerhardt, L Gladstone, L Glusenkamp, T Goldschmidt, A Goodman, JA Grant, D Griesel, T Gross, A Grullon, S Gunasingha, RM Gurtner, M Ha, C Hallgren, A Halzen, F Han, K Hanson, K Helbing, K Herquet, P Hickford, S Hill, GC Hoffman, KD Homeier, A Hoshina, K Hubert, D Huelsnitz, W Hulss, JP Hulth, PO Hultqvist, K Hussain, S Imlay, RL Ishihara, A Jacobsen, J Japaridze, GS Johansson, H Joseph, JM Kampert, KH Kappes, A Karg, T Karle, A Kelley, JL Kemming, N Kenny, P Kiryluk, J Kislat, F Klein, SR Knops, S Kohne, JH Kohnen, G Kolanoski, H Kopke, L Koskinen, DJ Kowalski, M Kowarik, T Krasberg, M Krings, T Kroll, G Kuehn, K Kuwabara, T Labare, M Lafebre, S Laihem, K Landsman, H Lauer, R Lehmann, R Lennarz, D Lunemann, J Madsen, J Majumdar, P Maruyama, R Mase, K Matis, HS Matusik, M Meagher, K Merck, M Meszaros, P Meures, T Middell, E Milke, N Miller, J Montaruli, T Morse, R Movit, SM Nahnhauer, R Nam, JW Naumann, U Niessen, P Nygren, DR Odrowski, S Olivas, A Olivo, M Ono, M Panknin, S Paul, L de los Heros, CP Petrovic, J Piegsa, A Pieloth, D Porrata, R Posselt, J Price, PB Prikockis, M Przybylski, GT Rawlins, K Redl, P Resconi, E Rhode, W Ribordy, M Rizzo, A Rodrigues, JP Roth, P Rothmaier, F Rott, C Roucelle, C Ruhe, T Rutledge, D Ruzybayev, B Ryckbosch, D Sander, HG Sarkar, S Schatto, K Schlenstedt, S Schmidt, T Schneider, D Schukraft, A Schultes, A Schulz, O Schunck, M Seckel, D Semburg, B Seo, SH Sestayo, Y Seunarine, S Silvestri, A Slipak, A Spiczak, GM Spiering, C Stamatikos, M Stanev, T Stephens, G Stezelberger, T Stokstad, RG Stoyanov, S Strahler, EA Straszheim, T Sullivan, GW Swillens, Q Taboada, I Tamburro, A Tepe, A Ter-Antonyan, S Tilav, S Toale, PA Tosi, D Turcan, D van Eijndhoven, N Vandenbroucke, J Van Overloop, A van Santen, J Voigt, B Walck, C Waldenmaier, T Wallraff, M Walter, M Wendt, C Westerhoff, S Whitehorn, N Wiebe, K Wiebusch, CH Wikstrom, G Williams, DR Wischnewski, R Wissing, H Woschnagg, K Xu, C Xu, XW Yodh, G Yoshida, S Zarzhitsky, P AF Abbasi, R. Abdou, Y. Abu-Zayyad, T. Actis, O. Adams, J. Aguilar, J. A. Ahlers, M. Andeen, K. Auffenberg, J. Bai, X. Baker, M. Barwick, S. W. Bay, R. Alba, J. L. Bazo Beattie, K. Beatty, J. J. Bechet, S. Becker, J. K. Becker, K. -H. Benabderrahmane, M. L. Berdermann, J. Berghaus, P. Berley, D. Bernardini, E. Bertrand, D. Besson, D. Z. Bissok, M. Blaufuss, E. Boersma, D. J. Bohm, C. Boeser, S. Botner, O. Bradley, L. Braun, J. Buitirik, S. Carson, M. Chirkin, D. Christy, B. Clem, J. Clevermann, F. Cohen, S. Colnard, C. Cowen, D. F. D'Agostino, M. V. Danninger, M. Davis, J. C. De Clercq, C. Demiroers, L. Depaepe, O. Descamps, F. Desiati, P. de Vries-Uiterweerd, G. DeYoung, T. Diaz-Velez, J. C. Dreyer, J. Dumm, J. P. Duvoort, M. R. Ehrlich, R. Eisch, J. Ellsworth, R. W. Engdegard, O. Euler, S. Evenson, P. A. Fadiran, O. Fazely, A. R. Feusels, T. Filimonov, K. Finley, C. Foerster, M. M. Fox, B. D. Franckowiak, A. Franke, R. Gaisser, T. K. Gallagher, J. Ganugapati, R. Geisler, M. Gerhardt, L. Gladstone, L. Gluesenkamp, T. Goldschmidt, A. Goodman, J. A. Grant, D. Griesel, T. Gross, A. Grullon, S. Gunasingha, R. M. Gurtner, M. Ha, C. Hallgren, A. Halzen, F. Han, K. Hanson, K. Helbing, K. Herquet, P. Hickford, S. Hill, G. C. Hoffman, K. D. Homeier, A. Hoshina, K. Hubert, D. Huelsnitz, W. Huelss, J. -P. Hulth, P. O. Hultqvist, K. Hussain, S. Imlay, R. L. Ishihara, A. Jacobsen, J. Japaridze, G. S. Johansson, H. Joseph, J. M. Kampert, K. -H. Kappes, A. Karg, T. Karle, A. Kelley, J. L. Kemming, N. Kenny, P. Kiryluk, J. Kislat, F. Klein, S. R. Knops, S. Koehne, J. -H. Kohnen, G. Kolanoski, H. Koepke, L. Koskinen, D. J. Kowalski, M. Kowarik, T. Krasberg, M. Krings, T. Kroll, G. Kuehn, K. Kuwabara, T. Labare, M. Lafebre, S. Laihem, K. Landsman, H. Lauer, R. Lehmann, R. Lennarz, D. Luenemann, J. Madsen, J. Majumdar, P. Maruyama, R. Mase, K. Matis, H. S. Matusik, M. Meagher, K. Merck, M. Meszaros, P. Meures, T. Middell, E. Milke, N. Miller, J. Montaruli, T. Morse, R. Movit, S. M. Nahnhauer, R. Nam, J. W. Naumann, U. Niessen, P. Nygren, D. R. Odrowski, S. Olivas, A. Olivo, M. Ono, M. Panknin, S. Paul, L. de los Heros, C. Perez Petrovic, J. Piegsa, A. Pieloth, D. Porrata, R. Posselt, J. Price, P. B. Prikockis, M. Przybylski, G. T. Rawlins, K. Redl, P. Resconi, E. Rhode, W. Ribordy, M. Rizzo, A. Rodrigues, J. P. Roth, P. Rothmaier, F. Rott, C. Roucelle, C. Ruhe, T. Rutledge, D. Ruzybayev, B. Ryckbosch, D. Sander, H. -G. Sarkar, S. Schatto, K. Schlenstedt, S. Schmidt, T. Schneider, D. Schukraft, A. Schultes, A. Schulz, O. Schunck, M. Seckel, D. Semburg, B. Seo, S. H. Sestayo, Y. Seunarine, S. Silvestri, A. Slipak, A. Spiczak, G. M. Spiering, C. Stamatikos, M. Stanev, T. Stephens, G. Stezelberger, T. Stokstad, R. G. Stoyanov, S. Strahler, E. A. Straszheim, T. Sullivan, G. W. Swillens, Q. Taboada, I. Tamburro, A. Tepe, A. Ter-Antonyan, S. Tilav, S. Toale, P. A. Tosi, D. Turcan, D. van Eijndhoven, N. Vandenbroucke, J. Van Overloop, A. van Santen, J. Voigt, B. Walck, C. Waldenmaier, T. Wallraff, M. Walter, M. Wendt, C. Westerhoff, S. Whitehorn, N. Wiebe, K. Wiebusch, C. H. Wikstroem, G. Williams, D. R. Wischnewski, R. Wissing, H. Woschnagg, K. Xu, C. Xu, X. W. Yodh, G. Yoshida, S. Zarzhitsky, P. TI Search for neutrino-induced cascades with five years of AMANDA data SO ASTROPARTICLE PHYSICS LA English DT Article DE Neutrinos; Cascades ID HIGH-ENERGY NEUTRINOS; COSMIC-RAYS; FLUX; NUCLEI AB We report on the search for electromagnetic and hadronic showers ("cascades") produced by a diffuse flux of extraterrestrial neutrinos in the AMANDA neutrino telescope. Data for this analysis were recorded during 1001 days of detector livetime in the years 2000-2004. The observed event rates are consistent with the background expectation from atmospheric neutrinos and muons. An upper limit is derived for the diffuse flux of neutrinos of all flavors assuming a flavor ratio of v(e):v(mu):v(tau) = 1:1:1 at the detection site. The all-flavor flux of neutrinos with an energy spectrum Phi proportional to E-2 is less than 5.0 x 10(-7) GeV s(-1) sr(-1) cm(-2) at a 90% C.L. Here, 90% of the simulated signal would fall within the energy range 40 TeV to 9 PeV. We discuss flux limits in the context of several specific models of extraterrestrial and prompt atmospheric neutrino production. (C) 2010 Published by Elsevier B.V. C1 [Actis, O.; Alba, J. L. Bazo; Benabderrahmane, M. L.; Berdermann, J.; Bernardini, E.; Franke, R.; Kislat, F.; Lauer, R.; Majumdar, P.; Middell, E.; Nahnhauer, R.; Schlenstedt, S.; Spiering, C.; Tosi, D.; Voigt, B.; Walter, M.; Wischnewski, R.] DESY, D-15735 Zeuthen, Germany. [Bissok, M.; Boersma, D. J.; Euler, S.; Geisler, M.; Gluesenkamp, T.; Huelss, J. -P.; Knops, S.; Krings, T.; Laihem, K.; Lennarz, D.; Meures, T.; Paul, L.; Schukraft, A.; Schunck, M.; Wallraff, M.; Wiebusch, C. H.] Rhein Westfal TH Aachen, Inst Phys 3, D-52056 Aachen, Germany. [Williams, D. R.; Zarzhitsky, P.] Univ Alabama, Dept Phys & Astron, Tuscaloosa, AL 35487 USA. [Rawlins, K.] Univ Alaska Anchorage, Dept Phys & Astron, Anchorage, AK 99508 USA. [Fadiran, O.; Japaridze, G. S.] Clark Atlanta Univ, CTSPS, Atlanta, GA 30314 USA. [Taboada, I.; Tepe, A.] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA. [Taboada, I.; Tepe, A.] Georgia Inst Technol, Ctr Relativist Astrophys, Atlanta, GA 30332 USA. [Fazely, A. R.; Gunasingha, R. M.; Imlay, R. L.; Ter-Antonyan, S.; Xu, X. W.] So Univ, Dept Phys, Baton Rouge, LA 70813 USA. [Bay, R.; D'Agostino, M. V.; Filimonov, K.; Gerhardt, L.; Kiryluk, J.; Klein, S. R.; Porrata, R.; Price, P. B.; Vandenbroucke, J.; Woschnagg, K.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Beattie, K.; Buitirik, S.; Gerhardt, L.; Goldschmidt, A.; Joseph, J. M.; Kiryluk, J.; Klein, S. R.; Matis, H. S.; Nygren, D. R.; Przybylski, G. T.; Stezelberger, T.; Stokstad, R. G.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Franckowiak, A.; Homeier, A.; Kemming, N.; Kolanoski, H.; Lehmann, R.; Panknin, S.; van Santen, J.; Waldenmaier, T.] Humboldt Univ, Inst Phys, D-12489 Berlin, Germany. [Becker, J. K.; Dreyer, J.; Olivo, M.] Ruhr Univ Bochum, Fak Phys & Astron, D-44780 Bochum, Germany. [Boeser, S.; Kowalski, M.] Univ Bonn, Inst Phys, D-53115 Bonn, Germany. [Seunarine, S.] Univ W Indies, Dept Phys, BB-11000 Bridgetown, Barbados. [Bechet, S.; Bertrand, D.; Labare, M.; Petrovic, J.; Swillens, Q.] Univ Libre Brussels, Fac Sci, B-1050 Brussels, Belgium. [De Clercq, C.; Depaepe, O.; Hubert, D.; Rizzo, A.; Strahler, E. A.; van Eijndhoven, N.] Vrije Univ Brussel, Dienst ELEM, B-1050 Brussels, Belgium. [Ishihara, A.; Mase, K.; Ono, M.; Yoshida, S.] Chiba Univ, Dept Phys, Chiba 2638522, Japan. [Adams, J.; Gross, A.; Han, K.; Hickford, S.] Univ Canterbury, Dept Phys & Astron, Christchurch 1, New Zealand. [Berley, D.; Blaufuss, E.; Christy, B.; Ehrlich, R.; Ellsworth, R. W.; Goodman, J. A.; Hoffman, K. D.; Huelsnitz, W.; Meagher, K.; Olivas, A.; Redl, P.; Roth, P.; Schmidt, T.; Straszheim, T.; Sullivan, G. W.; Turcan, D.; Wissing, H.] Univ Maryland, Dept Phys, College Pk, MD 20742 USA. [Beatty, J. J.; Davis, J. C.; Kuehn, K.; Rott, C.; Stamatikos, M.] Ohio State Univ, Dept Phys, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Beatty, J. J.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Clevermann, F.; Koehne, J. -H.; Milke, N.; Pieloth, D.; Rhode, W.; Ruhe, T.] TU Dortmund Univ, Dept Phys, D-44221 Dortmund, Germany. [Grant, D.] Univ Alberta, Dept Phys, Edmonton, AB T6G 2G7, Canada. [Abdou, Y.; Carson, M.; Descamps, F.; de Vries-Uiterweerd, G.; Feusels, T.; Ryckbosch, D.; Van Overloop, A.] Univ Ghent, Dept Subatom & Radiat Phys, B-9000 Ghent, Belgium. [Colnard, C.; Gross, A.; Odrowski, S.; Resconi, E.; Roucelle, C.; Schulz, O.; Sestayo, Y.] Max Planck Inst Kernphys, D-69177 Heidelberg, Germany. [Barwick, S. W.; Nam, J. W.; Silvestri, A.; Yodh, G.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Cohen, S.; Demiroers, L.; Ribordy, M.] Ecole Polytech Fed Lausanne, High Energy Phys Lab, CH-1015 Lausanne, Switzerland. [Besson, D. Z.; Kenny, P.] Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. [Gallagher, J.] Univ Wisconsin, Dept Astron, Madison, WI 53706 USA. [Abbasi, R.; Aguilar, J. A.; Andeen, K.; Baker, M.; Berghaus, P.; Braun, J.; Chirkin, D.; Desiati, P.; Diaz-Velez, J. C.; Dumm, J. P.; Eisch, J.; Ganugapati, R.; Gladstone, L.; Grullon, S.; Halzen, F.; Hanson, K.; Hill, G. C.; Hoshina, K.; Jacobsen, J.; Kappes, A.; Karle, A.; Kelley, J. L.; Krasberg, M.; Landsman, H.; Maruyama, R.; Merck, M.; Montaruli, T.; Morse, R.; Rodrigues, J. P.; Schneider, D.; Wendt, C.; Westerhoff, S.; Whitehorn, N.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Griesel, T.; Koepke, L.; Kowarik, T.; Kroll, G.; Luenemann, J.; Piegsa, A.; Rothmaier, F.; Sander, H. -G.; Schatto, K.; Wiebe, K.] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. [Herquet, P.; Kohnen, G.] Univ Mons, B-7000 Mons, Belgium. [Bai, X.; Clem, J.; Evenson, P. A.; Gaisser, T. K.; Hussain, S.; Kuwabara, T.; Niessen, P.; Ruzybayev, B.; Seckel, D.; Stanev, T.; Stoyanov, S.; Tilav, S.; Xu, C.] Univ Delaware, Dept Phys & Astron, Bartol Res Inst, Newark, DE 19716 USA. [Ahlers, M.; Sarkar, S.] Univ Oxford, Dept Phys, Oxford OX1 3NP, England. [Abu-Zayyad, T.; Madsen, J.; Spiczak, G. M.; Tamburro, A.] Univ Wisconsin, Dept Phys, River Falls, WI 54022 USA. [Bohm, C.; Danninger, M.; Finley, C.; Hulth, P. O.; Hultqvist, K.; Johansson, H.; Seo, S. H.; Walck, C.; Wikstroem, G.] Stockholm Univ, Dept Phys, Oskar Klein Ctr, SE-10691 Stockholm, Sweden. [Cowen, D. F.; Meszaros, P.; Movit, S. M.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Bradley, L.; Cowen, D. F.; DeYoung, T.; Foerster, M. M.; Fox, B. D.; Ha, C.; Koskinen, D. J.; Lafebre, S.; Meszaros, P.; Prikockis, M.; Rutledge, D.; Slipak, A.; Stephens, G.; Toale, P. A.] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. [Botner, O.; Engdegard, O.; Hallgren, A.; Miller, J.; Olivo, M.; de los Heros, C. Perez] Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden. [Duvoort, M. R.] Univ Utrecht, SRON, Dept Phys & Astron, NL-3584 CC Utrecht, Netherlands. [Auffenberg, J.; Becker, K. -H.; Gurtner, M.; Helbing, K.; Kampert, K. -H.; Karg, T.; Matusik, M.; Naumann, U.; Posselt, J.; Schultes, A.; Semburg, B.] Univ Wuppertal, Dept Phys, D-42119 Wuppertal, Germany. [Kappes, A.] Univ Erlangen Nurnberg, D-91058 Erlangen, Germany. RP Walter, M (reprint author), DESY, D-15735 Zeuthen, Germany. EM michael.walter@desy.de RI Aguilar Sanchez, Juan Antonio/H-4467-2015; Maruyama, Reina/A-1064-2013; Sarkar, Subir/G-5978-2011; Beatty, James/D-9310-2011; Wiebusch, Christopher/G-6490-2012; Kowalski, Marek/G-5546-2012; Tamburro, Alessio/A-5703-2013; Botner, Olga/A-9110-2013; Hallgren, Allan/A-8963-2013; Tjus, Julia/G-8145-2012; Auffenberg, Jan/D-3954-2014; Koskinen, David/G-3236-2014 OI Ter-Antonyan, Samvel/0000-0002-5788-1369; Schukraft, Anne/0000-0002-9112-5479; Perez de los Heros, Carlos/0000-0002-2084-5866; Buitink, Stijn/0000-0002-6177-497X; Carson, Michael/0000-0003-0400-7819; Hubert, Daan/0000-0002-4365-865X; Benabderrahmane, Mohamed Lotfi/0000-0003-4410-5886; Aguilar Sanchez, Juan Antonio/0000-0003-2252-9514; Maruyama, Reina/0000-0003-2794-512X; Sarkar, Subir/0000-0002-3542-858X; Beatty, James/0000-0003-0481-4952; Wiebusch, Christopher/0000-0002-6418-3008; Auffenberg, Jan/0000-0002-1185-9094; Actis, Oxana/0000-0001-8851-3983; Koskinen, David/0000-0002-0514-5917 FU US National Science Foundation-Office of Polar Program; US National Science Foundation-Physics Division; University of Wisconsin Alumni Research Foundation; US Department of Energy; National Energy Research Scientific Computing Center; Louisiana Optical Network Initiative (LONI); Swedish Research Council; Swedish Polar Research Secretariat; Knut and Alice Wallenberg Foundation, Sweden; German Ministry for Education and Research (BMBF); Deutsche Forschungsgemeinschaft (DFG); Research Department of Plasmas with Complex Interactions (Bochum), Germany; FNRS-FWO; FWO Odysseus programme; Flanders Institute to encourage scientific and technological research in industry (IWT); Belgian Federal Science Policy Office (Belspo); Marsden Fund, New Zealand; SNF (Switzerland); EU; Capes Foundation; Ministry of Education of Brazil FX We acknowledge the support from the following agencies: US National Science Foundation-Office of Polar Program, US National Science Foundation-Physics Division, University of Wisconsin Alumni Research Foundation, US Department of Energy, and National Energy Research Scientific Computing Center, the Louisiana Optical Network Initiative (LONI) grid computing resources; Swedish Research Council, Swedish Polar Research Secretariat, and Knut and Alice Wallenberg Foundation, Sweden; German Ministry for Education and Research (BMBF), Deutsche Forschungsgemeinschaft (DFG), Research Department of Plasmas with Complex Interactions (Bochum), Germany; Fund for Scientific Research (FNRS-FWO), FWO Odysseus programme, Flanders Institute to encourage scientific and technological research in industry (IWT), Belgian Federal Science Policy Office (Belspo); Marsden Fund, New Zealand; M. Ribordy acknowledges the support of the SNF (Switzerland); A. Kappes and A. Grog acknowledge support by the EU Marie Curie OIF Program; J. P. Rodrigues acknowledge support by the Capes Foundation, Ministry of Education of Brazil. NR 43 TC 14 Z9 14 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-6505 J9 ASTROPART PHYS JI Astropart Phys. PD JAN PY 2011 VL 34 IS 6 BP 420 EP 430 DI 10.1016/j.astropartphys.2010.10.007 PG 11 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 717SX UT WOS:000287068800012 ER PT J AU Abdo, AA Ackermann, M Ajello, M Baldini, L Ballet, J Barbiellini, G Bastieri, D Bechtol, K Bellazzini, R Berenji, B Blandford, RD Bonamente, E Borgland, AW Bouvier, A Bregeon, J Brez, A Brigida, M Bruel, P Buehler, R Buson, S Caliandro, GA Cameron, RA Caraveo, PA Carrigan, S Casandjian, JM Cavazzuti, E Cecchi, C Celik, O Charles, E Chekhtman, A Cheung, CC Chiang, J Ciprini, S Claus, R Cohen-Tanugi, J Conrad, J Costamante, L Cutini, S Davis, DS Dermer, CD de Palma, F Digel, SW Silva, EDE Drell, PS Dubois, R Dumora, D Favuzzi, C Fegan, SJ Fortin, P Frailis, M Fuhrmann, L Fukazawa, Y Funk, S Fusco, P Giroletti, M Glanzman, T Godfrey, G Grenier, IA Grove, JE Guillemot, L Guiriec, S Hadasch, D Hayashida, M Hays, E Horan, D Hughes, RE Itoh, R Johannesson, G Johnson, AS Johnson, TJ Johnson, WN Kamae, T Katagiri, H Kataoka, J Knodlseder, J Kuss, M Lande, J Latronico, L Lee, SH Longo, F Loparco, F Lott, B Lovellette, MN Lubrano, P Makeev, A Mazziotta, MN McEnery, JE Mehault, J Michelson, PF Mizuno, T Moiseev, AA Monte, C Monzani, ME Morselli, A Moskalenko, IV Murgia, S Nakamori, T Naumann-Godo, M Nestoras, I Nolan, PL Norris, JP Nuss, E Ohsugi, T Okumura, A Omodei, N Orlando, E Ormes, JF Ozaki, M Paneque, D Panetta, JH Parent, D Pelassa, V Pepe, M Pesce-Rollins, M Piron, F Porter, TA Raino, S Rando, R Razzano, M Reimer, A Reimer, O Reyes, LC Ripken, J Ritz, S Romani, RW Roth, M Sadrozinski, HFW Sanchez, D Sander, A Scargle, JD Sgro, C Shaw, MS Smith, PD Spandre, G Spinelli, P Strickman, MS Suson, DJ Takahashi, H Tanaka, T Thayer, JB Thayer, JG Thompson, DJ Tibaldo, L Torres, DF Tosti, G Tramacere, A Usher, TL Vandenbroucke, J Vasileiou, V Vilchez, N Vitale, V Waite, AP Wang, P Winer, BL Wood, KS Yang, Z Ylinen, T Ziegler, M Acciari, VA Aliu, E Arlen, T Aune, T Beilicke, M Benbow, W Bottcher, M Boltuch, D Bradbury, SM Buckley, JH Bugaev, V Byrum, K Cannon, A Cesarini, A Christiansen, JL Ciupik, L Cui, W Perez, ID Dickherber, R Errando, M Falcone, A Finley, JP Finnegan, G Fortson, L Furniss, A Galante, N Gall, D Gillanders, GH Godambe, S Grube, J Guenette, R Gyuk, G Hanna, D Holder, J Hui, CM Humensky, TB Imran, A Kaaret, P Karlsson, N Kertzman, M Kieda, D Konopelko, A Krawczynski, H Krennrich, F Lang, MJ LeBohec, S Maier, G McArthur, S McCann, A McCutcheon, M Moriarty, P Mukherjee, R Ong, RA Otte, AN Pandel, D Perkins, JS Pichel, A Pohl, M Quinn, J Ragan, K Reynolds, PT Roache, E Rose, HJ Schroedter, M Sembroski, GH Senturk, GD Smith, AW Steele, D Swordy, SP Tesic, G Theiling, M Thibadeau, S Varlotta, A Vassiliev, VV Vincent, S Wakely, SP Ward, JE Weekes, TC Weinstein, A Weisgarber, T Williams, DA Wissel, S Wood, M Villata, M Raiteri, CM Gurwell, MA Larionov, VM Kurtanidze, OM Aller, MF Lahteenmaki, A Chen, WP Berduygin, A Agudo, I Aller, HD Arkharov, AA Bach, U Bachev, R Beltrame, P Benitez, E Buemi, CS Dashti, J Calcidese, P Capezzali, D Carosati, D Da Rio, D Di Paola, A Diltz, C Dolci, M Dultzin, D Forne, E Gomez, JL Hagen-Thorn, VA Halkola, A Heidt, J Hiriart, D Hovatta, T Hsiao, HY Jorstad, SG Kimeridze, GN Konstantinova, TS Kopatskaya, EN Koptelova, E Leto, P Ligustri, R Lindfors, E Lopez, JM Marscher, AP Mommert, M Mujica, R Nikolashvili, MG Nilsson, K Palma, N Pasanen, M Roca-Sogorb, M Mommert, M Mujica, R Nikolashvili, MG Nilsson, K Palma, N Pasanen, M Roca-Sogorb, M Ros, JA Roustazadeh, P Sadun, AC Saino, J Sigua, LA Sillanaa, A Sorcia, M Takalo, LO Tornikoski, M Trigilio, C Turchetti, R Umana, G Belloni, T Blake, CH Bloom, JS Angelakis, E Fumagalli, M Hauser, M Prochaska, JX Riquelme, D Sievers, A Starr, DL Tagliaferri, G Ungerechts, H Wagner, S Zensus, JA AF Abdo, A. A. Ackermann, M. Ajello, M. Baldini, L. Ballet, J. Barbiellini, G. Bastieri, D. Bechtol, K. Bellazzini, R. Berenji, B. Blandford, R. D. Bonamente, E. Borgland, A. W. Bouvier, A. Bregeon, J. Brez, A. Brigida, M. Bruel, P. Buehler, R. Buson, S. Caliandro, G. A. Cameron, R. A. Caraveo, P. A. Carrigan, S. Casandjian, J. M. Cavazzuti, E. Cecchi, C. Celik, Oe. Charles, E. Chekhtman, A. Cheung, C. C. Chiang, J. Ciprini, S. Claus, R. Cohen-Tanugi, J. Conrad, J. Costamante, L. Cutini, S. Davis, D. S. Dermer, C. D. de Palma, F. Digel, S. W. do Couto e Silva, E. Drell, P. S. Dubois, R. Dumora, D. Favuzzi, C. Fegan, S. J. Fortin, P. Frailis, M. Fuhrmann, L. Fukazawa, Y. Funk, S. Fusco, P. Giroletti, M. Glanzman, T. Godfrey, G. Grenier, I. A. Grove, J. E. Guillemot, L. Guiriec, S. Hadasch, D. Hayashida, M. Hays, E. Horan, D. Hughes, R. E. Itoh, R. Johannesson, G. Johnson, A. S. Johnson, T. J. Johnson, W. N. Kamae, T. Katagiri, H. Kataoka, J. Knoedlseder, J. Kuss, M. Lande, J. Latronico, L. Lee, S. -H. Longo, F. Loparco, F. Lott, B. Lovellette, M. N. Lubrano, P. Makeev, A. Mazziotta, M. N. McEnery, J. E. Mehault, J. Michelson, P. F. Mizuno, T. Moiseev, A. A. Monte, C. Monzani, M. E. Morselli, A. Moskalenko, I. V. Murgia, S. Nakamori, T. Naumann-Godo, M. Nestoras, I. Nolan, P. L. Norris, J. P. Nuss, E. Ohsugi, T. Okumura, A. Omodei, N. Orlando, E. Ormes, J. F. Ozaki, M. Paneque, D. Panetta, J. H. Parent, D. Pelassa, V. Pepe, M. Pesce-Rollins, M. Piron, F. Porter, T. A. Raino, S. Rando, R. Razzano, M. Reimer, A. Reimer, O. Reyes, L. C. Ripken, J. Ritz, S. Romani, R. W. Roth, M. Sadrozinski, H. F. -W. Sanchez, D. Sander, A. Scargle, J. D. Sgro, C. Shaw, M. S. Smith, P. D. Spandre, G. Spinelli, P. Strickman, M. S. Suson, D. J. Takahashi, H. Tanaka, T. Thayer, J. B. Thayer, J. G. Thompson, D. J. Tibaldo, L. Torres, D. F. Tosti, G. Tramacere, A. Usher, T. L. Vandenbroucke, J. Vasileiou, V. Vilchez, N. Vitale, V. Waite, A. P. Wang, P. Winer, B. L. Wood, K. S. Yang, Z. Ylinen, T. Ziegler, M. Acciari, V. A. Aliu, E. Arlen, T. Aune, T. Beilicke, M. Benbow, W. Boettcher, M. Boltuch, D. Bradbury, S. M. Buckley, J. H. Bugaev, V. Byrum, K. Cannon, A. Cesarini, A. Christiansen, J. L. Ciupik, L. Cui, W. de la Calle Perez, I. Dickherber, R. Errando, M. Falcone, A. Finley, J. P. Finnegan, G. Fortson, L. Furniss, A. Galante, N. Gall, D. Gillanders, G. H. Godambe, S. Grube, J. Guenette, R. Gyuk, G. Hanna, D. Holder, J. Hui, C. M. Humensky, T. B. Imran, A. Kaaret, P. Karlsson, N. Kertzman, M. Kieda, D. Konopelko, A. Krawczynski, H. Krennrich, F. Lang, M. J. LeBohec, S. Maier, G. McArthur, S. McCann, A. McCutcheon, M. Moriarty, P. Mukherjee, R. Ong, R. A. Otte, A. N. Pandel, D. Perkins, J. S. Pichel, A. Pohl, M. Quinn, J. Ragan, K. Reynolds, P. T. Roache, E. Rose, H. J. Schroedter, M. Sembroski, G. H. Senturk, G. Demet Smith, A. W. Steele, D. Swordy, S. P. Tesic, G. Theiling, M. Thibadeau, S. Varlotta, A. Vassiliev, V. V. Vincent, S. Wakely, S. P. Ward, J. E. Weekes, T. C. Weinstein, A. Weisgarber, T. Williams, D. A. Wissel, S. Wood, M. Villata, M. Raiteri, C. M. Gurwell, M. A. Larionov, V. M. Kurtanidze, O. M. Aller, M. F. Lahteenmaki, A. Chen, W. P. Berduygin, A. Agudo, I. Aller, H. D. Arkharov, A. A. Bach, U. Bachev, R. Beltrame, P. Benitez, E. Buemi, C. S. Dashti, J. Calcidese, P. Capezzali, D. Carosati, D. Da Rio, D. Di Paola, A. Diltz, C. Dolci, M. Dultzin, D. Forne, E. Gomez, J. L. Hagen-Thorn, V. A. Halkola, A. Heidt, J. Hiriart, D. Hovatta, T. Hsiao, H. -Y. Jorstad, S. G. Kimeridze, G. N. Konstantinova, T. S. Kopatskaya, E. N. Koptelova, E. Leto, P. Ligustri, R. Lindfors, E. Lopez, J. M. Marscher, A. P. Mommert, M. Mujica, R. Nikolashvili, M. G. Nilsson, K. Palma, N. Pasanen, M. Roca-Sogorb, M. Mommert, M. Mujica, R. Nikolashvili, M. G. Nilsson, K. Palma, N. Pasanen, M. Roca-Sogorb, M. Ros, J. A. Roustazadeh, P. Sadun, A. C. Saino, J. Sigua, L. A. Sillanaa, A. Sorcia, M. Takalo, L. O. Tornikoski, M. Trigilio, C. Turchetti, R. Umana, G. Belloni, T. Blake, C. H. Bloom, J. S. Angelakis, E. Fumagalli, M. Hauser, M. Prochaska, J. X. Riquelme, D. Sievers, A. Starr, D. L. Tagliaferri, G. Ungerechts, H. Wagner, S. Zensus, J. A. CA Fermi-Lat Collaboration VERITAS Collaboration GASP-WEBT Consortium TI MULTI-WAVELENGTH OBSERVATIONS OF THE FLARING GAMMA-RAY BLAZAR 3C 66A IN 2008 OCTOBER SO ASTROPHYSICAL JOURNAL LA English DT Article DE BL Lacertae objects: individual (3C 66A); galaxies: active; gamma rays: galaxies ID BL LACERTAE OBJECTS; ACTIVE GALACTIC NUCLEI; LARGE-AREA TELESCOPE; SPECTRAL ENERGY-DISTRIBUTION; EPOCH VLBI SURVEY; BRIGHT BLAZARS; RADIO-SOURCES; TEV BLAZARS; BACKGROUND-RADIATION; VERITAS OBSERVATIONS AB The BL Lacertae object 3C 66A was detected in a flaring state by the Fermi Large Area Telescope (LAT) and VERITAS in 2008 October. In addition to these gamma-ray observations, F-GAMMA, GASP-WEBT, PAIRITEL, MDM, ATOM, Swift, and Chandra provided radio to X-ray coverage. The available light curves show variability and, in particular, correlated flares are observed in the optical and Fermi-LAT gamma-ray band. The resulting spectral energy distribution can be well fitted using standard leptonic models with and without an external radiation field for inverse Compton scattering. It is found, however, that only the model with an external radiation field can accommodate the intra-night variability observed at optical wavelengths. C1 [Abdo, A. A.; Chekhtman, A.; Cheung, C. C.; Dermer, C. D.; Grove, J. E.; Johnson, W. N.; Lovellette, M. N.; Makeev, A.; Parent, D.; Strickman, M. S.; Wood, K. S.] USN, Res Lab, Div Space Sci, Washington, DC 20375 USA. [Abdo, A. A.; Cheung, C. C.] Natl Acad Sci, Natl Res Council Res Associate, Washington, DC 20001 USA. [Ackermann, M.; Ajello, M.; Bechtol, K.; Berenji, B.; Blandford, R. D.; Borgland, A. W.; Bouvier, A.; Buehler, R.; Cameron, R. A.; Charles, E.; Chiang, J.; Claus, R.; Costamante, L.; Digel, S. W.; do Couto e Silva, E.; Drell, P. S.; Dubois, R.; Funk, S.; Glanzman, T.; Godfrey, G.; Hayashida, M.; Johannesson, G.; Johnson, A. S.; Kamae, T.; Lande, J.; Lee, S. -H.; Michelson, P. F.; Monzani, M. E.; Moskalenko, I. V.; Murgia, S.; Nolan, P. L.; Omodei, N.; Paneque, D.; Panetta, J. H.; Porter, T. A.; Reimer, A.; Reimer, O.; Romani, R. W.; Shaw, M. S.; Tanaka, T.; Thayer, J. B.; Thayer, J. G.; Tramacere, A.; Usher, T. L.; Vandenbroucke, J.; Waite, A. P.; Wang, P.] Stanford Univ, Dept Phys, Kavli Inst Particle Astrophys & Cosmol, WW Hansen Expt Phys Lab, Stanford, CA 94305 USA. [Ackermann, M.; Ajello, M.; Bechtol, K.; Berenji, B.; Blandford, R. D.; Borgland, A. W.; Bouvier, A.; Buehler, R.; Cameron, R. A.; Charles, E.; Chiang, J.; Claus, R.; Costamante, L.; Digel, S. W.; do Couto e Silva, E.; Drell, P. S.; Dubois, R.; Funk, S.; Glanzman, T.; Godfrey, G.; Hayashida, M.; Johannesson, G.; Johnson, A. S.; Kamae, T.; Lande, J.; Lee, S. -H.; Michelson, P. F.; Monzani, M. E.; Moskalenko, I. V.; Murgia, S.; Nolan, P. L.; Omodei, N.; Paneque, D.; Panetta, J. H.; Porter, T. A.; Reimer, A.; Reimer, O.; Romani, R. W.; Shaw, M. S.; Tanaka, T.; Thayer, J. B.; Thayer, J. G.; Tramacere, A.; Usher, T. L.; Vandenbroucke, J.; Waite, A. P.; Wang, P.] Stanford Univ, SLAC Natl Accelerator Lab, Stanford, CA 94305 USA. [Baldini, L.; Bellazzini, R.; Bregeon, J.; Brez, A.; Kuss, M.; Latronico, L.; Pesce-Rollins, M.; Razzano, M.; Sgro, C.; Spandre, G.] Ist Nazl Fis Nucl, Sez Pisa, I-56127 Pisa, Italy. [Ballet, J.; Casandjian, J. M.; Grenier, I. A.; Naumann-Godo, M.; Tibaldo, L.] Univ Paris Diderot, CNRS, IRFU, CEA,Lab AIM,CEA Saclay, F-91191 Gif Sur Yvette, France. [Barbiellini, G.; Longo, F.] Ist Nazl Fis Nucl, Sez Trieste, I-34127 Trieste, Italy. [Barbiellini, G.; Longo, F.] Univ Trieste, Dipartimento Fis, I-34127 Trieste, Italy. [Bastieri, D.; Buson, S.; Rando, R.; Tibaldo, L.] Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy. 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[Imran, A.; Krennrich, F.; Pohl, M.; Schroedter, M.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Kaaret, P.; Pandel, D.] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. [Kertzman, M.] Depauw Univ, Dept Phys & Astron, Greencastle, IN 46135 USA. [Konopelko, A.] Pittsburg State Univ, Dept Phys, Pittsburg, KS 66762 USA. [Moriarty, P.] Galway Mayo Inst Technol, Dept Life & Phys Sci, Galway, Ireland. [Pichel, A.] Inst Astron & Fis Espacio, RA-1428 Buenos Aires, DF, Argentina. [Reynolds, P. T.] Cork Inst Technol, Dept Appl Phys & Instrumentat, Cork, Ireland. [Senturk, G. Demet] Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA. [Villata, M.; Raiteri, C. M.] Osserv Astron Torino, INAF, Turin, Italy. [Gurwell, M. A.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA USA. [Larionov, V. M.; Hagen-Thorn, V. A.; Konstantinova, T. S.; Kopatskaya, E. N.] St Petersburg State Univ, Astron Inst, St Petersburg, Russia. [Larionov, V. M.; Hagen-Thorn, V. A.] Isaac Newton Inst Chile, St Petersburg Branch, St Petersburg, Russia. [Kurtanidze, O. M.; Kimeridze, G. N.; Nikolashvili, M. G.; Sigua, L. A.] Abastumani Observ, GE-0301 Mt Kanobili, Abastumani, Rep of Georgia. [Aller, M. F.; Aller, H. D.] Univ Michigan, Dept Astron, Ann Arbor, MI 48109 USA. [Lahteenmaki, A.; Hovatta, T.; Tornikoski, M.] Aalto Univ, Metsahovi Radio Observ, Helsinki, Finland. [Chen, W. P.; Hsiao, H. -Y.; Koptelova, E.] Natl Cent Univ, Inst Astron, Chungli, Taiwan. [Berduygin, A.; Halkola, A.; Lindfors, E.; Pasanen, M.; Pasanen, M.; Saino, J.; Sillanaa, A.; Takalo, L. O.] Univ Turku, Dept Phys & Astron, Tuorla Observ, SF-20500 Turku, Finland. [Agudo, I.; Gomez, J. L.; Roca-Sogorb, M.; Roca-Sogorb, M.] CSIC, Inst Astrofis Andalucia, Madrid, Spain. [Bachev, R.] Bulgarian Acad Sci, Inst Astron, BG-1040 Sofia, Bulgaria. [Benitez, E.; Dultzin, D.; Sorcia, M.] Univ Nacl Autonoma Mexico, Inst Astron, Mexico City 04510, DF, Mexico. [Buemi, C. S.; Leto, P.; Trigilio, C.; Umana, G.] Osserv Astrofis Catania, INAF, Catania, Italy. [Dashti, J.; Diltz, C.; Palma, N.; Roustazadeh, P.] Ohio Univ, Dept Phys & Astron, Inst Astrophys, Athens, OH 45701 USA. [Di Paola, A.] Osserv Astron Roma, INAF, Rome, Italy. [Heidt, J.; Mommert, M.] Landessternwarte Heidelberg, ZAH, D-69117 Heidelberg, Germany. [Hiriart, D.; Lopez, J. M.] Univ Nacl Autonoma Mexico, Inst Astron, Ensenada 22800, Baja California, Mexico. [Jorstad, S. G.; Marscher, A. P.] Boston Univ, Inst Astrophys Res, Boston, MA 02215 USA. Inst Planetary Res, DLR, D-12489 Berlin, Germany. [Mujica, R.] INAOE, Puebla 72000, Mexico. [Nilsson, K.] Univ Turku, Finnish Ctr Astron ESO FINCA, FI-21500 Piikkio, Finland. [Sadun, A. C.] Univ Colorado Denver, Dept Phys, Denver, CO USA. [Belloni, T.; Tagliaferri, G.] INAF Osservatorio Astron Brera, I-23807 Merate, Italy. [Blake, C. H.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Bloom, J. S.; Starr, D. L.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Angelakis, E.; Zensus, J. A.] Max Planck Inst Radioastron, D-53121 Bonn, Germany. [Fumagalli, M.; Prochaska, J. X.] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Hauser, M.; Wagner, S.] Heidelberg Univ, Landessternwarte, D-69117 Heidelberg, Germany. [Prochaska, J. X.] Univ Calif Santa Cruz, Univ Calif Observ, Lick Observ, Santa Cruz, CA 95064 USA. [Riquelme, D.; Sievers, A.; Ungerechts, H.] IRAM, E-18012 Granada, Spain. RP Abdo, AA (reprint author), USN, Res Lab, Div Space Sci, Washington, DC 20375 USA. EM lreyes@kicp.uchicago.edu RI Fumagalli, Michele/K-9510-2015; Johnson, Neil/G-3309-2014; Kurtanidze, Omar/J-6237-2014; Funk, Stefan/B-7629-2015; Agudo, Ivan/G-1701-2015; Jorstad, Svetlana/H-6913-2013; Grishina, Tatiana/H-6873-2013; Hagen-Thorn, Vladimir/H-3983-2013; Johannesson, Gudlaugur/O-8741-2015; Loparco, Francesco/O-8847-2015; Moskalenko, Igor/A-1301-2007; Mazziotta, Mario /O-8867-2015; Sgro, Carmelo/K-3395-2016; Torres, Diego/O-9422-2016; Orlando, E/R-5594-2016; Thompson, David/D-2939-2012; McEnery, Julie/D-6612-2012; Baldini, Luca/E-5396-2012; lubrano, pasquale/F-7269-2012; Morselli, Aldo/G-6769-2011; Kuss, Michael/H-8959-2012; Reimer, Olaf/A-3117-2013; Tosti, Gino/E-9976-2013; Larionov, Valeri/H-1349-2013; Kopatskaya, Evgenia/H-4720-2013; Ozaki, Masanobu/K-1165-2013; Rando, Riccardo/M-7179-2013; Lahteenmaki, Anne/L-5987-2013; Hays, Elizabeth/D-3257-2012; OI Fumagalli, Michele/0000-0001-6676-3842; Dolci, Mauro/0000-0001-8000-5642; Buemi, Carla Simona/0000-0002-7288-4613; Villata, Massimo/0000-0003-1743-6946; Umana, Grazia/0000-0002-6972-8388; giommi, paolo/0000-0002-2265-5003; Di Paola, Andrea/0000-0002-2189-8644; Funk, Stefan/0000-0002-2012-0080; Agudo, Ivan/0000-0002-3777-6182; Jorstad, Svetlana/0000-0001-9522-5453; Grishina, Tatiana/0000-0002-3953-6676; Hagen-Thorn, Vladimir/0000-0002-6431-8590; Johannesson, Gudlaugur/0000-0003-1458-7036; Loparco, Francesco/0000-0002-1173-5673; Moskalenko, Igor/0000-0001-6141-458X; Mazziotta, Mario /0000-0001-9325-4672; Torres, Diego/0000-0002-1522-9065; Thompson, David/0000-0001-5217-9135; lubrano, pasquale/0000-0003-0221-4806; Morselli, Aldo/0000-0002-7704-9553; Reimer, Olaf/0000-0001-6953-1385; Larionov, Valeri/0000-0002-4640-4356; Kopatskaya, Evgenia/0000-0001-9518-337X; Cui, Wei/0000-0002-6324-5772; Frailis, Marco/0000-0002-7400-2135; Cesarini, Andrea/0000-0002-8611-8610; Caraveo, Patrizia/0000-0003-2478-8018; Leto, Paolo/0000-0003-4864-2806; Sgro', Carmelo/0000-0001-5676-6214; Rando, Riccardo/0000-0001-6992-818X; Ward, John E/0000-0003-1973-0794; Raiteri, Claudia Maria/0000-0003-1784-2784; Bastieri, Denis/0000-0002-6954-8862; Omodei, Nicola/0000-0002-5448-7577; Pesce-Rollins, Melissa/0000-0003-1790-8018; Giroletti, Marcello/0000-0002-8657-8852; Pandel, Dirk/0000-0003-2085-5586; Lang, Mark/0000-0003-4641-4201; Gargano, Fabio/0000-0002-5055-6395; Angelakis, Emmanouil/0000-0001-7327-5441; Cutini, Sara/0000-0002-1271-2924; Berenji, Bijan/0000-0002-4551-772X; Gasparrini, Dario/0000-0002-5064-9495; Tramacere, Andrea/0000-0002-8186-3793; Tagliaferri, Gianpiero/0000-0003-0121-0723; Baldini, Luca/0000-0002-9785-7726 FU NASA [NNX08AU13G, NNG06GH50G, GO8-9100X]; Harvard University; Academy of Finland; Georgian National Science Foundation [GNSF/ST08/4-404]; Russian RFBR foundation [09-02-00092]; Kavli Institute for Cosmological Physics at the University of Chicago [NSF PHY-0114422, NSF PHY-0551142]; Fermilab; Kavli Institute for Cosmological Physics; University of Chicago FX The VERITAS collaboration also acknowledges the excel-lent work of the technical support staff at the FLWO and the collaborating institutions in the construction and operation of the instrument, as well as support from the NASA/Swift guest investigator program (grant NNX08AU13G) for the Swift observations.; PAIRITEL is operated by the Smithsonian Astrophysical Observatory (SAO) and was made possible by a grant from the Harvard University Milton Fund, a camera loan from the University of Virginia, and continued support of the SAO and UC Berkeley. The PAIRITEL project is further supported by NASA/Swift Guest Investigator grant NNG06GH50G. This research is partly based on observations with the 100 m telescope of the MPIfR (Max-Planck-Institut fur Radioastronomie) at Effelsberg and has also made use of observations with the IRAM 30 m telescope. The Metsahovi team acknowledges the support from the Academy of Finland. The Abastumani Observatory team acknowledges financial support by the Georgian National Science Foundation through grant GNSF/ST08/4-404. The St. Petersburg University team acknowledges support from Russian RFBR foundation via grant 09-02-00092. AZT-24 observations are made within an agreement between Pulkovo, Rome, and Teramo observatories.; L. C. Reyes acknowledges the support by the Kavli Institute for Cosmological Physics at the University of Chicago through grants NSF PHY-0114422 and NSF PHY-0551142 and an endowment from the Kavli Foundation and its founder Fred Kavli. M. Bottcher acknowledges support from NASA through Chandra Guest Investigator Grant GO8-9100X. Some of the VERITAS simulations used in this work have been performed on the joint Fermilab-KICP supercomputing cluster, supported by grants from Fermilab, the Kavli Institute for Cosmological Physics, and the University of Chicago. NR 74 TC 44 Z9 44 U1 5 U2 21 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD JAN PY 2011 VL 726 IS 1 AR 43 DI 10.1088/0004-637X/726/1/43 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 695ZI UT WOS:000285411300043 ER PT J AU Mainzer, A Cushing, MC Skrutskie, M Gelino, CR Kirkpatrick, JD Jarrett, T Masci, F Marley, MS Saumon, D Wright, E Beaton, R Dietrich, M Eisenhardt, P Garnavich, P Kuhn, O Leisawitz, D Marsh, K McLean, I Padgett, D Rueff, K AF Mainzer, A. Cushing, Michael C. Skrutskie, M. Gelino, C. R. Kirkpatrick, J. Davy Jarrett, T. Masci, F. Marley, Mark S. Saumon, D. Wright, E. Beaton, R. Dietrich, M. Eisenhardt, P. Garnavich, P. Kuhn, O. Leisawitz, D. Marsh, K. McLean, I. Padgett, D. Rueff, K. TI THE FIRST ULTRA-COOL BROWN DWARF DISCOVERED BY THE WIDE-FIELD INFRARED SURVEY EXPLORER SO ASTROPHYSICAL JOURNAL LA English DT Article DE brown dwarfs; infrared: stars; solar neighborhood; stars: late-type; stars: low-mass ID SUBSTELLAR MASS FUNCTION; DIGITAL SKY SURVEY; T-DWARFS; TELESCOPE-FACILITY; MU-M; PHYSICAL-PROPERTIES; BINARY-SYSTEM; SURVEY 2MASS; PHOTOMETRY; SPECTRA AB We report the discovery of the first new ultra-cool brown dwarf (BDs) found with the Wide-field Infrared Survey Explorer (WISE). The object's preliminary designation is WISEPC J045853.90+643451.9. Follow-up spectroscopy with the LUCIFER instrument on the Large Binocular Telescope indicates that it is a very late-type T dwarf with a spectral type approximately equal to T9. Fits to an IRTF/SpeX 0.8-2.5 mu m spectrum to the model atmospheres of Marley and Saumon indicate an effective temperature of approximately 600 K as well as the presence of vertical mixing in its atmosphere. The new BD is easily detected by WISE, with a signal-to-noise ratio of similar to 36 at 4.6 mu m. Current estimates place it at a distance of 6-10 pc. This object represents the first in what will likely be hundreds of nearby BDs found by WISE that will be suitable for follow-up observations, including those with the James Webb Space Telescope. One of the two primary scientific goals of the WISE mission is to find the coolest, closest stars to our Sun; the discovery of this new BD proves that WISE is capable of fulfilling this objective. C1 [Mainzer, A.; Cushing, Michael C.; Eisenhardt, P.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Skrutskie, M.; Beaton, R.] Univ Virginia, Charlottesville, VA 22904 USA. [Gelino, C. R.; Kirkpatrick, J. Davy; Jarrett, T.; Masci, F.; Marsh, K.; Padgett, D.] CALTECH, Ctr Infrared Proc & Anal, Pasadena, CA 91125 USA. [Marley, Mark S.] NASA, Ames Res Ctr, Mountain View, CA 94043 USA. [Saumon, D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Wright, E.; McLean, I.] UCLA Astron, Los Angeles, CA 90095 USA. [Dietrich, M.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Garnavich, P.; Rueff, K.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Kuhn, O.] Univ Arizona, Large Binocular Telescope Observ, Tucson, AZ 85721 USA. [Leisawitz, D.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP Mainzer, A (reprint author), CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. EM amainzer@jpl.nasa.gov RI Marley, Mark/I-4704-2013; OI Marley, Mark/0000-0002-5251-2943; Beaton, Rachael/0000-0002-1691-8217 FU National Aeronautics and Space Administration; National Science Foundation; Space Telescope Science Institute under U.S. Government [NAG W-2166]; National Geographic Society; Sloan Foundation; Samuel Oschin Foundation; Eastman Kodak Corporation; Bundesministerium fur Bildung und Forschung (BMBF) FX This publication makes use of data products from the Wide-field Infrared Survey Explorer, which is a joint project of the University of California, Los Angeles, and the Jet Propulsion Laboratory/California Institute of Technology, funded by the National Aeronautics and Space Administration. We are deeply grateful for the outstanding contributions of all the members of the WISE team. We thank Roger Griffith for assistance with Figure 2 and Beth Fabinsky for assistance with early searches. Support for the modeling work of D. S. was provided by NASA through the Spitzer Science Center. M. C. was supported by an appointment to the NASA Postdoctoral Program at the Jet Propulsion Laboratory, administered by Oak Ridge Associated Universities through a contract with NASA. This publication makes use of data products from the Two Micron All Sky Survey (2MASS). 2MASS is a joint project of the University of Massachusetts and the Infrared Processing and Analysis Center/California Institute of Technology, funded by the National Aeronautics and Space Administration and the National Science Foundation. This research has made use of the NASA/IPAC Infrared Science Archive (IRSA), which is operated by the Jet Propulsion Laboratory, California Institute of Technology, under contract with the National Aeronautics and Space Administration. Our research has been benefited from the M, L, and T dwarf compendium housed at DwarfArchives.org whose server was funded by a NASA Small Research Grant, administered by the American Astronomical Society. We are also indebted to the SIMBAD database, operated at CDS, Strasbourg, France. The Digitized Sky Surveys were produced at the Space Telescope Science Institute under U.S. Government grant NAG W-2166. The images of these surveys are based on photographic data obtained using the Oschin Schmidt Telescope on Palomar Mountain and the UK Schmidt Telescope. The Second Palomar Observatory Sky Survey (POSS-II) was made by the California Institute of Technology with funds from the National Science Foundation, the National Geographic Society, the Sloan Foundation, the Samuel Oschin Foundation, and the Eastman Kodak Corporation. The Oschin Schmidt Telescope is operated by the California Institute of Technology and Palomar Observatory. We thank Richard Green and the LBT staff for making the LUCIFER observations possible. The LBT is an international collaboration among institutions in the United States, Italy, and Germany. LBT Corporation partners are the University of Arizona on behalf of the Arizona University System; Istituto Nazionale di Astrofisica, Italy; LBT Beteiligungsgesellschaft, Germany, representing the Max-Planck Society, the Astrophysical Institute Potsdam, and Heidelberg University; The Ohio State University, and The Research Corporation, on behalf of The University of Notre Dame, University of Minnesota and University of Virginia. The LUCIFER Project is funded by the Bundesministerium fur Bildung und Forschung (BMBF). It is a collaboration of five German institutes: Landessternwarte Heidelberg, Max Planck Institut fur Astronomie (Heidelberg), Max Planck Institut fur Extraterrestrische Physik (Garching), Fachhochschule fur Technik und Gestaltung (Mannheim), and Astronomisches Institut der Universitat Bochum. NR 58 TC 48 Z9 48 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD JAN PY 2011 VL 726 IS 1 AR 30 DI 10.1088/0004-637X/726/1/30 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 695ZI UT WOS:000285411300030 ER PT J AU Conley, A Guy, J Sullivan, M Regnault, N Astier, P Balland, C Basa, S Carlberg, RG Fouchez, D Hardin, D Hook, IM Howell, DA Pain, R Palanque-Delabrouille, N Perrett, KM Pritchet, CJ Rich, J Ruhlmann-Kleider, V Balam, D Baumont, S Ellis, RS Fabbro, S Fakhouri, HK Fourmanoit, N Gonzalez-Gaitan, S Graham, ML Hudson, MJ Hsiao, E Kronborg, T Lidman, C Mourao, AM Neill, JD Perlmutter, S Ripoche, P Suzuki, N Walker, ES AF Conley, A. Guy, J. Sullivan, M. Regnault, N. Astier, P. Balland, C. Basa, S. Carlberg, R. G. Fouchez, D. Hardin, D. Hook, I. M. Howell, D. A. Pain, R. Palanque-Delabrouille, N. Perrett, K. M. Pritchet, C. J. Rich, J. Ruhlmann-Kleider, V. Balam, D. Baumont, S. Ellis, R. S. Fabbro, S. Fakhouri, H. K. Fourmanoit, N. Gonzalez-Gaitan, S. Graham, M. L. Hudson, M. J. Hsiao, E. Kronborg, T. Lidman, C. Mourao, A. M. Neill, J. D. Perlmutter, S. Ripoche, P. Suzuki, N. Walker, E. S. TI SUPERNOVA CONSTRAINTS AND SYSTEMATIC UNCERTAINTIES FROM THE FIRST THREE YEARS OF THE SUPERNOVA LEGACY SURVEY SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE cosmological parameters; cosmology: observations; supernovae: general ID HUBBLE-SPACE-TELESCOPE; IA LIGHT CURVES; SOUTHERN SPECTROPHOTOMETRIC STANDARDS; DARK ENERGY; INFRARED PHOTOMETRY; HOST GALAXY; COSMOLOGICAL PARAMETERS; OPTICAL PHOTOMETRY; STAR-FORMATION; REDSHIFT AB We combine high-redshift Type Ia supernovae from the first three years of the Supernova Legacy Survey (SNLS) with other supernova (SN) samples, primarily at lower redshifts, to form a high-quality joint sample of 472 SNe (123 low-z, 93 SDSS, 242 SNLS, and 14 Hubble Space Telescope). SN data alone require cosmic acceleration at > 99.999% confidence, including systematic effects. For the dark energy equation of state parameter (assumed constant out to at least z = 1.4) in a flat universe, we find w = -0.91(-0.20+)(0.16) (stat)(-0.14+)(0.07) (sys) from SNe only, consistent with a cosmological constant. Our fits include a correction for the recently discovered relationship between host-galaxy mass and SN absolute brightness. We pay particular attention to systematic uncertainties, characterizing them using a systematic covariance matrix that incorporates the redshift dependence of these effects, as well as the shape-luminosity and color-luminosity relationships. Unlike previous work, we include the effects of systematic terms on the empirical light-curve models. The total systematic uncertainty is dominated by calibration terms. We describe how the systematic uncertainties can be reduced with soon to be available improved nearby and intermediate-redshift samples, particularly those calibrated onto USNO/SDSS-like systems. C1 [Conley, A.; Carlberg, R. G.; Perrett, K. M.; Gonzalez-Gaitan, S.] Univ Toronto, Dept Astron & Astrophys, Toronto, ON M5S 3H4, Canada. [Conley, A.] Univ Colorado, Ctr Astrophys & Space Astron, Boulder, CO 80309 USA. [Guy, J.; Regnault, N.; Astier, P.; Balland, C.; Hardin, D.; Pain, R.; Fourmanoit, N.; Kronborg, T.; Ripoche, P.] Univ Paris 07, Univ Paris 06, LPNHE, CNRS IN2P3, F-75252 Paris 05, France. [Sullivan, M.; Hook, I. M.; Ellis, R. S.; Walker, E. S.] Univ Oxford, Dept Astrophys, Oxford OX1 3RH, England. [Balland, C.] Univ Paris 01, F-91405 Orsay, France. [Basa, S.] CNRS, LAM, F-13388 Marseille 13, France. [Fouchez, D.] CNRS IN2P3, CPPM, F-13288 Marseille 9, France. [Fouchez, D.] Univ Aix Marseille 2, F-13288 Marseille, France. [Hook, I. M.] INAF Osservatorio Astron Roma, I-00040 Monte Porzio Catone, RM, Italy. [Howell, D. A.] Global Telescope Network, Las Cumbres Observ, Goleta, CA 93117 USA. [Howell, D. A.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Palanque-Delabrouille, N.; Rich, J.; Ruhlmann-Kleider, V.] CEA, Ctr Saclay, Irfu SPP, F-91191 Gif Sur Yvette, France. [Perrett, K. M.] DRDC Ottawa, Network Informat Operat, Ottawa, ON K1A 0Z4, Canada. [Pritchet, C. J.; Balam, D.; Fabbro, S.; Graham, M. L.] Univ Victoria, Dept Phys & Astron, Victoria, BC V8T 1M8, Canada. [Baumont, S.] CNRS IN2P3, LPSC, F-38026 Grenoble, France. [Ellis, R. S.] CALTECH, Dept Astrophys, Pasadena, CA 91125 USA. [Fabbro, S.; Mourao, A. M.] CENTRA Ctr M Astrofis, Lisbon, Portugal. [Fabbro, S.; Mourao, A. M.] IST, Dept Phys, Lisbon, Portugal. [Fakhouri, H. K.; Hsiao, E.; Perlmutter, S.; Ripoche, P.; Suzuki, N.] LBNL, Berkeley, CA 91125 USA. [Hudson, M. J.] Univ Waterloo, Dept Phys & Astron, Waterloo, ON N2L 3G1, Canada. [Lidman, C.] Australian Astron Observ, Epping, NSW 1710, Australia. [Perlmutter, S.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Walker, E. S.] Scuola Normale Super Pisa, I-56126 Pisa, Italy. RP Conley, A (reprint author), Univ Toronto, Dept Astron & Astrophys, 50 St George St, Toronto, ON M5S 3H4, Canada. EM alexander.conley@colorado.edu RI Carlberg, Raymond/I-6947-2012; Hudson, Michael/H-3238-2012; Perlmutter, Saul/I-3505-2015; Mourao, Ana/K-9133-2015; OI Carlberg, Raymond/0000-0002-7667-0081; Hudson, Michael/0000-0002-1437-3786; Perlmutter, Saul/0000-0002-4436-4661; Mourao, Ana/0000-0002-0855-1849; Sullivan, Mark/0000-0001-9053-4820 FU NSERC; CIAR; CNRS/IN2P3; CNRS/INSU; CEA; Fundacao para a Ciencia e Tecnologia FX The SNLS collaboration gratefully acknowledges the assistance of Pierre Martin and the CFHT Queued Service Observations team. Jean-Charles Cuillandre and Kanoa Withington were also indispensable in making possible real-time data reduction at CFHT. This work is based on observations obtained with MegaPrime/MegaCam, a joint project of CFHT and CEA/DAPNIA, at the Canada-France-Hawaii Telescope (CFHT) which is operated by the National Research Council (NRC) of Canada, the Institut National des Sciences de l'Univers of the Centre National de la Recherche Scientifique (CNRS) of France, and the University of Hawaii. This work is based in part on data products produced at the Canadian Astronomy Data Centre as part of the CFHT Legacy Survey, a collaborative project of NRC and CNRS. Canadian collaboration members acknowledge support from NSERC and CIAR, French collaboration members from CNRS/IN2P3, CNRS/INSU and CEA, and Portugese members from Fundacao para a Ciencia e Tecnologia. NR 107 TC 337 Z9 342 U1 0 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0067-0049 EI 1538-4365 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD JAN PY 2011 VL 192 IS 1 AR 1 DI 10.1088/0067-0049/192/1/1 PG 29 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 700CO UT WOS:000285710500001 ER PT J AU Williams, PT Feldman, DE AF Williams, Paul T. Feldman, Daniel E. TI Prospective study of coronary heart disease vs. HDL2, HDL3, and other lipoproteins in Gofman's Livermore Cohort SO ATHEROSCLEROSIS LA English DT Article DE Lipoprotein; High-density lipoproteins; Risk factors; prevention ID DENSITY-LIPOPROTEIN; MYOCARDIAL-INFARCTION; NONFASTING TRIGLYCERIDES; CARDIOVASCULAR-DISEASE; SERUM LIPOPROTEINS; EDUCATION-PROGRAM; RISK; MEN; ATHEROSCLEROSIS; SUBFRACTIONS AB Objective: To assess the relationship of lipoprotein subfractions to coronary heart disease (CHD). Methods: Prospective 29.1-year follow-up of 1905 men measured for lipoprotein mass concentrations by analytic ultracentrifugation between 1954 and 1957. Vital status was determined for 97.2% of the cohort. Blinded physician medical record and death certificate review confirmed 179 CHD deaths. Follow-up questionnaires identified 182 nonfatal myocardial infarctions and 93 revascularization procedures from 1346 (98.3%) of the surviving cohort and from the next-of-kin of 153 men who died. Results: When adjusted for age, total incident CHD was inversely related to HDL2-mass (P = 0.0001) and HDL3-mass (P = 0.02), and concordantly related to LDL-mass (P< 10(-11)), IDL-mass (P< 10(-7)), and small (P< 10(-7)) and large VLDL-mass concentrations (P = 0.003). The hazard reduction per mg/dl of HDL was greater for HDL2-mass than HDL3-mass (P = 0.04). The lowest quartiles of both HDL2-mass (P = 0.007) and HDL3-mass (P = 0.001) independently predicted total incident CHD when adjusted for traditional risk factors. Risk for premature CHD (<= 65 years old) was significantly greater in men within the lowest HDL2 (P = 0.03) and HDL3 quartiles (P = 0.04) and having higher LDL-mass concentrations (P = 0.001). Serum cholesterol's relationship to incidentCHD(P< 10(-8)) was accounted for by adjustment for LDL-mass concentrations (adjusted P = 0.90). Conclusions: Lipoprotein subfractions differ in their relationship to CHD. Published by Elsevier Ireland Ltd. C1 [Williams, Paul T.; Feldman, Daniel E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Williams, PT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM ptwilliams@lbl.gov FU Institute of Aging [AG72110] FX This article was supported by grant AG72110 from the Institute of Aging. NR 32 TC 40 Z9 40 U1 0 U2 4 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0021-9150 J9 ATHEROSCLEROSIS JI Atherosclerosis PD JAN PY 2011 VL 214 IS 1 BP 196 EP 202 DI 10.1016/j.atherosclerosis.2010.10.024 PG 7 WC Cardiac & Cardiovascular Systems; Peripheral Vascular Disease SC Cardiovascular System & Cardiology GA 703QK UT WOS:000285994600033 PM 21109246 ER PT S AU Berman, GP Gorshkov, VN Torous, SV AF Berman, G. P. Gorshkov, V. N. Torous, S. V. BE Korotkova, O TI Scintillation reduction for combined Gaussian-vortex beam propagating through turbulent atmosphere SO ATMOSPHERIC AND OCEANIC PROPAGATION OF ELECTROMAGNETIC WAVES V SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Atmospheric and Oceanic Propagation of Electromagnetic Waves CY JAN 25, 2011 CL San Francisco, CA SP SPIE DE atmospheric turbulence; partially coherent beam; scintillation index ID PARTIALLY COHERENT BEAM; COMMUNICATION AB We numerically examine the spatial evolution of the structure of coherent and partially coherent laser beams (PCBs), including the optical vortices, propagating in turbulent atmospheres. The influence of beam fragmentation and wandering relative to the axis of propagation (z-axis) on the value of the scintillation index (SI) of the signal at the detector is analyzed. A method for significantly reducing the SI, by averaging the signal at the detector over a set of PCBs, is described. This novel method is to generate the PCBs by combining two laser beams - Gaussian and vortex beams, with different frequencies (the difference between these two frequencies being significantly smaller than the frequencies themselves). In this case, the SI is effectively suppressed without any high-frequency modulators. C1 [Berman, G. P.; Gorshkov, V. N.] LANL, Div Theoret, Los Alamos, NM 87545 USA. RP Berman, GP (reprint author), LANL, Div Theoret, T-4 & CNLS MS B213, Los Alamos, NM 87545 USA. EM gpb@lanl.gov RI Gorshkov, Vyacheslav/J-3329-2015 OI Gorshkov, Vyacheslav/0000-0002-7700-5649 NR 18 TC 1 Z9 1 U1 0 U2 7 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-8461-1 J9 PROC SPIE PY 2011 VL 7924 AR 79240G DI 10.1117/12.876218 PG 13 WC Optics; Physics, Applied SC Optics; Physics GA BYC56 UT WOS:000297975400010 ER PT J AU Wood, R Mechoso, CR Bretherton, CS Weller, RA Huebert, B Straneo, F Albrecht, BA Coe, H Allen, G Vaughan, G Daum, P Fairall, C Chand, D Klenner, LG Garreaud, R Grados, C Covert, DS Bates, TS Krejci, R Russell, LM de Szoeke, S Brewer, A Yuter, SE Springston, SR Chaigneau, A Toniazzo, T Minnis, P Palikonda, R Abel, SJ Brown, WOJ Williams, S Fochesatto, J Brioude, J Bower, KN AF Wood, R. Mechoso, C. R. Bretherton, C. S. Weller, R. A. Huebert, B. Straneo, F. Albrecht, B. A. Coe, H. Allen, G. Vaughan, G. Daum, P. Fairall, C. Chand, D. Gallardo Klenner, L. Garreaud, R. Grados, C. Covert, D. S. Bates, T. S. Krejci, R. Russell, L. M. de Szoeke, S. Brewer, A. Yuter, S. E. Springston, S. R. Chaigneau, A. Toniazzo, T. Minnis, P. Palikonda, R. Abel, S. J. Brown, W. O. J. Williams, S. Fochesatto, J. Brioude, J. Bower, K. N. TI The VAMOS Ocean-Cloud-Atmosphere-Land Study Regional Experiment (VOCALS-REx): goals, platforms, and field operations SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID SOUTHEAST PACIFIC STRATOCUMULUS; LIQUID WATER PATH; DIURNAL CYCLE; TROPICAL PACIFIC; MARINE STRATOCUMULUS; CELLULAR STRUCTURES; BOUNDARY-LAYER; OPEN CELLS; PART I; VARIABILITY AB The VAMOS(1) Ocean-Cloud-Atmosphere-Land Study Regional Experiment (VOCALS-REx) was an international field program designed to make observations of poorly understood but critical components of the coupled climate system of the southeast Pacific. This region is characterized by strong coastal upwelling, the coolest SSTs in the tropical belt, and is home to the largest subtropical stratocumulus deck on Earth. The field intensive phase of VOCALS-REx took place during October and November 2008 and constitutes a critical part of a broader CLIVAR program (VOCALS) designed to develop and promote scientific activities leading to improved understanding, model simulations, and predictions of the southeastern Pacific (SEP) coupled ocean-atmosphere-land system, on diurnal to interannual timescales. The other major components of VOCALS are a modeling program with a model hierarchy ranging from the local to global scales, and a suite of extended observations from regular research cruises, instrumented moorings, and satellites. The two central themes of VOCALS-REx focus upon (a) links between aerosols, clouds and precipitation and their impacts on marine stratocumulus radiative properties, and (b) physical and chemical couplings between the upper ocean and the lower atmosphere, including the role that mesoscale ocean eddies play. A set of hypotheses designed to be tested with the combined field, monitoring and modeling work in VOCALS is presented here. A further goal of VOCALS-REx is to provide datasets for the evaluation and improvement of large-scale numerical models. VOCALS-REx involved five research aircraft, two ships and two surface sites in northern Chile. We describe the instrument pay-loads and key mission strategies for these platforms and give a summary of the missions conducted. C1 [Wood, R.; Bretherton, C. S.; Chand, D.; Covert, D. S.] Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA. [Mechoso, C. R.] Univ Calif Los Angeles, Los Angeles, CA USA. [Weller, R. A.; Straneo, F.] Woods Hole Oceanog Inst, Woods Hole, MA USA. [Huebert, B.] Univ Hawaii, Honolulu, HI 96822 USA. [Albrecht, B. A.] Univ Miami, Rosenstiel Sch Marine & Atmospher Sci, Coral Gables, FL 33124 USA. [Coe, H.; Allen, G.; Vaughan, G.; Bower, K. N.] Univ Manchester, Sch Earth Atmospher & Environm Sci, Manchester M13 9PL, Lancs, England. [Daum, P.; Springston, S. R.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Fairall, C.; Brewer, A.; Brioude, J.] NOAA, Earth Syst Res Lab, Boulder, CO USA. [Gallardo Klenner, L.; Garreaud, R.] Univ Chile, Dept Geofis, Santiago, Chile. [Bates, T. S.] NOAA, Pacific Marine Environm Lab, Seattle, WA 98115 USA. [Krejci, R.] Stockholm Univ, Dept Appl Environm Sci ITM, Stockholm, Sweden. [Russell, L. M.] Univ Calif San Diego, Scripps Inst Oceanog, San Diego, CA 92103 USA. [de Szoeke, S.] Oregon State Univ, Corvallis, OR 97331 USA. [Yuter, S. E.] N Carolina State Univ, Raleigh, NC 27695 USA. [Toniazzo, T.] Univ Reading, Dept Meteorol, Reading RG6 2AH, Berks, England. [Chaigneau, A.] Inst Rech Dev, Marseille, France. [Minnis, P.] NASA, Langley Res Ctr, Hampton, VA 23665 USA. [Abel, S. J.] Met Off, Exeter, Devon, England. [Brown, W. O. J.; Williams, S.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Fochesatto, J.] Univ Alaska, Fairbanks, AK 99701 USA. [Brioude, J.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Palikonda, R.] Sci Syst & Applicat Inc, Hampton, VA USA. RP Wood, R (reprint author), Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA. EM robwood@atmos.washington.edu RI Brioude, Jerome/E-4629-2011; Gallardo, Laura/H-4370-2013; Garreaud, Rene/I-6298-2016; Bates, Timothy/L-6080-2016; Minnis, Patrick/G-1902-2010; Wood, Robert/A-2989-2008; Abel, Steven/H-4880-2012; Allen, Grant /A-7737-2013; Coe, Hugh/C-8733-2013; Chaigneau, Alexis/E-4324-2010; Krejci, Radovan/L-3257-2013; Yuter, Sandra/E-8808-2015; Vaughan, Geraint/O-2459-2015 OI Garreaud, Rene/0000-0002-7875-2443; Straneo, Fiammetta/0000-0002-1735-2366; Coe, Hugh/0000-0002-3264-1713; Gallardo, Laura/0000-0001-7605-3721; Minnis, Patrick/0000-0002-4733-6148; Wood, Robert/0000-0002-1401-3828; Abel, Steven/0000-0002-1330-4199; Allen, Grant /0000-0002-7070-3620; Krejci, Radovan/0000-0002-9384-9702; Yuter, Sandra/0000-0002-3222-053X; Vaughan, Geraint/0000-0002-0885-0398 FU Natural Environment Research Council, UK; DoE [DE-AI02-07ER64546]; US National Science Foundation [OCE07-44245, ATM-0934275, ATM0748012, ATM-0749011, ATM-0746685, AGS-0745337, ATM-0744636, ATM-0839872, ATM-0749088, ATM-0745702, ATM-0745986, OCE-0744245, OCE-0741917]; US National Oceanic and Atmospheric Administration [NA08OAR4320899, NA09OAR4310206, NA070AR4310282, NA08OAR4310597, NA08OAR4310566, GC08-252b]; NOAA [NA07OAR4310267, NA06OAR4310119, NA07OAR4310248]; NSF; US Office of Naval Research [PE 0602435, N000140810437]; Chilean FONDECYT [1109004, 1090412]; Swedish Research Council for Environment, Agricultural Sciences and Spatial Planning [2007-1008]; Met Office (UK); UK Natural Environment Research Council [NE/F019874/1, NE/F018592/1]; NSF-NCAR [0301213] FX It is practically impossible to acknowledge all the people who have contributed to VOCALS, but we can try to pay tribute to the various groups that have dedicated their resources, efforts, sweat and tears to the planning and execution of the program. First, we need to thank the teams led by Bob Weller at WHOI that deployed and maintained with annual cruises the IMET buoy which has provided almost a decade of high quality meteorological, radiation and oceanographic measurements. Thanks to Chris Fairall and coworkers at ESRL, and the scientists involved in the EPIC Stratocumulus cruise, these ship-borne data have led to a wealth of scientific data. We are extremely grateful to the support staff, crew and scientists who helped make the VOCALS-REx a success. These include the PIs, support scientists and crews of the six aircraft platforms (the NSF/NCAR C-130, the UK FAAM BAe-146, the DoE G-1, the CIRPAS Twin Otter, the UK NERC Dornier 228, and, in the 2010 CUpEx phase, the Chilean DGAC King Air), the two ships (the NOAA Ronald H. Brown, and the Peruvian IMARPE Jose Olaya), and the land stations at Iquique and Paposo. The NCAR Earth Observing Laboratory is thanked for their dedication to coordinating and executing field logistics and data archive support for VOCALS REx. The cooperation of hosts and collaborators in Chile and Peru who provided various critical facilities and support during REx is gratefully acknowledged. These include dedicated staff from the Chilean Weather Service (DMC), Ana Maria Cordova at Universidad de Valparaiso, Ricardo Munoz, Jose Rutllant and fellow students at Universidad de Chile, Rosalino Fuenzalida, and fellow staff and students at Universidad Arturo Prat, Iquique, Chile; Yamina Silva at Instituto Geofisico del Peru, Lima and Boris Dewitte at Laboratoire d'Etudes en Geophysique et Oceanographie Spatiales (LEGOS), Toulouse, France. Sounding operations were led by Tim Lim and quality control by Kate Young, both of NCAR/EOL. We also thank the Natural Environment Research Council, UK, for supporting the UK University contribution to VOCALS, and to FAAM, Directflight Ltd., Avalon Engineering Ltd, and ARSF, for providing the BAe146 and Dornier-228 aircraft respectively. Without the untiring efforts of the staff of these Facilities the science objectives of VOCALS would not have been met. The European Southern Observatory (ESO) are thanked for their help and support for measurements at Paranal. The NASA Langley GOES-10 analyses were supported by the NASA Modeling, Analysis, and Prediction Program and the DoE Atmospheric Radiation Measurement Program Agreement DE-AI02-07ER64546.; Funding for VOCALS-REx was provided through the following grants: US National Science Foundation grants OCE07-44245, ATM-0934275, ATM0748012, ATM-0749011, ATM-0746685, AGS-0745337, ATM-0744636, ATM-0839872, ATM-0749088, ATM-0745702, ATM-0745986, OCE-0744245 and OCE-0741917; US National Oceanic and Atmospheric Administration grants NA08OAR4320899, NA09OAR4310206, NA070AR4310282, NA08OAR4310597, NA08OAR4310566, and GC08-252b; cooperative agreements between NOAA and NSF to fund logistics, operations and data archiving funded through NOAA grants NA07OAR4310267, NA06OAR4310119, and NA07OAR4310248; the US Office of Naval Research grants PE 0602435, N000140810437, and N000140810465; the Chilean FONDECYT grants 1109004 and 1090412; the Swedish Research Council for Environment, Agricultural Sciences and Spatial Planning grant 2007-1008; The Met Office (UK); the UK Natural Environment Research Council grants NE/F019874/1 and NE/F018592/1; NSF-NCAR Cooperative Agreement: 0301213 Amendment 64 funded VOCALS Field Support; Meteo France. NR 53 TC 130 Z9 131 U1 0 U2 38 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 2 BP 627 EP 654 DI 10.5194/acp-11-627-2011 PG 28 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 713GE UT WOS:000286722300016 ER PT J AU Turnbull, JC Karion, A Fischer, ML Faloona, I Guilderson, T Lehman, SJ Miller, BR Miller, JB Montzka, S Sherwood, T Saripalli, S Sweeney, C Tans, PP AF Turnbull, J. C. Karion, A. Fischer, M. L. Faloona, I. Guilderson, T. Lehman, S. J. Miller, B. R. Miller, J. B. Montzka, S. Sherwood, T. Saripalli, S. Sweeney, C. Tans, P. P. TI Assessment of fossil fuel carbon dioxide and other anthropogenic trace gas emissions from airborne measurements over Sacramento, California in spring 2009 SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID ATMOSPHERIC CO2; UNITED-STATES; VERTICAL PROFILES; EXCHANGE; OZONE; SCALE; CALIBRATION; (CO2)-C-14; TRANSPORT; AEROSOLS AB Direct quantification of fossil fuel CO2 (CO(2)ff) in atmospheric samples can be used to examine several carbon cycle and air quality questions. We collected in situ CO2, CO, and CH4 measurements and flask samples in the boundary layer and free troposphere over Sacramento, California, USA, during two aircraft flights over and downwind of this urban area during spring of 2009. The flask samples were analyzed for Delta(CO2)-C-14 and CO2 to determine the recently added CO(2)ff mole fraction. A suite of greenhouse and other trace gases, including hydrocarbons and halocarbons, were measured in the same samples. Strong correlations were observed between CO(2)ff and numerous trace gases associated with urban emissions. From these correlations we estimate emission ratios between CO(2)ff and these species, and compare these with bottom-up inventory-derived estimates. Recent county level inventory estimates for carbon monoxide (CO) and benzene from the California Air Resources Board CEPAM database are in good agreement with our measured emission ratios, whereas older emissions inventories appear to overestimate emissions of these gases by a factor of two. For most other trace species, there are substantial differences (200-500%) between our measured emission ratios and those derived from available emission inventories. For the first flight, we combine in situ CO measurements with the measured CO:CO(2)ff emission ratio of 14 +/- 2 ppbCO/ppmCO(2) to derive an estimate of CO(2)ff mole fraction throughout this flight, and also estimate the biospheric CO2 mixing ratio (CO(2)bio) from the difference of total and fossil CO2. The resulting CO(2)bio varies dramatically from up to 8 +/- 2 ppm in the urban plume to -6 +/- 1 ppm in the surrounding boundary layer air. Finally, we use the in situ estimates of CO(2)ff mole fraction to infer total fossil fuel CO2 emissions from the Sacramento region, using a mass balance approach. The resulting emissions are uncertain to within a factor of two due to uncertainties in wind speed and boundary layer height. Nevertheless, this first attempt to estimate urban-scale CO(2)ff from atmospheric radiocarbon measurements shows that CO(2)ff can be used to verify and improve emission inventories for many poorly known anthropogenic species, separate biospheric CO2, and indicates the potential to constrain CO(2)ff emissions if transport uncertainties are reduced. C1 [Turnbull, J. C.; Karion, A.; Miller, B. R.; Miller, J. B.; Montzka, S.; Sweeney, C.; Tans, P. P.] Natl Ocean & Atmospher Adm, Earth Syst Res Lab, Boulder, CO 80305 USA. [Turnbull, J. C.; Lehman, S. J.] Univ Colorado, Inst Arctic & Alpine Res, Boulder, CO 80309 USA. [Karion, A.; Miller, B. R.; Miller, J. B.; Sweeney, C.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Fischer, M. L.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Faloona, I.] Univ Calif Davis, Dept Land Air & Water Resources, Davis, CA 95616 USA. [Guilderson, T.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94551 USA. [Sherwood, T.; Saripalli, S.] KalScott Engn, Lawrence, KS 66046 USA. RP Turnbull, JC (reprint author), Natl Ocean & Atmospher Adm, Earth Syst Res Lab, 325 Broadway, Boulder, CO 80305 USA. EM jocelyn.turnbull@noaa.gov OI Miller, Benjamin/0000-0003-1647-0122; Turnbull, Jocelyn/0000-0002-0306-9658; Montzka, Stephen/0000-0002-9396-0400 FU US Department of Energy's Office of Biological and Environmental Research [DE-FG02-04ER83986, DE-AC02-05CH11231] FX Aircraft infrastructure development and flight missions were supported by the Small Business Innovative Research program administered the US Department of Energy's Office of Biological and Environmental Research to Kalscott Engineering (Lawrence, KS) contract No. DE-FG02-04ER83986, and to the Lawrence Berkeley National Laboratory under contract No. DE-AC02-05CH11231. Thanks to Paula Zermeno for assistance and advice on 14CO2 sample preparation. Two anonymous reviewers provided helpful feedback on an earlier draft of this paper. NR 58 TC 51 Z9 52 U1 7 U2 33 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 2 BP 705 EP 721 DI 10.5194/acp-11-705-2011 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 713GE UT WOS:000286722300021 ER PT J AU Lei, Y Zhang, Q He, KB Streets, DG AF Lei, Y. Zhang, Q. He, K. B. Streets, D. G. TI Primary anthropogenic aerosol emission trends for China, 1990-2005 SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID CLIMATE-CHEMISTRY/AEROSOL MODEL; PARTICULATE AIR-POLLUTION; FIRED POWER-PLANTS; BLACK CARBON; EAST-ASIA; COAL COMBUSTION; SOLAR-RADIATION; CO2 EMISSIONS; INTEX-B; INVENTORY AB An inventory of anthropogenic primary aerosol emissions in China was developed for 1990-2005 using a technology-based approach. Taking into account changes in the technology penetration within industry sectors and improvements in emission controls driven by stricter emission standards, a dynamic methodology was derived and implemented to estimate inter-annual emission factors. Emission factors of PM2.5 decreased by 7%-69% from 1990 to 2005 in different industry sectors of China, and emission factors of TSP decreased by 18%-80% as well, with the measures of controlling PM emissions implemented. As a result, emissions of PM2.5 and TSP in 2005 were 11.0 Tg and 29.7 Tg, respectively, less than what they would have been without the adoption of these measures. Emissions of PM2.5, PM10 and TSP presented similar trends: they increased in the first six years of 1990s and decreased until 2000, then increased again in the following years. Emissions of TSP peaked (35.5 Tg) in 1996, while the peak of PM10 (18.8 Tg) and PM2.5 (12.7 Tg) emissions occurred in 2005. Although various emission trends were identified across sectors, the cement industry and biofuel combustion in the residential sector were consistently the largest sources of PM2.5 emissions, accounting for 53%-62% of emissions over the study period. The non-metallic mineral product industry, including the cement, lime and brick industries, accounted for 54%-63% of national TSP emissions. There were no significant trends of BC and OC emissions until 2000, but the increase after 2000 brought the peaks of BC (1.51 Tg) and OC (3.19 Tg) emissions in 2005. Although significant improvements in the estimation of primary aerosols are presented here, there still exist large uncertainties. More accurate and detailed activity information and emission factors based on local tests are essential to further improve emission estimates, this especially being so for the brick and coke industries, as well as for coal-burning stoves and biofuel usage in the residential sector. C1 [Lei, Y.; He, K. B.] Tsinghua Univ, Dept Environm Sci & Engn, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. [Lei, Y.] Chinese Acad Environm Planning, Key Lab Environm Planning & Policy Simulat, Beijing 100012, Peoples R China. [Lei, Y.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Zhang, Q.] Tsinghua Univ, Ctr Earth Syst Sci, Beijing 100084, Peoples R China. [Streets, D. G.] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA. RP He, KB (reprint author), Tsinghua Univ, Dept Environm Sci & Engn, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. EM hekb@tsinghua.edu.cn RI Zhang, Qiang/D-9034-2012; Lei, Yu/G-6247-2013; hui, wanghui/C-5671-2008; lei, yu/D-3274-2016; OI Streets, David/0000-0002-0223-1350 FU China's National Basic Research Program [2010CB951803, 2005CB422201]; China's National High Technology Research and Development Program [2006AA06A305]; National Natural Science Foundation of China [20625722] FX The authors would like to thank Zbigniew Klimont for comprehensive comments and interactive discussions on this work. We also thank two anonymous referees for helpful comments. The work was supported by China's National Basic Research Program (2010CB951803, 2005CB422201) and China's National High Technology Research and Development Program (2006AA06A305). K. B. He would like to thank the National Natural Science Foundation of China (20625722) for financial support. The authors would thank S. C. Kang for her help on emission gridding. NR 110 TC 154 Z9 175 U1 30 U2 172 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 3 BP 931 EP 954 DI 10.5194/acp-11-931-2011 PG 24 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 721KW UT WOS:000287354100003 ER PT J AU Koch, D Balkanski, Y Bauer, SE Easter, RC Ferrachat, S Ghan, SJ Hoose, C Iversen, T Kirkevag, A Kristjansson, JE Liu, X Lohmann, U Menon, S Quaas, J Schulz, M Seland, O Takemura, T Yan, N AF Koch, D. Balkanski, Y. Bauer, S. E. Easter, R. C. Ferrachat, S. Ghan, S. J. Hoose, C. Iversen, T. Kirkevag, A. Kristjansson, J. E. Liu, X. Lohmann, U. Menon, S. Quaas, J. Schulz, M. Seland, O. Takemura, T. Yan, N. TI Soot microphysical effects on liquid clouds, a multi-model investigation SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID CLIMATE MODEL ECHAM5-HAM; GLOBAL CLIMATE; AEROSOL; PARAMETERIZATION; SIMULATION; TRANSPORT; AEROCOM AB We use global models to explore the microphysical effects of carbonaceous aerosols on liquid clouds. Although absorption of solar radiation by soot warms the atmosphere, soot may cause climate cooling due to its contribution to cloud condensation nuclei (CCN) and therefore cloud brightness. Six global models conducted three soot experiments; four of the models had detailed aerosol microphysical schemes. The average cloud radiative response to biofuel soot (black and organic carbon), including both indirect and semi-direct effects, is -0.11 Wm(-2), comparable in size but opposite in sign to the respective direct effect. In a more idealized fossil fuel black carbon experiment, some models calculated a positive cloud response because soot provides a deposition sink for sulfuric and nitric acids and secondary organics, decreasing nucleation and evolution of viable CCN. Biofuel soot particles were also typically assumed to be larger and more hygroscopic than for fossil fuel soot and therefore caused more negative forcing, as also found in previous studies. Diesel soot (black and organic carbon) experiments had relatively smaller cloud impacts with five of the models <+/- 0.06 Wm(-2) from clouds. The results are subject to the caveats that variability among models, and regional and interrannual variability for each model, are large. This comparison together with previously published results stresses the need to further constrain aerosol microphysical schemes. The non-linearities resulting from the competition of opposing effects on the CCN population make it difficult to extrapolate from idealized experiments to likely impacts of realistic potential emission changes. C1 [Koch, D.; Bauer, S. E.] Columbia Univ, New York, NY USA. [Koch, D.; Bauer, S. E.] NASA, Goddard Inst Space Studies, New York, NY 10025 USA. [Balkanski, Y.; Schulz, M.; Yan, N.] Lab Sci Climat & Environm, Gif Sur Yvette, France. [Ferrachat, S.; Lohmann, U.] ETH, Inst Atmospher & Climate Sci, Zurich, Switzerland. [Iversen, T.; Kirkevag, A.; Seland, O.] Norwegian Meteorol Inst, Oslo, Norway. [Quaas, J.] Max Planck Inst Meteorol, Hamburg, Germany. [Hoose, C.] Karlsruhe Inst Technol, Inst Meteorol & Climate Res, Karlsruhe, Germany. [Easter, R. C.; Ghan, S. J.; Liu, X.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Menon, S.] Lawrence Berkeley Lab, Berkeley, CA USA. [Hoose, C.; Kristjansson, J. E.; Schulz, M.] Univ Oslo, Dept Geosci, Oslo, Norway. [Takemura, T.] Kyushu Univ, Fukuoka 812, Japan. EM dorothy.koch@science.doe.gov RI Lohmann, Ulrike/B-6153-2009; Kyushu, RIAM/F-4018-2015; Ghan, Steven/H-4301-2011; Hoose, Corinna/A-4295-2009; Takemura, Toshihiko/C-2822-2009; Liu, Xiaohong/E-9304-2011; Balkanski, Yves/A-6616-2011; Bauer, Susanne/P-3082-2014; Schulz, Michael/A-6930-2011; U-ID, Kyushu/C-5291-2016; Quaas, Johannes/I-2656-2013 OI Lohmann, Ulrike/0000-0001-8885-3785; Ghan, Steven/0000-0001-8355-8699; Hoose, Corinna/0000-0003-2827-5789; Takemura, Toshihiko/0000-0002-2859-6067; Liu, Xiaohong/0000-0002-3994-5955; Balkanski, Yves/0000-0001-8241-2858; Schulz, Michael/0000-0003-4493-4158; Quaas, Johannes/0000-0001-7057-194X FU NASA; Clean Air Task Force; EUCAARI [036833-2]; IPY POLARCAT and NorClim (Norwegian Research Council [178246, 460724]; Norwegian Research Council; Battelle Memorial Institute [DE-AC06-76RLO 1830]; US DOE [DE-AC02-05CH1123] FX We acknowledge two anonymous reviewers for their helpful comments on our manuscript. We thank Tami Bond for providing diesel emissions for the experiments and for comments on the manuscript. D. Koch was supported by the NASA MAP Program and the Clean Air Task Force. The work with CAM-Oslo was supported by the projects EUCAARI (European Integrated project No. 036833-2), IPY POLARCAT and NorClim (Norwegian Research Council grants No. 178246 and 460724) and by the Norwegian Research Council's program for Supercomputing through a grant of computer time. R. C. Easter, S. J. Ghan, and X. Liu were funded by the US Department of Energy, Office of Science, Scientific Discovery through Advanced Computing (SciDAC) program. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC06-76RLO 1830. The work at LBNL was supported by US DOE under Contract No. DE-AC02-05CH1123. S. Menon acknowledges support from the NASA MAP and the DOE ASR and Global Climate Modeling Program. NR 37 TC 30 Z9 30 U1 2 U2 20 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 3 BP 1051 EP 1064 DI 10.5194/acp-11-1051-2011 PG 14 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 721KW UT WOS:000287354100011 ER PT J AU Smith, SJ van Aardenne, J Klimont, Z Andres, RJ Volke, A Arias, SD AF Smith, S. J. van Aardenne, J. Klimont, Z. Andres, R. J. Volke, A. Arias, S. Delgado TI Anthropogenic sulfur dioxide emissions: 1850-2005 SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID BIOMASS BURNING EMISSIONS; UPDATED EMISSIONS; NITROGEN-OXIDES; EAST-ASIA; INVENTORY; SCENARIOS; AEROSOLS; SO2; PROJECTIONS; RESOLUTION AB Sulfur aerosols impact human health, ecosystems, agriculture, and global and regional climate. A new annual estimate of anthropogenic global and regional sulfur dioxide emissions has been constructed spanning the period 1850 2005 using a bottom-up mass balance method, calibrated to country-level inventory data. Global emissions peaked in the early 1970s and decreased until 2000, with an increase in recent years due to increased emissions in China, international shipping, and developing countries in general. An uncertainty analysis was conducted including both random and systemic uncertainties. The overall global uncertainty in sulfur dioxide emissions is relatively small, but regional uncertainties ranged up to 30%. The largest contributors to uncertainty at present are emissions from China and international shipping. Emissions were distributed on a 0.5 degrees grid by sector for use in coordinated climate model experiments. C1 [Smith, S. J.; Volke, A.; Arias, S. Delgado] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. [van Aardenne, J.] Commiss European Communities, European Commiss Joint Res Ctr, I-21027 Ispra, VA, Italy. [Klimont, Z.] Int Inst Appl Syst Anal, A-2361 Laxenburg, Austria. [Andres, R. J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Smith, SJ (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, 5825 Univ Res Court,Suite 3500, College Pk, MD 20740 USA. EM ssmith@pnl.gov RI ANDRES, ROBERT/B-9786-2012; Klimont, Zbigniew/P-7641-2015; OI Klimont, Zbigniew/0000-0003-2630-198X; ANDRES, ROBERT/0000-0001-8781-4979 FU Office of Science (BER), US Department of Energy; ACCENT; EUCAARI; US Department of Energy, Office of Science, Biological and Environmental Research (BER); US Department of Energy [DE-AC05-00OR22725] FX Work at PNNL on this project was supported by the Office of Science (BER), US Department of Energy. Z. Klimont and GAINS work was supported by ACCENT and EUCAARI. RJA was sponsored by US Department of Energy, Office of Science, Biological and Environmental Research (BER) programs and performed at Oak Ridge National Laboratory (ORNL) under US Department of Energy contract DE-AC05-00OR22725. The authors would like to thank Elaine Chapman for a very useful internal review, Andreas Richter for Figure 9 and helpful comments, and the many colleagues and organizations that shared data used in this project. We also thank Mayda Nathan, Terri Weber, and Andrew Mizrahi for assistance with proofreading and formatting. The authors would like to thank the two anonymous referees for their detailed comments, which were of great value in improving the paper. NR 73 TC 253 Z9 258 U1 11 U2 98 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 3 BP 1101 EP 1116 DI 10.5194/acp-11-1101-2011 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 721KW UT WOS:000287354100014 ER PT J AU Duplissy, J DeCarlo, PF Dommen, J Alfarra, MR Metzger, A Barmpadimos, I Prevot, ASH Weingartner, E Tritscher, T Gysel, M Aiken, AC Jimenez, JL Canagaratna, MR Worsnop, DR Collins, DR Tomlinson, J Baltensperger, U AF Duplissy, J. DeCarlo, P. F. Dommen, J. Alfarra, M. R. Metzger, A. Barmpadimos, I. Prevot, A. S. H. Weingartner, E. Tritscher, T. Gysel, M. Aiken, A. C. Jimenez, J. L. Canagaratna, M. R. Worsnop, D. R. Collins, D. R. Tomlinson, J. Baltensperger, U. TI Relating hygroscopicity and composition of organic aerosol particulate matter SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID ALPINE SITE JUNGFRAUJOCH; MASS-SPECTROMETRY; HIGH-RESOLUTION; CHEMICAL-COMPOSITION; AMMONIUM-SULFATE; REACTION CHAMBER; MODEL FRAMEWORK; WATER ACTIVITY; PART 1; SECONDARY AB A hygroscopicity tandem differential mobility analyzer (HTDMA) was used to measure the water uptake (hygroscopicity) of secondary organic aerosol (SOA) formed during the chemical and photochemical oxidation of several organic precursors in a smog chamber. Electron ionization mass spectra of the non-refractory submicron aerosol were simultaneously determined with an aerosol mass spectrometer (AMS), and correlations between the two different signals were investigated. SOA hygroscopicity was found to strongly correlate with the relative abundance of the ion signal m/z 44 expressed as a fraction of total organic signal (f(44)). m/z 44 is due mostly to the ion fragment CO2+ for all types of SOA systems studied, and has been previously shown to strongly correlate with organic O/C for ambient and chamber OA. The analysis was also performed on ambient OA from two field experiments at the remote site Jungfrau-joch, and the megacity Mexico City, where similar results were found. A simple empirical linear relation between the hygroscopicity of OA at subsaturated RH, as given by the hygroscopic growth factor (GF) or "kappa(org)", parameter, and f(44) was determined and is given by kappa(org) = 2.2 x f(44) - 0.13. This approximation can be further verified and refined as the database for AMS and HTDMA measurements is constantly being expanded around the world. The use of this approximation could introduce an important simplification in the parameterization of hygroscopicity of OA in atmospheric models, since f(44) is correlated with the photochemical age of an air mass. C1 [Duplissy, J.; DeCarlo, P. F.; Dommen, J.; Metzger, A.; Barmpadimos, I.; Prevot, A. S. H.; Weingartner, E.; Tritscher, T.; Gysel, M.; Baltensperger, U.] Paul Scherrer Inst, Lab Atmospher Chem, CH-5232 Villigen, Switzerland. [Alfarra, M. R.] Univ Manchester, Sch Earth Atmospher & Environm Sci, NCAS, Manchester, Lancs, England. [DeCarlo, P. F.; Aiken, A. C.; Jimenez, J. L.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [DeCarlo, P. F.; Aiken, A. C.; Jimenez, J. L.] Univ Colorado, CIRES, Boulder, CO 80309 USA. [Canagaratna, M. R.; Worsnop, D. R.] Aerodyne Res Inc, Billerica, MA 01821 USA. [Worsnop, D. R.] Univ Helsinki, Dept Phys, Helsinki 000014, Finland. [Collins, D. R.; Tomlinson, J.] Texas A&M Univ, Dept Atmospher Sci, College Stn, TX 77843 USA. [Tomlinson, J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Duplissy, J (reprint author), CERN, PH Dept, CH-1211 Geneva, Switzerland. EM jonathan.duplissy@cern.ch RI Weingartner, Ernest/B-6793-2009; Prevot, Andre/C-6677-2008; Jimenez, Jose/A-5294-2008; DeCarlo, Peter/B-2118-2008; Collins, Don/F-9617-2012; Alfarra, M. Rami/K-2156-2012; Gysel, Martin/C-3843-2008; Duplissy, Jonathan/A-1723-2010; Tomlinson, Jason/C-6566-2009; Worsnop, Douglas/D-2817-2009; Aiken, Allison/B-9659-2009; OI Weingartner, Ernest/0000-0002-2427-4634; Prevot, Andre/0000-0002-9243-8194; Jimenez, Jose/0000-0001-6203-1847; DeCarlo, Peter/0000-0001-6385-7149; Gysel, Martin/0000-0002-7453-1264; Duplissy, Jonathan/0000-0001-8819-0264; Worsnop, Douglas/0000-0002-8928-8017; Aiken, Allison/0000-0001-5749-7626; Alfarra, Rami/0000-0002-3925-3780 FU Swiss National Science Foundation; EC [215072]; NOAA [NA08OAR4310565]; NSF [0701013] FX This work was supported by the Swiss National Science Foundation as well as by the EC projects EUROCHAMP, POLYSOA, and EUCAARI. JLJ was supported by NOAA grant NA08OAR4310565. PFD is grateful for funding from NSF IRFP (0701013). J. Duplissy was supported from the EC's 7th Framework Programme under grant agreement number 215072 (Marie Curie Initial Training Network "CLOUD-ITN"). NR 58 TC 116 Z9 117 U1 11 U2 97 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 3 BP 1155 EP 1165 DI 10.5194/acp-11-1155-2011 PG 11 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 721KW UT WOS:000287354100018 ER PT J AU Li, L Chen, CH Fu, JS Huang, C Streets, DG Huang, HY Zhang, GF Wang, YJ Jang, CJ Wang, HL Chen, YR Fu, JM AF Li, L. Chen, C. H. Fu, J. S. Huang, C. Streets, D. G. Huang, H. Y. Zhang, G. F. Wang, Y. J. Jang, C. J. Wang, H. L. Chen, Y. R. Fu, J. M. TI Air quality and emissions in the Yangtze River Delta, China SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID MODELING SYSTEM; EAST-ASIA; OZONE POLLUTION; GASEOUS-POLLUTANTS; BOUNDARY-LAYER; RURAL SITE; SHANGHAI; SO2; NOX; SENSITIVITY AB Regional trans-boundary air pollution has become an important issue in the field of air pollution modeling. This paper presents the results of the implementation of the MM5-CMAQ modeling system in the Yangtze River Delta (YRD) for the months of January and July of 2004. The meteorological parameters are obtained by using the MM5 model. A new regional emission inventory with spatial and temporal allocations based on local statistical data has been developed to provide input emissions data to the MM5-CMAQ modeling system. The pollutant concentrations obtained from the MM5-CMAQ modeling system have been compared with observational data from the national air pollution monitoring network. It is found that air quality in winter in the YRD is generally worse than in summer, due mainly to unfavorable meteorological dispersion conditions. In winter, the pollution transport from Northern China to the YRD reinforces the pollution caused by large local emissions. The monthly average concentration of SO2 in the YRD is 0.026 +/- 0.011 mg m(-3) in January and 0.017 +/- 0.009 mg m(-3) in July. Monthly average concentrations of NO2 in the YRD in January and July are 0.021 +/- 0.009 mg m(-3), and 0.014 +/- 0.008 mg m(-3), respectively. The monthly average concentration of PM10 in the YRD is 0.080 +/- 0.028 mg m(-3) in January and 0.025 +/- 0.015 mg m(-3) in July. Visibility is also a problem, with average deciview values of 26.4 +/- 2.95 dcv in winter and 17.6 +/- 3.3 dcv in summer. The ozone concentration in the downtown area of a city like Zhoushan can be very high, with the highest simulated value reaching 0.24 mg m(-3). In January, the monthly average concentration of O-3 in the YRD is 0.052 +/- 0.011 mg m(-3), and 0.054 +/- 0.008 mg m(-3) in July. Our results show that ozone and haze have become extremely important issues in the regional air quality. Thus, regional air pollution control is urgently needed to improve air quality in the YRD. C1 [Li, L.; Chen, C. H.; Huang, C.; Huang, H. Y.; Zhang, G. F.; Wang, H. L.; Chen, Y. R.] Shanghai Acad Environm Sci, Shanghai 200233, Peoples R China. [Fu, J. S.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA. [Streets, D. G.] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA. [Wang, Y. J.; Fu, J. M.] Shanghai Univ, Sch Environm & Chem Engn, Inst Environm Pollut & Hlth, Shanghai 200444, Peoples R China. [Jang, C. J.] US EPA, Off Air Qual Planning & Stand, Res Triangle Pk, NC 27711 USA. RP Chen, CH (reprint author), Shanghai Acad Environm Sci, Shanghai 200233, Peoples R China. EM chench@saes.sh.cn RI Xiongfei, Zhao/G-7690-2015; Huang, Cheng/I-7099-2015; OI Streets, David/0000-0002-0223-1350 FU Chinese National Key Technology RD Program [2009BAK43B33] FX This study was supported by the "Chinese National Key Technology R&D Program" via grants 2009BAK43B33. The authors would like to thank US EPA for providing the CMAQ model code, full model documentation, and assistance with model set-up and running. We also appreciate the suggestions made by the two kind reviewers that helped greatly to improve this paper. NR 50 TC 56 Z9 64 U1 4 U2 87 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 4 BP 1621 EP 1639 DI 10.5194/acp-11-1621-2011 PG 19 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 727JW UT WOS:000287795700016 ER PT J AU Zhao, C Liu, X Leung, LR Hagos, S AF Zhao, C. Liu, X. Leung, L. Ruby Hagos, S. TI Radiative impact of mineral dust on monsoon precipitation variability over West Africa SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID AEROSOL OPTICAL-PROPERTIES; ATMOSPHERIC ICE NUCLEI; IMAGING SPECTRORADIOMETER; CLIMATE MODEL; SAHARAN DUST; AERONET; WRF; CAMPAIGN; LONGWAVE; CYCLE AB The radiative forcing of dust and its impact on precipitation over the West Africa monsoon (WAM) region is simulated using a coupled meteorology and aerosol/chemistry model (WRF-Chem). During the monsoon season, dust is a dominant contributor to aerosol optical depth (AOD) over West Africa. In the control simulation, on 24-h domain average, dust has a cooling effect (-6.11 Wm(-2)) at the surface, a warming effect (6.94 Wm(-2)) in the atmosphere, and a relatively small TOA forcing (0.83 Wm(-2)). Dust modifies the surface energy budget and atmospheric diabatic heating. As a result, atmospheric stability is increased in the daytime and reduced in the nighttime, leading to a reduction of late afternoon precipitation by up to 0.14 mm/h (25%) and an increase of nocturnal and early morning precipitation by up to 0.04 mm/h (45%) over the WAM region. Dust-induced reduction of diurnal precipitation variation improves the simulated diurnal cycle of precipitation when compared to measurements. However, daily precipitation is only changed by a relatively small amount (-0.17 mm/day or -4%). The dust-induced change of WAM precipitation is not sensitive to interannual monsoon variability. On the other hand, sensitivity simulations with weaker to stronger absorbing dust (in order to represent the uncertainty in dust solar absorptivity) show that, at the lower atmosphere, dust longwave warming effect in the nighttime surpasses its shortwave cooling effect in the daytime; this leads to a less stable atmosphere associated with more convective precipitation in the nighttime. As a result, the dust-induced change of daily WAM precipitation varies from a significant reduction of -0.52 mm/day (-12%, weaker absorbing dust) to a small increase of 0.03 mm/day (1%, stronger absorbing dust). This variation originates from the competition between dust impact on daytime and nighttime precipitation, which depends on dust shortwave absorption. Dust reduces the diurnal variation of precipitation regardless of its absorptivity, but more reduction is associated with stronger absorbing dust. C1 [Zhao, C.; Liu, X.; Leung, L. Ruby; Hagos, S.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. RP Zhao, C (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. EM chun.zhao@pnl.gov RI Zhao, Chun/A-2581-2012; hagos, samson /K-5556-2012; Liu, Xiaohong/E-9304-2011 OI Zhao, Chun/0000-0003-4693-7213; Liu, Xiaohong/0000-0002-3994-5955 FU Department of Energy; Office of Science of the US Department of Energy [DE-AC02-05CH11231]; Battelle Memorial Institute [DE-AC06-76RLO330 1830] FX This study is supported by the Department of Energy Earth System Modeling Program Investigations on the Magnitude and Probabilities of Abrupt Climate TransitionS (IMPACTS) project. This research used computing resources from the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. Pacific Northwest National Laboratory is operated for the US DOE by Battelle Memorial Institute under contract DE-AC06-76RLO330 1830. NR 56 TC 62 Z9 64 U1 1 U2 25 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 5 BP 1879 EP 1893 DI 10.5194/acp-11-1879-2011 PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 734VS UT WOS:000288368900003 ER PT J AU Cappa, CD Wilson, KR AF Cappa, C. D. Wilson, K. R. TI Evolution of organic aerosol mass spectra upon heating: implications for OA phase and partitioning behavior SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID ALPHA-PINENE; VOLATILITY MEASUREMENTS; BIOGENIC HYDROCARBONS; HETEROGENEOUS REACTION; MOLECULAR COMPOSITION; EVAPORATION KINETICS; MODEL SYSTEM; OXIDATION; PARTICLES; PRODUCTS AB Vacuum Ultraviolet (VUV) photoionization mass spectrometry has been used to measure the evolution of chemical composition for two distinct organic aerosol types as they are passed through a thermodenuder at different temperatures. The two organic aerosol types considered are primary lubricating oil (LO) aerosol and secondary aerosol from the alpha-pinene + O-3 reaction (alpha P). The evolution of the VUV mass spectra for the two aerosol types with temperature are observed to differ dramatically. For LO particles, the spectra exhibit distinct changes with temperature in which the lower m/z peaks, corresponding to compounds with higher vapor pressures, disappear more rapidly than the high m/z peaks. In contrast, the alpha P aerosol spectrum is essentially unchanged by temperature even though the particles experience significant mass loss due to evaporation. The variations in the LO spectra are found to be quantitatively in agreement with expectations from absorptive partitioning theory whereas the alpha P spectra suggest that the evaporation of alpha P derived aerosol appears to not be governed by partitioning theory. We postulate that this difference arises from diffusivity within the alpha P particles being sufficiently slow that they do not exhibit the expected liquid-like behavior and perhaps exist in a glassy state. To reconcile these observations with decades of aerosol growth measurements, which indicate that OA formation is described by equilibrium partitioning, we present a conceptual model wherein the secondary OA is formed and then rapidly converted from an absorbing form to a non-absorbing form. The results suggest that, although OA growth may be describable by equilibrium partitioning theory, the properties of organic aerosol once formed may differ significantly from the properties determined in the equilibrium framework. C1 [Cappa, C. D.] Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA. [Wilson, K. R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Cappa, CD (reprint author), Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA. EM cdcappa@ucdavis.edu FU Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231] FX The authors thank Jared Smith for his help in executing the experiments, Paul Ziemann, Jesse Kroll and Tim Onasch for use of the thermodenuder, the staff at the Chemical Dynamics Beamline for experimental assistance and Andrew Grieshop and Allen Robinson for useful discussions. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 65 TC 104 Z9 104 U1 7 U2 64 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 5 BP 1895 EP 1911 DI 10.5194/acp-11-1895-2011 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 734VS UT WOS:000288368900004 ER PT J AU Qian, Y Flanner, MG Leung, LR Wang, W AF Qian, Y. Flanner, M. G. Leung, L. R. Wang, W. TI Sensitivity studies on the impacts of Tibetan Plateau snowpack pollution on the Asian hydrological cycle and monsoon climate SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID P 5079 M; SUMMER MONSOON; CARBONACEOUS PARTICLES; GLOBAL CLIMATE; AEROSOL; COVER; CHINA; GLACIERS; ALBEDO; MODEL AB The Tibetan Plateau (TP) has long been identified to be critical in regulating the Asian monsoon climate and hydrological cycle. In this modeling study a series of numerical experiments with a global climate model are designed to simulate radiative effect of black carbon (BC) and dust in snow, and to assess the relative impacts of anthropogenic CO2 and carbonaceous particles in the atmosphere and snow on the snowpack over the TP and subsequent impacts on the Asian monsoon climate and hydrological cycle. Simulations results show a large BC content in snow over the TP, especially the southern slope. Because of the high aerosol content in snow and large incident solar radiation in the low latitude and high elevation, the TP exhibits the largest surface radiative flux changes induced by aerosols (e.g. BC, Dust) in snow compared to any other snow-covered regions in the world. C1 [Qian, Y.; Leung, L. R.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Flanner, M. G.] Univ Michigan, Ann Arbor, MI 48109 USA. [Wang, W.] NOAA, Natl Ctr Environm Predict, Camp Springs, MD USA. RP Qian, Y (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM yun.qian@pnl.gov RI Flanner, Mark/C-6139-2011; qian, yun/E-1845-2011; Wang, Weiguo/B-4948-2009 OI Flanner, Mark/0000-0003-4012-174X; FU US Department of Energy's Office of Science Biological and Environmental Research; China Ministry of Science and Technology; NSF [ATM-0852775]; DOE Office of Science; Battelle Memorial Institute [DE-AC06-76RLO1830] FX We thank Jin-Ho Yoon for his internal review and constructive comments. This research is sponsored by the US Department of Energy's Office of Science Biological and Environmental Research under a bilateral agreement with the China Ministry of Science and Technology on regional climate research. Mark Flanner's work in this study is supported by NSF ATM-0852775. This study is also partly supported by the DOE Office of Science (BER)'s Cryosphere Project. PNNL is operated for the US DOE by Battelle Memorial Institute under contract DE-AC06-76RLO1830. NR 78 TC 90 Z9 95 U1 3 U2 45 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 5 BP 1929 EP 1948 DI 10.5194/acp-11-1929-2011 PG 20 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 734VS UT WOS:000288368900006 ER PT J AU Bon, DM Ulbrich, IM de Gouw, JA Warneke, C Kuster, WC Alexander, ML Baker, A Beyersdorf, AJ Blake, D Fall, R Jimenez, JL Herndon, SC Huey, LG Knighton, WB Ortega, J Springston, S Vargas, O AF Bon, D. M. Ulbrich, I. M. de Gouw, J. A. Warneke, C. Kuster, W. C. Alexander, M. L. Baker, A. Beyersdorf, A. J. Blake, D. Fall, R. Jimenez, J. L. Herndon, S. C. Huey, L. G. Knighton, W. B. Ortega, J. Springston, S. Vargas, O. TI Measurements of volatile organic compounds at a suburban ground site (T1) in Mexico City during the MILAGRO 2006 campaign: measurement comparison, emission ratios, and source attribution SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID PROTON-TRANSFER-REACTION; POSITIVE MATRIX FACTORIZATION; REACTION-MASS-SPECTROMETRY; POLYCYCLIC AROMATIC-HYDROCARBONS; FACTOR-ANALYTIC MODELS; URBAN BACKGROUND SITE; ENGLAND AIR-QUALITY; PTR-MS MEASUREMENTS; SOURCE APPORTIONMENT; SOURCE IDENTIFICATION AB Volatile organic compound (VOC) mixing ratios were measured with two different instruments at the T1 ground site in Mexico City during the Megacity Initiative: Local and Global Research Observations (MILAGRO) campaign in March of 2006. A gas chromatograph with flame ionization detector (GC-FID) quantified 18 light alkanes, alkenes and acetylene while a proton-transfer-reaction ion-trap mass spectrometer (PIT-MS) quantified 12 VOC species including oxygenated VOCs (OVOCs) and aromatics. A GC separation system was used in conjunction with the PIT-MS (GC-PIT-MS) to evaluate PIT-MS measurements and to aid in the identification of unknown VOCs. The VOC measurements are also compared to simultaneous canister samples and to two independent proton-transfer-reaction mass spectrometers (PTR-MS) deployed on a mobile and an airborne platform during MILAGRO. VOC diurnal cycles demonstrate the large influence of vehicle traffic and liquid propane gas (LPG) emissions during the night and photochemical processing during the afternoon. Emission ratios for VOCs and OVOCs relative to CO are derived from early-morning measurements. Average emission ratios for non-oxygenated species relative to CO are on average a factor of similar to 2 higher than measured for US cities. Emission ratios for OVOCs are estimated and compared to literature values the northeastern US and to tunnel studies in California. Positive matrix factorization analysis (PMF) is used to provide insight into VOC sources and processing. Three PMF factors were distinguished by the analysis including the emissions from vehicles, the use of liquid propane gas and the production of secondary VOCs + long-lived species. Emission ratios to CO calculated from the results of PMF analysis are compared to emission ratios calculated directly from measurements. The total PIT-MS signal is summed to estimate the fraction of identified versus unidentified VOC species. C1 [Bon, D. M.; de Gouw, J. A.; Warneke, C.; Kuster, W. C.] NOAA Earth Syst Res Lab, Boulder, CO 80305 USA. [Bon, D. M.; Ulbrich, I. M.; de Gouw, J. A.; Warneke, C.; Fall, R.; Jimenez, J. L.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Bon, D. M.; Ulbrich, I. M.; Fall, R.; Jimenez, J. L.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [Alexander, M. L.; Ortega, J.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Baker, A.; Beyersdorf, A. J.; Blake, D.] Univ Calif Irvine, Irvine, CA USA. [Herndon, S. C.] Aerodyne Res Inc, Billerica, MA USA. [Huey, L. G.; Vargas, O.] Georgia Inst Technol, Atlanta, GA 30332 USA. [Knighton, W. B.] Montana State Univ, Bozeman, MT 59717 USA. [Springston, S.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP de Gouw, JA (reprint author), NOAA Earth Syst Res Lab, Boulder, CO 80305 USA. EM joost.degouw@noaa.gov RI Jimenez, Jose/A-5294-2008; Warneke, Carsten/E-7174-2010; Baker, Angela /A-1666-2011; Kuster, William/E-7421-2010; Beyersdorf, Andreas/N-1247-2013; de Gouw, Joost/A-9675-2008; Manager, CSD Publications/B-2789-2015; OI Jimenez, Jose/0000-0001-6203-1847; Kuster, William/0000-0002-8788-8588; de Gouw, Joost/0000-0002-0385-1826; Baker, Angela K./0000-0001-7845-422X FU US Environmental Protection Agency [FP-9163901-0]; National Science Foundation [ATM-0516610, ATM-0513035] FX This publication was also developed under a STAR Research Assistance Agreement No. FP-9163901-0 awarded by the US Environmental Protection Agency. It has not been formally reviewed by the EPA. The views expressed in this publication or other work are solely those of its authors. The EPA does not endorse any products or commercial services mentioned in this publication. This work was also financially supported by the National Science Foundation under grants ATM-0516610 and ATM-0513035. NR 74 TC 42 Z9 43 U1 4 U2 66 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 6 BP 2399 EP 2421 DI 10.5194/acp-11-2399-2011 PG 23 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 742YW UT WOS:000288982300001 ER PT J AU Huang, M Carmichael, GR Spak, SN Adhikary, B Kulkarni, S Cheng, Y Wei, C Tang, Y D'Allura, A Wennberg, PO Huey, GL Dibb, JE Jimenez, JL Cubison, MJ Weinheimer, AJ Kaduwela, A Cai, C Wong, M Pierce, RB Al-Saadi, JA Streets, DG Zhang, Q AF Huang, M. Carmichael, G. R. Spak, S. N. Adhikary, B. Kulkarni, S. Cheng, Y. Wei, C. Tang, Y. D'Allura, A. Wennberg, P. O. Huey, G. L. Dibb, J. E. Jimenez, J. L. Cubison, M. J. Weinheimer, A. J. Kaduwela, A. Cai, C. Wong, M. Pierce, R. Bradley Al-Saadi, J. A. Streets, D. G. Zhang, Q. TI Multi-scale modeling study of the source contributions to near-surface ozone and sulfur oxides levels over California during the ARCTAS-CARB period SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID AIR-QUALITY; UNITED-STATES; SOUTHERN CALIFORNIA; EMISSIONS; NOX; SENSITIVITY; HYDROCARBON; DISTRIBUTIONS; VARIABILITY; TROPOSPHERE AB Chronic high surface ozone (O-3) levels and the increasing sulfur oxides (SOx = SO2+SO4) ambient concentrations over South Coast (SC) and other areas of California (CA) are affected by both local emissions and long-range transport. In this paper, multi-scale tracer, full-chemistry and adjoint simulations using the STEM atmospheric chemistry model are conducted to assess the contribution of local emission sourcesto SC O-3 and to evaluate the impacts of transported sulfur and local emissions on the SC sulfur budget-during the ARCTAS-CARB experiment period in 2008. Sensitivity simulations quantify contributions of biogenic and fire emissions to SC O-3 levels. California biogenic and fire emissions contribute 3-4 ppb to near-surface O-3 over SC, with larger contributions to other regions in CA. During a long-range transport event from Asia starting from 22 June, high SOx levels (up to similar to 0.7 ppb of SO2 and similar to 1.3 ppb of SO4) is observed above similar to 6 km, but they did not affect CA surface air quality. The elevated SOx observed at 1-4 km is estimated to enhance surface SOx over SC by similar to 0.25 ppb (upper limit) on similar to 24 June. The near-surface SOx levels over SC during the flight week are attributed mostly to local emissions. Two anthropogenic SOx emission inventories (EIs) from the California Air Resources Board (CARB) and the US Environmental Protection Agency (EPA) are compared and applied in 60 km and 12 km chemical transport simulations, and the results are compared with observations. The CARB EI shows improvements over the National Emission Inventory (NEI) by EPA, but generally underestimates surface SC SOx by about a factor of two. Adjoint sensitivity analysis indicated that SO2 levels at 00:00 UTC (17:00 local time) at six SC surface sites were influenced by previous day maritime emissions over the ocean, the terrestrial emissions over nearby urban areas, and by transported SO2 from the north through both terrestrial and maritime areas. Overall maritime emissions contribute 10-70% of SO2 and 20-60% fine SO4 on-shore and over the most terrestrial areas, with contributions decreasing with inland distance from the coast. Maritime emissions also modify the photochemical environment, shifting O-3 production over coastal SC to more VOC-limited conditions. These suggest an important role for shipping emission controls in reducing fine particle and O-3 concentrations in SC. C1 [Huang, M.; Carmichael, G. R.; Spak, S. N.; Adhikary, B.; Kulkarni, S.; Cheng, Y.; Wei, C.] Univ Iowa, Ctr Global & Reg Environm Res, Iowa City, IA 52242 USA. [Adhikary, B.] Kathmandu Univ, Sch Engn, Dhulikhel, Nepal. [Tang, Y.] NOAA, NOAA NCEP EMC, Camp Springs, MD USA. [D'Allura, A.] ARIANET Srl, Milan, Italy. [Wennberg, P. O.] CALTECH, Dept Environm Sci & Engn, Pasadena, CA 91125 USA. [Wennberg, P. O.] CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA. [Huey, G. L.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. [Dibb, J. E.] Univ New Hampshire, Inst Study Earth Oceans & Space, Durham, NH 03824 USA. [Jimenez, J. L.; Cubison, M. J.] Univ Colorado, Dept Chem, Boulder, CO 80309 USA. [Weinheimer, A. J.] NCAR, Boulder, CO USA. [Kaduwela, A.; Cai, C.] Calif Air Resource Board, Sacramento, CA USA. [Wong, M.] Univ Maryland, Dept Geog, College Pk, MD 20742 USA. [Pierce, R. Bradley] NOAA NESDIS, Madison, WI USA. [Al-Saadi, J. A.] NASA, Langley Res Ctr, Hampton, VA 23665 USA. [Streets, D. G.; Zhang, Q.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Huang, M (reprint author), Univ Iowa, Ctr Global & Reg Environm Res, Iowa City, IA 52242 USA. EM mhuang1@engineering.uiowa.edu RI Jimenez, Jose/A-5294-2008; wei, chao/E-4379-2011; Pierce, Robert Bradley/F-5609-2010; Cheng, Yafang/F-9362-2010; Wennberg, Paul/A-5460-2012; Zhang, Qiang/D-9034-2012; Spak, Scott/B-7331-2008; hui, wanghui/C-5671-2008; OI Jimenez, Jose/0000-0001-6203-1847; Pierce, Robert Bradley/0000-0002-2767-1643; Kaduwela, Ajith/0000-0002-7236-2698; Cheng, Yafang/0000-0003-4912-9879; Spak, Scott/0000-0002-8545-1411; Streets, David/0000-0002-0223-1350 FU NASA [NNX08AH56G, NNX08AD39G] FX We would like to thank the ARCTAS science team and two anonymous reviewers. We thank Tianfeng Chai (NOAA/OAR/ARL) for helping with the STEM adjoint model. This work was supported by a NASA award (NNX08AH56G). Jose L. Jimenez and Michael J. Cubison were supported by NASA NNX08AD39G. The authors would also like to acknowledge NOAA, the US EPA and CARB for support of the ground measurements. The views, opinions, and findings contained in this report are those of the author(s) and should not be construed as an official NOAA or US Government position, policy, or decision. NR 38 TC 16 Z9 16 U1 1 U2 18 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 7 BP 3173 EP 3194 DI 10.5194/acp-11-3173-2011 PG 22 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 750LN UT WOS:000289548200010 ER PT J AU Farmer, DK Perring, AE Wooldridge, PJ Blake, DR Baker, A Meinardi, S Huey, LG Tanner, D Vargas, O Cohen, RC AF Farmer, D. K. Perring, A. E. Wooldridge, P. J. Blake, D. R. Baker, A. Meinardi, S. Huey, L. G. Tanner, D. Vargas, O. Cohen, R. C. TI Impact of organic nitrates on urban ozone production SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID MEXICO-CITY; TROPOSPHERIC OZONE; CARBON-MONOXIDE; NITROGEN-OXIDES; ALKYL NITRATES; AIR-POLLUTION; ISOPRENE; NOX; MODEL; TRANSPORT AB Urban O-3 is produced by photochemical chain reactions that amplify background O-3 in mixtures of gaseous nitrogen oxides (NOx) and organic molecules. Current thinking treats NOx and organics as independent variables that limit O-3 production depending on the NOx to organic ratio; in this paradigm, reducing organics either has no effect or reduces O-3. We describe a theoretical counterexample where NOx and organics are strongly coupled and reducing organics increases O-3 production, and illustrate the example with observations from Mexico City. This effect arises from chain termination in the HOx and NOx cycles via organic nitrate production. We show that reductions in VOC reactivity that inadvertently reduce organic nitrate production rates will be counterproductive without concurrent reductions in NOx or other organics. C1 [Farmer, D. K.; Perring, A. E.; Wooldridge, P. J.; Cohen, R. C.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Cohen, R. C.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Cohen, R. C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Technol Div, Berkeley, CA 94720 USA. [Blake, D. R.; Baker, A.; Meinardi, S.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. [Huey, L. G.; Tanner, D.; Vargas, O.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. RP Farmer, DK (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM rccohen@berkeley.edu RI Baker, Angela /A-1666-2011; Perring, Anne/G-4597-2013; Cohen, Ronald/A-8842-2011; OI Perring, Anne/0000-0003-2231-7503; Cohen, Ronald/0000-0001-6617-7691; Baker, Angela K./0000-0001-7845-422X FU NSF [ATM-0639847, ATM-0511829] FX The authors thank Joost de Gouw from NOAA-ESRL for additional VOC data. This research was funded by NSF grants ATM-0639847 and ATM-0511829. NR 48 TC 32 Z9 32 U1 3 U2 47 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 9 BP 4085 EP 4094 DI 10.5194/acp-11-4085-2011 PG 10 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 764GT UT WOS:000290618600005 ER PT J AU Huang, C Chen, CH Li, L Cheng, Z Wang, HL Huang, HY Streets, DG Wang, YJ Zhang, GF Chen, YR AF Huang, C. Chen, C. H. Li, L. Cheng, Z. Wang, H. L. Huang, H. Y. Streets, D. G. Wang, Y. J. Zhang, G. F. Chen, Y. R. TI Emission inventory of anthropogenic air pollutants and VOC species in the Yangtze River Delta region, China SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID VOLATILE ORGANIC-COMPOUNDS; CARBON EMISSIONS; BLACK CARBON; PART I; NOX; SHANGHAI; GASES; ASIA; SO2; HANGZHOU AB The purpose of this study is to develop an emission inventory for major anthropogenic air pollutants and VOC species in the Yangtze River Delta (YRD) region for the year 2007. A "bottom-up" methodology was adopted to compile the inventory based on major emission sources in the sixteen cities of this region. Results show that the emissions of SO2, NOx, CO, PM10, PM2.5, VOCs, and NH3 in the YRD region for the year 2007 are 2392 kt, 2293 kt, 6697 kt, 3116 kt, 1511 kt, 2767 kt, and 459 kt, respectively. Ethylene, mp-xylene, o-xylene, toluene, 1,2,4-trimethylbenzene, 2,4-dimethylpentane, ethyl benzene, propylene, 1-pentene, and isoprene are the key species contributing 77% to the total ozone formation potential (OFP). The spatial distribution of the emissions shows the emissions and OFPs are mainly concentrated in the urban and industrial areas along the Yangtze River and around Hangzhou Bay. The industrial sources, including power plants other fuel combustion facilities, and non-combustion processes contribute about 97%, 86%, 89%, 91%, and 69% of the total SO2, NOx, PM10, PM2.5, and VOC emissions. Vehicles take up 12.3% and 12.4% of the NOx and VOC emissions, respectively. Regarding OFPs, the chemical industry, domestic use of paint & printing, and gasoline vehicles contribute 38%, 24%, and 12% to the ozone formation in the YRD region. C1 [Huang, C.; Chen, C. H.; Li, L.; Wang, H. L.; Huang, H. Y.; Zhang, G. F.; Chen, Y. R.] Shanghai Acad Environm Sci, Shanghai 200233, Peoples R China. [Cheng, Z.] Tsinghua Univ, Dept Environm Sci & Engn, Beijing 100084, Peoples R China. [Streets, D. G.] Argonne Natl Lab, Argonne, IL 60439 USA. [Wang, Y. J.] Shanghai Univ, Sch Environm & Chem Engn, Shanghai 200444, Peoples R China. RP Huang, C (reprint author), Shanghai Acad Environm Sci, Shanghai 200233, Peoples R China. EM huangc@saes.sh.cn RI Huang, Cheng/I-7099-2015; OI Streets, David/0000-0002-0223-1350 FU Chinese National Key Technology RD Program [2009BAK43B33]; The characteristics of haze and control strategy in the typical areas in China [HY10096784] FX This study was supported by the "Chinese National Key Technology R&D Program" via grants 2009BAK43B33 and "The characteristics of haze and control strategy in the typical areas in China" via grants HY10096784. We would like to show our gratitude to Chinese Research Academy of Environmental Sciences very much for their data support on the study. NR 61 TC 92 Z9 120 U1 32 U2 175 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 9 BP 4105 EP 4120 DI 10.5194/acp-11-4105-2011 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 764GT UT WOS:000290618600007 ER PT J AU Wang, H Rasch, PJ Feingold, G AF Wang, H. Rasch, P. J. Feingold, G. TI Manipulating marine stratocumulus cloud amount and albedo: a process-modelling study of aerosol-cloud-precipitation interactions in response to injection of cloud condensation nuclei SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID LARGE-EDDY SIMULATIONS; SOUTHEAST PACIFIC STRATOCUMULUS; MESOSCALE CELLULAR STRUCTURES; BOUNDARY-LAYER; STRATIFORM CLOUDS; VOCALS-REX; PART II; MICROPHYSICS; ENHANCEMENT; DRIZZLE AB We use a cloud-system-resolving model to study marine-cloud brightening. We examine how injected aerosol particles that act as cloud condensation nuclei (CCN) are transported within the marine boundary layer and how the additional particles in clouds impact cloud microphysical processes, and feedback on dynamics. Results show that the effectiveness of cloud brightening depends strongly on meteorological and background aerosol conditions. Cloud albedo enhancement is very effective in a weakly precipitating boundary layer and in CCN-limited conditions preceded by heavy and/or persistent precipitation. The additional CCN help sustain cloud water by weakening the precipitation substantially in the former case and preventing the boundary layer from collapse in the latter. For a given amount of injected CCN, the injection method (i.e., number and distribution of sprayers) is critical to the spatial distribution of these CCN. Both the areal coverage and the number concentration of injected particles are key players but neither one always emerges as more important than the other. The same amount of injected material is much less effective in either strongly precipitating clouds or polluted clouds, and it is ineffective in a relatively dry boundary layer that supports clouds of low liquid water path. In the polluted case and "dry" case, the CCN injection increases drop number concentration but lowers supersaturation and liquid water path. As a result, the cloud experiences very weak albedo enhancement, regardless of the injection method. C1 [Wang, H.; Rasch, P. J.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Feingold, G.] NOAA Earth Syst Res Lab, Div Chem Sci, Boulder, CO USA. RP Wang, H (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. EM hailong.wang@pnl.gov RI Wang, Hailong/B-8061-2010; Feingold, Graham/B-6152-2009; Manager, CSD Publications/B-2789-2015 OI Wang, Hailong/0000-0002-1994-4402; FU University of Calgary; NOAA FX This research has been funded by the Fund for Innovative Climate and Energy Research (FICER) at the University of Calgary (HW and PJR), and NOAA's Climate Goal program (GF). This does not constitute endorsement of deployment in any form of geoengineering by the funding agencies. We thank John Latham for helpful discussion and comments. Robert Wood and an anonymous referee are thanked for their insightful reviews and valuable comments. NR 33 TC 31 Z9 31 U1 1 U2 26 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 9 BP 4237 EP 4249 DI 10.5194/acp-11-4237-2011 PG 13 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 764GT UT WOS:000290618600016 ER PT J AU Allen, G Coe, H Clarke, A Bretherton, C Wood, R Abel, SJ Barrett, P Brown, P George, R Freitag, S McNaughton, C Howell, S Shank, L Kapustin, V Brekhovskikh, V Kleinman, L Lee, YN Springston, S Toniazzo, T Krejci, R Fochesatto, J Shaw, G Krecl, P Brooks, B McMeeking, G Bower, KN Williams, PI Crosier, J Crawford, I Connolly, P Allan, JD Covert, D Bandy, AR Russell, LM Trembath, J Bart, M McQuaid, JB Wang, J Chand, D AF Allen, G. Coe, H. Clarke, A. Bretherton, C. Wood, R. Abel, S. J. Barrett, P. Brown, P. George, R. Freitag, S. McNaughton, C. Howell, S. Shank, L. Kapustin, V. Brekhovskikh, V. Kleinman, L. Lee, Y-N Springston, S. Toniazzo, T. Krejci, R. Fochesatto, J. Shaw, G. Krecl, P. Brooks, B. McMeeking, G. Bower, K. N. Williams, P. I. Crosier, J. Crawford, I. Connolly, P. Allan, J. D. Covert, D. Bandy, A. R. Russell, L. M. Trembath, J. Bart, M. McQuaid, J. B. Wang, J. Chand, D. TI South East Pacific atmospheric composition and variability sampled along 20 degrees S during VOCALS-REx SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID AEROSOL MASS-SPECTROMETER; MARINE BOUNDARY-LAYER; SECONDARY ORGANIC AEROSOL; STRATOCUMULUS CLOUDS; TROPICAL PACIFIC; HIGH-RESOLUTION; INSTRUMENT; TRANSPORT; AIRBORNE; MODELS AB The VAMOS Ocean-Cloud-Atmosphere-Land Regional Experiment (VOCALS-REx) was conducted from 15 October to 15 November 2008 in the South East Pacific (SEP) region to investigate interactions between land, sea and atmosphere in this unique tropical eastern ocean environment and to improve the skill of global and regional models in representing the region. This study synthesises selected aircraft, ship and surface site observations from VOCALS-REx to statistically summarise and characterise the atmospheric composition and variability of the Marine Boundary Layer (MBL) and Free Troposphere (FT) along the 20 degrees S parallel between 70 degrees W and 85 degrees W. Significant zonal gradients in mean MBL sub-micron aerosol particle size and composition, carbon monoxide, sulphur dioxide and ozone were seen over the campaign, with a generally more variable and polluted coastal environment and a less variable, more pristine remote maritime regime. Gradients in aerosol and trace gas concentrations were observed to be associated with strong gradients in cloud droplet number. The FT was often more polluted in terms of trace gases than the MBL in the mean; however increased variability in the FT composition suggests an episodic nature to elevated concentrations. This is consistent with a complex vertical interleaving of airmasses with diverse sources and hence pollutant concentrations as seen by generalised back trajectory analysis, which suggests contributions from both local and long-range sources. Furthermore, back trajectory analysis demonstrates that the observed zonal gradients both in the boundary layer and the free troposphere are characteristic of marked changes in airmass history with distance offshore - coastal boundary layer airmasses having been in recent contact with the local land surface and remote maritime airmasses having resided over ocean for in excess of ten days. Boundary layer composition to the east of 75 degrees W was observed to be dominated by coastal emissions from sources to the west of the Andes, with evidence for diurnal pumping of the Andean boundary layer above the height of the marine capping inversion. Analysis of intra-campaign variability in atmospheric composition was not found to be significantly correlated with observed low-frequency variability in the large scale flow pattern; campaign-average interquartile ranges of CO, SO2 and O-3 concentrations at all longitudes were observed to dominate over much smaller differences in median concentrations calculated between periods of different flow regimes. The campaign climatology presented here aims to provide a valuable dataset to inform model simulation and future process studies, particularly in the context of aerosol-cloud interaction and further evaluation of dynamical processes in the SEP region for conditions analogous to those during VOCALS-REx. To this end, our results are discussed in terms of coastal, transitional and remote spatial regimes in the MBL and FT and a gridded dataset are provided as a resource. C1 [Allen, G.; Coe, H.; McMeeking, G.; Bower, K. N.; Williams, P. I.; Crosier, J.; Crawford, I.; Connolly, P.; Allan, J. D.] Univ Manchester, Ctr Atmospher Sci, Manchester M13 9PL, Lancs, England. [Clarke, A.; Freitag, S.; McNaughton, C.; Howell, S.; Shank, L.; Kapustin, V.; Brekhovskikh, V.] Univ Hawaii Manoa, Dept Oceanog, Honolulu, HI 96822 USA. [Bretherton, C.; Wood, R.; George, R.; Covert, D.; Chand, D.] Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA. [Abel, S. J.; Barrett, P.; Brown, P.] Met Off, Exeter, Devon, England. [Kleinman, L.; Lee, Y-N; Springston, S.; Wang, J.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Toniazzo, T.] Univ Reading, Dept Meteorol, Reading, Berks, England. [Krejci, R.] Stockholm Univ, Dept Appl Environm Sci ITM, Stockholm, Sweden. [Fochesatto, J.; Shaw, G.] Univ Alaska Fairbanks, Inst Geophys, Fairbanks, AK 99775 USA. [Krecl, P.; Brooks, B.; Bart, M.; McQuaid, J. B.] Univ Leeds, Inst Climate & Atmospher Sci, Leeds LS2 9JT, W Yorkshire, England. [Bandy, A. R.] Drexel Univ, Philadelphia, PA 19104 USA. [Russell, L. M.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. [Trembath, J.] Cranfield Univ, Facil Airborne Atmospher Measurements, Cranfield MK43 0AL, Beds, England. RP Allen, G (reprint author), Univ Manchester, Ctr Atmospher Sci, Manchester M13 9PL, Lancs, England. EM grant.allen@manchester.ac.uk RI McMeeking, Gavin/A-7679-2008; Wang, Jian/G-9344-2011; Krejci, Radovan/L-3257-2013; Brown, Philip/D-9819-2013; Connolly, Paul/A-2024-2012; Crosier, Jonathan/G-8952-2011; Wood, Robert/A-2989-2008; McQuaid, Jim/C-7450-2011; Abel, Steven/H-4880-2012; Allan, James/B-1160-2010; Allen, Grant /A-7737-2013; Coe, Hugh/C-8733-2013 OI McMeeking, Gavin/0000-0001-9782-3713; Krejci, Radovan/0000-0002-9384-9702; Brown, Philip/0000-0003-4643-4923; Connolly, Paul/0000-0002-3294-7405; Wood, Robert/0000-0002-1401-3828; McQuaid, Jim/0000-0001-8702-0415; Abel, Steven/0000-0002-1330-4199; Allan, James/0000-0001-6492-4876; Allen, Grant /0000-0002-7070-3620; FU NERC [NE/F019874/1]; FORMAS agency; European Southern Observatory (ESO) FX We are extremely grateful to the support staff, crew and scientists who helped make the VOCALS-REx a success. These include the PIs, support scientists and crews of the six aircraft platforms (the NSF/NCAR C-130, the UK FAAM BAe-146, the DoE G-1, the CIRPAS Twin Otter, the UK NERC Dornier 228, and, in the 2010 CUpEx phase, the Chilean DGAC King Air), the research vessel NOAA Ronald H. Brown, and the land stations at Iquique and Paposo. The NCAR Earth Observing Laboratory is thanked for their dedication to coordinating and executing field logistics and data archive support for VOCALS Rex. We thank NERC for funding the VOCALS UK contingent to the project (ref: NE/F019874/1) and the NERC Facility for Airborne and Atmospheric Measurment (FAAM) and Direct Flight and Avalon for operational support of the BAe-146 aircraft. We also thank the British Atmospheric Data Centre for archiving of ECMWF operational analysis data. We also thank the FORMAS agency for funding and the European Southern Observatory (ESO) for support of the surface site activities. NR 80 TC 59 Z9 59 U1 0 U2 19 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 11 BP 5237 EP 5262 DI 10.5194/acp-11-5237-2011 PG 26 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 777PT UT WOS:000291636400009 ER PT J AU Grell, G Freitas, SR Stuefer, M Fast, J AF Grell, G. Freitas, S. R. Stuefer, M. Fast, J. TI Inclusion of biomass burning in WRF-Chem: impact of wildfires on weather forecasts SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID POLLUTION MODELING SYSTEM; AEROSOL ACTIVATION; SOUTH-AMERICA; CLOUD; PARAMETERIZATION; REPRESENTATION; FIRE; CHEMISTRY; TRANSPORT; SENSITIVITY AB A plume rise algorithm for wildfires was included in WRF-Chem, and applied to look at the impact of intense wildfires during the 2004 Alaska wildfire season on weather simulations using model resolutions of 10 km and 2 km. Biomass burning emissions were estimated using a biomass burning emissions model. In addition, a 1-D, time-dependent cloud model was used online in WRF-Chem to estimate injection heights as well as the vertical distribution of the emission rates. It was shown that with the inclusion of the intense wildfires of the 2004 fire season in the model simulations, the interaction of the aerosols with the atmospheric radiation led to significant modifications of vertical profiles of temperature and moisture in cloud-free areas. On the other hand, when clouds were present, the high concentrations of fine aerosol (PM(2.5)) and the resulting large numbers of Cloud Condensation Nuclei (CCN) had a strong impact on clouds and cloud microphysics, with decreased precipitation coverage and precipitation amounts during the first 12 h of the integration. During the afternoon, storms were of convective nature and appeared significantly stronger, probably as a result of both the interaction of aerosols with radiation (through an increase in CAPE) as well as the interaction with cloud microphysics. C1 [Grell, G.] NOAA, Earth Syst Res Lab, Boulder, CO 80305 USA. [Grell, G.] Cooperat Inst Res Environm Sci, Boulder, CO 80305 USA. [Freitas, S. R.] INPE, Ctr Weather Forecasting & Climate Studies, Cachoeira Paulista, Brazil. [Stuefer, M.] Univ Alaska, Fairbanks, AK 99701 USA. [Fast, J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Grell, G (reprint author), NOAA, Earth Syst Res Lab, Boulder, CO 80305 USA. EM georg.a.grell@noaa.gov RI Freitas, Saulo/A-2279-2012; grell, georg/B-6234-2015 OI Freitas, Saulo/0000-0002-9879-646X; grell, georg/0000-0001-5214-8742 FU Arctic Region Supercomputing Center (ARSC) at the University of Alaska Fairbanks (UAF); Geophysical Institute of the University of Alaska Fairbanks FX This work has been supported by a grant of HPC resources from the Arctic Region Supercomputing Center (ARSC) at the University of Alaska Fairbanks (UAF) as part of the Department of Defense High Performance Computing Modernization Program, and also by the Geophysical Institute of the University of Alaska Fairbanks. We specifically would like to thank Greg Newby and Anton Kulchitsky from ARSC, and Kevin Engle from the UAF Geographic Information Network of Alaska for their support. Additionally we would like to thank to thank Richard Easter (PNNL) for extending the cloud-aerosol interaction process to the MADE/SORGAM aerosol model, John Brown for providing an internal review, and Ann Reiser for editorial assistance. NR 51 TC 63 Z9 63 U1 5 U2 37 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 11 BP 5289 EP 5303 DI 10.5194/acp-11-5289-2011 PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 777PT UT WOS:000291636400012 ER PT J AU Wang, M Ghan, S Ovchinnikov, M Liu, X Easter, R Kassianov, E Qian, Y Morrison, H AF Wang, M. Ghan, S. Ovchinnikov, M. Liu, X. Easter, R. Kassianov, E. Qian, Y. Morrison, H. TI Aerosol indirect effects in a multi-scale aerosol-climate model PNNL-MMF SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID GENERAL-CIRCULATION MODEL; BULK MICROPHYSICS SCHEME; MICROWAVE IMAGER SSM/I; CLOUD-RESOLVING MODEL; STRATIFORM CLOUDS; SATELLITE DATA; LIQUID WATER; PART I; CONVECTIVE CLOUDS; SHALLOW CUMULUS AB Much of the large uncertainty in estimates of anthropogenic aerosol effects on climate arises from the multi-scale nature of the interactions between aerosols, clouds and dynamics, which are difficult to represent in conventional general circulation models (GCMs). In this study, we use a multi-scale aerosol-climate model that treats aerosols and clouds across multiple scales to study aerosol indirect effects. This multi-scale aerosol-climate model is an extension of a multi-scale modeling framework (MMF) model that embeds a cloud-resolving model (CRM) within each vertical column of a GCM grid. The extension allows a more physically-based treatment of aerosol-cloud interactions in both stratiform and convective clouds on the global scale in a computationally feasible way. Simulated model fields, including liquid water path (LWP), ice water path, cloud fraction, shortwave and longwave cloud forcing, precipitation, water vapor, and cloud droplet number concentration are in reasonable agreement with observations. The new model performs quantitatively similar to the previous version of the MMF model in terms of simulated cloud fraction and precipitation. The simulated change in shortwave cloud forcing from anthropogenic aerosols is -0.77 W m(-2), which is less than half of that (-1.79 W m(-2)) calculated by the host GCM (NCAR CAM5) with traditional cloud parameterizations and is also at the low end of the estimates of other conventional global aerosol-climate models. The smaller forcing in the MMF model is attributed to a smaller (3.9%) increase in LWP from preindustrial conditions (PI) to present day (PD) compared with 15.6% increase in LWP in stratiform clouds in CAM5. The difference is caused by a much smaller response in LWP to a given perturbation in cloud condensation nuclei (CCN) concentrations from PI to PD in the MMF (about one-third of that in CAM5), and, to a lesser extent, by a smaller relative increase in CCN concentrations from PI to PD in the MMF (about 26% smaller than that in CAM5). The smaller relative increase in CCN concentrations in the MMF is caused in part by a smaller increase in aerosol lifetime from PI to PD in the MMF, a positive feedback in aerosol indirect effects induced by cloud lifetime effects from aerosols. The smaller response in LWP to anthropogenic aerosols in the MMF model is consistent with observations and with high resolution model studies, which may indicate that aerosol indirect effects simulated in conventional global climate models are overestimated and point to the need to use global high resolution models, such as MMF models or global CRMs, to study aerosol indirect effects. The simulated total anthropogenic aerosol effect in the MMF is -1.05 W m(-2), which is close to the Murphy et al. (2009) inverse estimate of -1.1 +/- 0.4 W m(-2) (1 sigma) based on the examination of the Earth's energy balance. Further improvements in the representation of ice nucleation and low clouds in MMF are needed to refine the aerosol indirect effect estimate. C1 [Wang, M.; Ghan, S.; Ovchinnikov, M.; Liu, X.; Easter, R.; Kassianov, E.; Qian, Y.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Morrison, H.] Natl Ctr Atmospher Res, Mesoscale & Microscale Meteorol Div, Boulder, CO 80307 USA. RP Wang, M (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. EM minghuai.wang@pnnl.gov RI Ghan, Steven/H-4301-2011; Wang, Minghuai/E-5390-2011; qian, yun/E-1845-2011; Liu, Xiaohong/E-9304-2011 OI Ghan, Steven/0000-0001-8355-8699; Wang, Minghuai/0000-0002-9179-228X; Liu, Xiaohong/0000-0002-3994-5955 FU NASA [NNX07AI56G]; US Department of Energy, Office of Science; Battelle Memorial Institute [DE-AC06-76RLO 1830]; NOAA [NA08OAR4310543]; US DOE ARM [DE-FG02-08ER64574]; NSF Science and Technology Center For Multiscale Modeling of Atmospheric Processes (CMMAP) [ATM-0425247] FX This work is supported by the NASA Interdisciplinary Science Program under grant NNX07AI56G and by the US Department of Energy, Office of Science, Atmospheric System Research program and Scientific Discovery through Advanced Computing (SciDAC) program. The Pacific Northwest National Laboratory (PNNL) is operated for the DOE by Battelle Memorial Institute under contract DE-AC06-76RLO 1830. We thank Duli Chand for his internal review and constructive comments. H. M. was supported by the NOAA grant NA08OAR4310543, US DOE ARM DE-FG02-08ER64574, and the NSF Science and Technology Center For Multiscale Modeling of Atmospheric Processes (CMMAP), managed by Colorado State University under cooperative agreement ATM-0425247. We are also grateful to Johannes Quaas for providing scripts to examine the aerosol/cloud relationships in models in Fig. 6 and for satellite data used in Fig. 11. Three anonymous reviewers provided constructive comments, which help improve the manuscript. NR 94 TC 71 Z9 72 U1 3 U2 42 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 11 BP 5431 EP 5455 DI 10.5194/acp-11-5431-2011 PG 25 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 777PT UT WOS:000291636400020 ER PT J AU Nassar, R Jones, DBA Kulawik, SS Worden, JR Bowman, KW Andres, RJ Suntharalingam, P Chen, JM Brenninkmeijer, CAM Schuck, TJ Conway, TJ Worthy, DE AF Nassar, R. Jones, D. B. A. Kulawik, S. S. Worden, J. R. Bowman, K. W. Andres, R. J. Suntharalingam, P. Chen, J. M. Brenninkmeijer, C. A. M. Schuck, T. J. Conway, T. J. Worthy, D. E. TI Inverse modeling of CO2 sources and sinks using satellite observations of CO2 from TES and surface flask measurements SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID TROPOSPHERIC EMISSION SPECTROMETER; ATMOSPHERIC CARBON-DIOXIDE; REGIONAL-SCALE FLUXES; UPDATED EMISSIONS; INTERANNUAL VARIABILITY; OBSERVING SYSTEMS; TRANSPORT MODEL; NORTH-AMERICA; FOREST; AIRCRAFT AB We infer CO2 surface fluxes using satellite observations of mid-tropospheric CO2 from the Tropospheric Emission Spectrometer (TES) and measurements of CO2 from surface flasks in a time-independent inversion analysis based on the GEOS-Chem model. Using TES CO2 observations over oceans, spanning 40 degrees S-40 degrees N, we find that the horizontal and vertical coverage of the TES and flask data are complementary. This complementarity is demonstrated by combining the datasets in a joint inversion, which provides better constraints than from either dataset alone, when a posteriori CO2 distributions are evaluated against independent ship and aircraft CO2 data. In particular, the joint inversion offers improved constraints in the tropics where surface measurements are sparse, such as the tropical forests of South America. Aggregating the annual surface-to-atmosphere fluxes from the joint inversion for the year 2006 yields -1.13 +/- 0.21 PgC for the global ocean, -2.77 +/- 0.20 PgC for the global land biosphere and -3.90 +/- 0.29 PgC for the total global natural flux (defined as the sum of all biospheric, oceanic, and biomass burning contributions but excluding CO2 emissions from fossil fuel combustion). These global ocean and global land fluxes are shown to be near the median of the broad range of values from other inversion results for 2006. To achieve these results, a bias in TES CO2 in the Southern Hemisphere was assessed and corrected using aircraft flask data, and we demonstrate that our results have low sensitivity to variations in the bias correction approach. Overall, this analysis suggests that future carbon data assimilation systems can benefit by integrating in situ and satellite observations of CO2 and that the vertical information provided by satellite observations of mid-tropospheric CO2 combined with measurements of surface CO2, provides an important additional constraint for flux inversions. C1 [Nassar, R.; Worthy, D. E.] Environm Canada, Div Climate Res, Toronto, ON M3H 5T4, Canada. [Nassar, R.; Jones, D. B. A.] Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. [Kulawik, S. S.; Worden, J. R.; Bowman, K. W.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Andres, R. J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Suntharalingam, P.] Univ E Anglia, Norwich NR4 7TJ, Norfolk, England. [Chen, J. M.] Univ Toronto, Dept Geog, Toronto, ON M5S 2E5, Canada. [Brenninkmeijer, C. A. M.; Schuck, T. J.] Max Planck Inst Chem, Air Chem Div, D-55128 Mainz, Germany. [Conway, T. J.] Natl Ocean & Atmospher Adm, Earth Syst Res Lab, Boulder, CO 80305 USA. RP Nassar, R (reprint author), Environm Canada, Div Climate Res, 4905 Dufferin St, Toronto, ON M3H 5T4, Canada. EM ray.nassar@ec.gc.ca RI ANDRES, ROBERT/B-9786-2012; Brenninkmeijer, Carl/B-6860-2013; Chem, GEOS/C-5595-2014; Jones, Dylan/O-2475-2014; OI Jones, Dylan/0000-0002-1935-3725; Nassar, Ray/0000-0001-6282-1611; Schuck, Tanja/0000-0002-1380-3684 FU Natural Sciences and Engineering Research Council (NSERC) of Canada; Jet Propulsion Laboratory California Institute of Technology FX Work at the University of Toronto was funded by the Natural Sciences and Engineering Research Council (NSERC) of Canada. Work at the Jet Propulsion Laboratory California Institute of Technology was carried out under contract to NASA. We especially thank T. Machida and H. Matsueda of the CONTRAIL project for providing their aircraft CO2 flask data for this work. Thanks to all of those who have contributed to the Carboscope (www.carboscope.eu) and CarbonTracker (www.esrl.noaa.gov/gmd/ccgg/carbontracker) websites for these excellent resources that make CO2 flux inversion results publicly available. Lastly, we thank the anonymous reviewers for their helpful comments and suggestions. NR 90 TC 37 Z9 37 U1 0 U2 20 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 12 BP 6029 EP 6047 DI 10.5194/acp-11-6029-2011 PG 19 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 784UJ UT WOS:000292183400007 ER PT J AU Shrivastava, M Fast, J Easter, R Gustafson, WI Zaveri, RA Jimenez, JL Saide, P Hodzic, A AF Shrivastava, M. Fast, J. Easter, R. Gustafson, W. I., Jr. Zaveri, R. A. Jimenez, J. L. Saide, P. Hodzic, A. TI Modeling organic aerosols in a megacity: comparison of simple and complex representations of the volatility basis set approach SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID URBAN SUPERSITE T0; MEXICO-CITY; MASS-SPECTROMETRY; AIR-QUALITY; SECONDARY; EMISSIONS; SEMIVOLATILE; EVOLUTION; AMBIENT; CAMPAIGN AB The Weather Research and Forecasting model coupled with chemistry (WRF-Chem) is modified to include a volatility basis set (VBS) treatment of secondary organic aerosol formation. The VBS approach, coupled with SAPRC-99 gas-phase chemistry mechanism, is used to model gas-particle partitioning and multiple generations of gas-phase oxidation of organic vapors. In addition to the detailed 9-species VBS, a simplified mechanism using 2 volatility species (2-species VBS) is developed and tested for similarity to the 9-species VBS in terms of both mass and oxygen-to-carbon ratios of organic aerosols in the atmosphere. WRF-Chem results are evaluated against field measurements of organic aerosols collected during the MILAGRO 2006 campaign in the vicinity of Mexico City. The simplified 2-species mechanism reduces the computational cost by a factor of 2 as compared to 9-species VBS. Both ground site and aircraft measurements suggest that the 9-species and 2-species VBS predictions of total organic aerosol mass as well as individual organic aerosol components including primary, secondary, and biomass burning are comparable in magnitude. In addition, oxygen-to-carbon ratio predictions from both approaches agree within 25 %, providing evidence that the 2-species VBS is well suited to represent the complex evolution of organic aerosols. Model sensitivity to amount of anthropogenic semi-volatile and intermediate volatility (S/IVOC) precursor emissions is also examined by doubling the default emissions. Both the emission cases significantly under-predict primary organic aerosols in the city center and along aircraft flight transects. Secondary organic aerosols are predicted reasonably well along flight tracks surrounding the city, but are consistently over-predicted downwind of the city. Also, oxygen-to-carbon ratio predictions are significantly improved compared to prior studies by adding 15% oxygen mass per generation of oxidation; however, all modeling cases still under-predict these ratios downwind as compared to measurements, suggesting a need to further improve chemistry parameterizations of secondary organic aerosol formation. C1 [Shrivastava, M.; Fast, J.; Easter, R.; Gustafson, W. I., Jr.; Zaveri, R. A.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Jimenez, J. L.] Univ Colorado, Boulder, CO 80309 USA. [Saide, P.] Univ Iowa, Ctr Global & Reg Environm Res, Iowa City, IA USA. [Hodzic, A.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. RP Shrivastava, M (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. EM manishkumar.shrivastava@pnl.gov RI Jimenez, Jose/A-5294-2008; Gustafson, William/A-7732-2008; Hodzic, Alma/C-3629-2009; OI Jimenez, Jose/0000-0001-6203-1847; Gustafson, William/0000-0001-9927-1393; Zaveri, Rahul/0000-0001-9874-8807 FU NOAA [NA08OAR4310565]; US DOE, Office of Biological and Environmental Research (OBER) at Pacific Northwest National Laboratory (PNNL) [DE-AC06-76RLO 1830] FX We thank Miguel Zavala and Luisa Molina (Molina Center for Energy and the Environment) for providing the most recent MCMA emissions inventory, Christine Wiedinmyer (National Center for Atmospheric Research) for providing the biomass burning inventory, Sebastien Dusanter and Phil Stevens (Indiana Univ.) for OH data, Larry Kleinman (Brookhaven National Laboratory), Manjula Canagaratna (Aerodyne Research Inc.), Lizbeth Alexander (PNNL), and Peter DeCarlo, Allison Aiken, and Ingrid Ulbrich (Univ. of Colorado) for providing AMS data, and Georg Grell and Steven Peckham (NOAA / Earth System Research Laboratory) for their support of WRF-Chem. JLJ was supported by NOAA NA08OAR4310565. This research was supported by the US DOE's Atmospheric Sciences Program of the Office of Biological and Environmental Research (OBER) under Contract DE-AC06-76RLO 1830 at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the US DOE by Battelle Memorial Institute. NR 64 TC 89 Z9 90 U1 3 U2 54 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 13 BP 6639 EP 6662 DI 10.5194/acp-11-6639-2011 PG 24 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 792GE UT WOS:000292728400031 ER PT J AU Nguyen, TB Roach, PJ Laskin, J Laskin, A Nizkorodov, SA AF Nguyen, T. B. Roach, P. J. Laskin, J. Laskin, A. Nizkorodov, S. A. TI Effect of humidity on the composition of isoprene photooxidation secondary organic aerosol SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID H-ATOM TRANSFER; MASS-SPECTROMETRY; PARTICULATE MATTER; HETEROGENEOUS REACTIONS; ATMOSPHERIC CHEMISTRY; CHEMICAL-COMPOSITION; ALPHA-PINENE; HYGROSCOPIC PROPERTIES; ACCRETION REACTIONS; ALKOXY RADICALS AB The effect of relative humidity (RH) on the composition and concentrations of gas-phase products and secondary organic aerosol (SOA) generated from the photooxidation of isoprene under high-NOx conditions was investigated. Experiments were performed with hydrogen peroxide as the OH precursor and in the absence of seed aerosol. The relative yields of most gas-phase products were the same regardless of initial water vapor concentration with exception of hydroxyacetone and glycolaldehyde, which were considerably affected by RH. A significant change was observed in the SOA composition, with many unique condensed-phase products formed under humid (90% RH) vs. dry (< 2% RH) conditions, without any detectable effect on the rate and extent of the SOA mass growth. There is a 40% reduction in the number and relative abundance of distinct particle-phase nitrogen-containing organic compounds (NOC) detected by high resolution mass spectrometry. The suppression of condensation reactions, which produce water as a product, is the most important chemical effect of the increased RH. For example, the total signal from oligomeric esters of 2-methylglyceric acid was reduced by about 60% under humid conditions and the maximum oligomer chain lengths were reduced by 7-11 carbons. Oligomers formed by addition mechanisms, without direct involvement of water, also decreased at elevated RH but to a much smaller extent. The observed reduction in the extent of condensation-type oligomerization at high RH may have substantial impact on the phase characteristics and hygroscopicity of the isoprene aerosol. The reduction in the amount of organic nitrates in the particle phase has implications for understanding the budget of NOC compounds. C1 [Nguyen, T. B.; Nizkorodov, S. A.] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. [Roach, P. J.; Laskin, J.] Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99352 USA. [Laskin, A.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Nizkorodov, SA (reprint author), Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. EM nizkorod@uci.edu RI Nguyen, Tran/E-9849-2012; Laskin, Alexander/I-2574-2012; Laskin, Julia/H-9974-2012; Nizkorodov, Sergey/I-4120-2014 OI Laskin, Alexander/0000-0002-7836-8417; Laskin, Julia/0000-0002-4533-9644; Nizkorodov, Sergey/0000-0003-0891-0052 FU NSF [ATM-0831518, CHE-0909227]; W. R. Wiley Environmental Molecular Sciences Laboratory (EMSL); Office of Biological and Environmental Research at PNNL; Battelle Memorial Institute [DE-AC06-76RL0 1830] FX The UCI group gratefully acknowledges support by the NSF grants ATM-0831518 and CHE-0909227. The PNNL group acknowledges support provided by the intramural research and development program of the W. R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the Office of Biological and Environmental Research and located at PNNL. PNNL is operated for the US Department of Energy by Battelle Memorial Institute under contract no. DE-AC06-76RL0 1830. NR 77 TC 66 Z9 67 U1 9 U2 89 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 14 BP 6931 EP 6944 DI 10.5194/acp-11-6931-2011 PG 14 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 797KI UT WOS:000293125100010 ER PT J AU Liu, Y Wu, W Jensen, MP Toto, T AF Liu, Y. Wu, W. Jensen, M. P. Toto, T. TI Relationship between cloud radiative forcing, cloud fraction and cloud albedo, and new surface-based approach for determining cloud albedo SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID GENERAL-CIRCULATION MODELS; BOUNDARY-LAYER CLOUDS; ATMOSPHERIC RADIATION; MEASUREMENT PROGRAM; BUDGET EXPERIMENT; CLIMATE RESEARCH; SOLAR-RADIATION; EARTHS ALBEDO; ARM CART; ABSORPTION AB This paper focuses on three interconnected topics: (1) quantitative relationship between surface shortwave cloud radiative forcing, cloud fraction, and cloud albedo; (2) surface-based approach for measuring cloud albedo; (3) multiscale (diurnal, annual and inter-annual) variations and covariations of surface shortwave cloud radiative forcing, cloud fraction, and cloud albedo. An analytical expression is first derived to quantify the relationship between cloud radiative forcing, cloud fraction, and cloud albedo. The analytical expression is then used to deduce a new approach for inferring cloud albedo from concurrent surface-based measurements of downwelling surface shortwave radiation and cloud fraction. High-resolution decade-long data on cloud albedos are obtained by use of this surface-based approach over the US Department of Energy's Atmospheric Radiaton Measurement (ARM) Program at the Great Southern Plains (SGP) site. The surface-based cloud albedos are further compared against those derived from the coincident GOES satellite measurements. The three long-term (19972009) sets of hourly data on shortwave cloud radiative forcing, cloud fraction and cloud albedo collected over the SGP site are analyzed to explore the multiscale (diurnal, annual and inter-annual) variations and covariations. The analytical formulation is useful for diagnosing deficiencies of cloud-radiation parameterizations in climate models. C1 [Liu, Y.; Wu, W.; Jensen, M. P.; Toto, T.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Liu, Y (reprint author), Brookhaven Natl Lab, Bldg 815E, Upton, NY 11973 USA. EM lyg@bnl.gov RI Liu, Yangang/H-6154-2011; Wu, Wei/D-6766-2013 FU Climate System Modeling (ESM); US Department of Energy FX This work is supported by the Climate System Modeling (ESM) via the FASTER project (www.bnl.gov/esm) and Atmospheric Science Research (ASR) programs of the US Department of Energy. The data are obtained from the ARM website (http://www.archive.arm.gov/armlogin/login.jsp). Peter H. Daum read the manuscript and provides valuable comments. Discussion with Drs. Wuyin Lin, Andy Vogelmann and Warren Wiscombe at the Brookhaven National Laboratory are appreciated. The comments from the anonymous reviewers help improve the manuscript. NR 68 TC 17 Z9 18 U1 2 U2 12 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 14 BP 7155 EP 7170 DI 10.5194/acp-11-7155-2011 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 797KI UT WOS:000293125100024 ER PT J AU Kazil, J Wang, H Feingold, G Clarke, AD Snider, JR Bandy, AR AF Kazil, J. Wang, H. Feingold, G. Clarke, A. D. Snider, J. R. Bandy, A. R. TI Modeling chemical and aerosol processes in the transition from closed to open cells during VOCALS-REx SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID MARINE BOUNDARY-LAYER; CLOUD CONDENSATION NUCLEI; ABSORPTION CROSS-SECTIONS; LARGE-EDDY SIMULATIONS; QUANTUM YIELDS; SULFURIC-ACID; GAS-PHASE; PARTICLE NUCLEATION; CELLULAR STRUCTURES; ATMOSPHERIC SULFUR AB Chemical and aerosol processes in the transition from closed-to open-cell circulation in the remote, cloudy marine boundary layer are explored. It has previously been shown that precipitation can initiate a transition from the closed-to the open-cellular state, but that the boundary layer cannot maintain this open-cell state without a resupply of cloud condensation nuclei (CCN). Potential sources of CCN include wind-driven production of sea salt from the ocean, nucleation from the gas phase, and entrainment from the free troposphere. In order to investigate CCN sources in the marine boundary layer and their role in supplying new particles, we have coupled in detail chemical, aerosol, and cloud processes in the WRF/Chem model, and added state-of-the-art representations of sea salt emissions and aerosol nucleation. We conduct numerical simulations of the marine boundary layer in the transition from a closed-to an open-cell state. Results are compared with observations in the Southeast Pacific boundary layer during the VAMOS Ocean-Cloud-Atmosphere-Land Study Regional Experiment (VOCALS-REx). The transition from the closed-to the open-cell state generates conditions that are conducive to nucleation by forming a cloud-scavenged, ultra-clean layer below the inversion base. Open cell updrafts loft dimethyl sulfide from the ocean surface into the ultra-clean layer, where it is oxidized during daytime to SO2 and subsequently to H2SO4. Low H2SO4 condensation sink values in the ultra-clean layer allow H2SO4 to rise to concentrations at which aerosol nucleation produces new aerosol in significant numbers. The existence of the ultra-clean layer is confirmed by observations. We find that the observed DMS flux from the ocean in the VOCALS-REx region can support a nucleation source of aerosol in open cells that exceeds sea salt emissions in terms of the number of particles produced. The freshly nucleated, nanometer-sized aerosol particles need, however, time to grow to sizes large enough to act as CCN. In contrast, mechanical production of particles from the ocean surface by near-surface winds provides a steady source of larger particles that are effective CCN at a rate exceeding a threshold for maintenance of open-cell circulation. Entrainment of aerosol from the free troposphere contributes significantly to boundary layer aerosol for the considered VOCALS-REx case, but less than sea salt aerosol emissions. C1 [Kazil, J.; Feingold, G.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Kazil, J.; Feingold, G.] NOAA, Earth Syst Res Lab, Div Chem Sci, Boulder, CO USA. [Wang, H.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Clarke, A. D.] Univ Hawaii, Sch Ocean & Earth Sci & Technol, Honolulu, HI 96822 USA. [Snider, J. R.] Univ Wyoming, Dept Atmospher Sci, Laramie, WY 82071 USA. [Bandy, A. R.] Drexel Univ, Dept Chem, Philadelphia, PA 19104 USA. RP Kazil, J (reprint author), Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. EM jan.kazil@noaa.gov RI Feingold, Graham/B-6152-2009; Snider, Jefferson/F-9175-2016; Manager, CSD Publications/B-2789-2015; Wang, Hailong/B-8061-2010; Kazil, Jan/B-7652-2013 OI Snider, Jefferson/0000-0002-9318-1343; Wang, Hailong/0000-0002-1994-4402; Kazil, Jan/0000-0003-3271-2451 FU National Oceanic and Atmospheric Administration's Climate Goal (NOAA OAR Climate Program Office) [NA08OAR4310566]; National Science Foundation [ATM-0745368, ATM-0745986, ATM-0749088, ATM-0241611, ATM-0526341, ATM-0745337] FX This work was supported by the National Oceanic and Atmospheric Administration's Climate Goal (NOAA OAR Climate Program Office grant NA08OAR4310566). The aircraft measurements of aerosol concentration and composition were supported by the National Science Foundation grants ATM-0745368 and ATM-0745986; the aircraft sulfur dioxide and DMS measurements were supported by the National Science Foundation grant ATM-0749088. We appreciate the use of the shipboard DMS flux data generated by the Huebert group at the University of Hawaii, with support from the National Science Foundation grants ATM-0241611, ATM-0526341, and ATM-0745337. The C-130 aircraft time was provided by the National Center for Atmospheric Research (NCAR) which is sponsored by the National Science Foundation. We thank the team of scientists, engineers, and support staff for their efforts in making VOCALS-REx a great success; Robert Wood (University of Washington) for providing assistance in interpreting VOCALS-REx data, and A. R. Ravishankara (NOAA ESRL Chemical Sciences Division) for helpful discussions. The NOAA ESRL High Performance Computing Systems team is gratefully acknowledged for computational and technical support. NR 110 TC 30 Z9 30 U1 0 U2 25 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 15 BP 7491 EP 7514 DI 10.5194/acp-11-7491-2011 PG 24 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 806RA UT WOS:000293826500006 ER PT J AU Huneeus, N Schulz, M Balkanski, Y Griesfeller, J Prospero, J Kinne, S Bauer, S Boucher, O Chin, M Dentener, F Diehl, T Easter, R Fillmore, D Ghan, S Ginoux, P Grini, A Horowitz, L Koch, D Krol, MC Landing, W Liu, X Mahowald, N Miller, R Morcrette, JJ Myhre, G Penner, J Perlwitz, J Stier, P Takemura, T Zender, CS AF Huneeus, N. Schulz, M. Balkanski, Y. Griesfeller, J. Prospero, J. Kinne, S. Bauer, S. Boucher, O. Chin, M. Dentener, F. Diehl, T. Easter, R. Fillmore, D. Ghan, S. Ginoux, P. Grini, A. Horowitz, L. Koch, D. Krol, M. C. Landing, W. Liu, X. Mahowald, N. Miller, R. Morcrette, J. -J. Myhre, G. Penner, J. Perlwitz, J. Stier, P. Takemura, T. Zender, C. S. TI Global dust model intercomparison in AeroCom phase I SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID GENERAL-CIRCULATION MODEL; ATMOSPHERIC IRON DEPOSITION; LAST GLACIAL MAXIMUM; MINERAL DUST; AEROSOL DIRECT; TROPOSPHERIC CHEMISTRY; OPTICAL-PROPERTIES; GODDARD-INSTITUTE; NORTH-ATLANTIC; SULFUR CYCLE AB This study presents the results of a broad intercomparison of a total of 15 global aerosol models within the AeroCom project. Each model is compared to observations related to desert dust aerosols, their direct radiative effect, and their impact on the biogeochemical cycle, i.e., aerosol optical depth (AOD) and dust deposition. Additional com parisons to Angstrom exponent (AE), coarse mode AOD and dust surface concentrations are included to extend the assessment of model performance and to identify common biases present in models. These data comprise a benchmark dataset that is proposed for model inspection and future dust model development. There are large differences among the global models that simulate the dust cycle and its impact on climate. In general, models simulate the climatology of vertically integrated parameters (AOD and AE) within a factor of two whereas the total deposition and surface concentration are reproduced within a factor of 10. In addition, smaller mean normalized bias and root mean square errors are obtained for the climatology of AOD and AE than for total deposition and surface concentration. Characteristics of the datasets used and their uncertainties may influence these differences. Large uncertainties still exist with respect to the deposition fluxes in the southern oceans. Further measurements and model studies are necessary to assess the general model performance to reproduce dust deposition in ocean regions sensible to iron contributions. Models overestimate the wet deposition in regions dominated by dry deposition. They generally simulate more realistic surface concentration at stations downwind of the main sources than at remote ones. Most models simulate the gradient in AOD and AE between the different dusty regions. However the seasonality and magnitude of both variables is better simulated at African stations than Middle East ones. The models simulate the offshore transport of West Africa throughout the year but they overestimate the AOD and they transport too fine particles. The models also reproduce the dust transport across the Atlantic in the summer in terms of both AOD and AE but not so well in winter-spring nor the southward displacement of the dust cloud that is responsible of the dust transport into South America. Based on the dependency of AOD on aerosol burden and size distribution we use model bias with respect to AOD and AE to infer the bias of the dust emissions in Africa and the Middle East. According to this analysis we suggest that a range of possible emissions for North Africa is 400 to 2200 Tg yr(-1) and in the Middle East 26 to 526 Tg yr(-1) C1 [Huneeus, N.; Schulz, M.; Balkanski, Y.; Griesfeller, J.] IPSL, Lab Sci Climat & Environm, CEA CNRS UVSQ, Gif Sur Yvette, France. [Schulz, M.; Griesfeller, J.] Inst Meteorol, Oslo, Norway. [Prospero, J.] Univ Miami, Rosenstiel Sch Marine & Atmospher Sci, Miami, FL 33149 USA. [Kinne, S.] Max Planck Inst Meteorol, Hamburg, Germany. [Bauer, S.; Koch, D.] Columbia Univ, Earth Inst, New York, NY USA. [Bauer, S.; Koch, D.; Miller, R.; Perlwitz, J.] NASA, Goddard Inst Space Studies, New York, NY 10025 USA. [Koch, D.] US DOE, Washington, DC USA. [Boucher, O.] Hadley Ctr, Met Off, Exeter, Devon, England. [Chin, M.; Diehl, T.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Diehl, T.] Univ Space Res Assoc, Columbia, MD USA. [Easter, R.; Ghan, S.; Liu, X.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Fillmore, D.] NCAR, Boulder, CO USA. [Ginoux, P.; Horowitz, L.] NOAA, Geophys Fluid Dynam Lab, Princeton, NJ USA. [Grini, A.; Myhre, G.] Univ Oslo, Dept Geosci, Oslo, Norway. [Grini, A.] Kongsberg Oil & Gas Technol, Kongsberg, Norway. [Krol, M. C.] Univ Utrecht, Inst Marine & Atmospher Res, Utrecht, Netherlands. [Krol, M. C.] Wageningen Univ, Wageningen, Netherlands. [Landing, W.] Florida State Univ, Dept Earth Ocean & Atmospher Sci, Tallahassee, FL 32306 USA. [Liu, X.; Penner, J.] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA. [Mahowald, N.] Cornell Univ, Dept Earth & Atmospher Sci, Ithaca, NY USA. [Miller, R.; Perlwitz, J.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY USA. [Morcrette, J. -J.] European Ctr Medium Range Weather Forecasts, Reading RG2 9AX, Berks, England. [Myhre, G.] Ctr Int Climate & Environm Res Oslo CICERO, Oslo, Norway. [Stier, P.] Univ Oxford, Dept Phys, Oxford OX1 2JD, England. [Takemura, T.] Kyushu Univ, Res Inst Appl Mech, Fukuoka 812, Japan. [Zender, C. S.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA USA. RP Huneeus, N (reprint author), IPSL, Lab Sci Climat & Environm, CEA CNRS UVSQ, Gif Sur Yvette, France. EM nicolas.huneeus@lsce.ipsl.fr RI Horowitz, Larry/D-8048-2014; Liu, Xiaohong/E-9304-2011; Balkanski, Yves/A-6616-2011; Bauer, Susanne/P-3082-2014; Kyushu, RIAM/F-4018-2015; Myhre, Gunnar/A-3598-2008; Schulz, Michael/A-6930-2011; U-ID, Kyushu/C-5291-2016; Huneeus, Nicolas/J-4994-2016; Ginoux, Paul/C-2326-2008; Boucher, Olivier/J-5810-2012; Prospero, Joseph/E-9436-2011; Stier, Philip/B-2258-2008; Ghan, Steven/H-4301-2011; Zender, Charles/D-4485-2012; Takemura, Toshihiko/C-2822-2009; Miller, Ron/E-1902-2012; Boucher, Olivier/K-7483-2012; Chin, Mian/J-8354-2012; Mahowald, Natalie/D-8388-2013; Penner, Joyce/J-1719-2012; Krol, Maarten/E-3414-2013 OI Horowitz, Larry/0000-0002-5886-3314; Liu, Xiaohong/0000-0002-3994-5955; Balkanski, Yves/0000-0001-8241-2858; Myhre, Gunnar/0000-0002-4309-476X; Schulz, Michael/0000-0003-4493-4158; Prospero, Joseph/0000-0003-3608-6160; Huneeus, Nicolas/0000-0002-6214-5518; Ginoux, Paul/0000-0003-3642-2988; Boucher, Olivier/0000-0003-2328-5769; Stier, Philip/0000-0002-1191-0128; Ghan, Steven/0000-0001-8355-8699; Zender, Charles/0000-0003-0129-8024; Takemura, Toshihiko/0000-0002-2859-6067; Boucher, Olivier/0000-0003-2328-5769; Mahowald, Natalie/0000-0002-2873-997X; FU European Commission under EU [218793]; DECC; DECC/Defra [GA01101]; US Department of Energy, Office of Science; NASA [NNX07AI56G]; Battelle Memorial Institute [DE-AC06-76RLO 1830] FX The authors would like to thank two reviewers for their useful comments that contributed to improve the manuscript. In addition we thank the AERONET program for establishing and maintaining the used sites. This study was co-funded by the European Commission under the EU Seventh Research Framework Program (grant agreement No 218793, MACC). O. Boucher was supported by the Joint DECC and Defra Integrated Climate Programme, DECC/Defra (GA01101). S. Ghan and R. Easter were funded by the US Department of Energy, Office of Science, Scientific Discovery through Advanced Computing (SciDAC) program and by the NASA Interdisciplinary Science Program under grant NNX07AI56G. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC06-76RLO 1830. NR 99 TC 230 Z9 234 U1 6 U2 87 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 15 BP 7781 EP 7816 DI 10.5194/acp-11-7781-2011 PG 36 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 806RA UT WOS:000293826500024 ER PT J AU Chen, YC Xue, L Lebo, ZJ Wang, H Rasmussen, RM Seinfeld, JH AF Chen, Y. -C. Xue, L. Lebo, Z. J. Wang, H. Rasmussen, R. M. Seinfeld, J. H. TI A comprehensive numerical study of aerosol-cloud-precipitation interactions in marine stratocumulus SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID LARGE-EDDY SIMULATION; TOPPED BOUNDARY-LAYERS; SOUTHEAST PACIFIC STRATOCUMULUS; MESOSCALE CELLULAR STRUCTURES; CAPPED MIXED LAYERS; DIURNAL CYCLE; NUMBER CONCENTRATION; STRATIFORM CLOUDS; DETAILED MICROPHYSICS; COLLECTION BREAKUP AB Three-dimensional large-eddy simulations (LES) with detailed bin-resolved microphysics are performed to explore the diurnal variation of marine stratocumulus (MSc) clouds under clean and polluted conditions. The sensitivity of the aerosol-cloud-precipitation interactions to variation of sea surface temperature, free tropospheric humidity, large-scale divergence rate, and wind speed is assessed. The comprehensive set of simulations corroborates previous studies that (1) with moderate/heavy drizzle, an increase in aerosol leads to an increase in cloud thickness; and (2) with non/light drizzle, an increase in aerosol results in a thinner cloud, due to the pronounced effect on entrainment. It is shown that for higher SST, stronger large-scale divergence, drier free troposphere, or lower wind speed, the cloud thins and precipitation decreases. The sign and magnitude of the Twomey effect, droplet dispersion effect, cloud thickness effect, and cloud optical depth susceptibility to aerosol perturbations (i.e., change in cloud optical depth to change in aerosol number concentration) are evaluated by LES experiments and compared with analytical formulations. The Twomey effect emerges as dominant in total cloud optical depth susceptibility to aerosol perturbations. The dispersion effect, that of aerosol perturbations on the cloud droplet size spectrum, is positive (i.e., increase in aerosol leads to spectral narrowing) and accounts for 3% to 10% of the total cloud optical depth susceptibility at nighttime, with greater influence in heavier drizzling clouds. The cloud thickness effect is negative (i.e., increase in aerosol leads to thinner cloud) for non/light drizzling cloud and positive for a moderate/heavy drizzling clouds; the cloud thickness effect contributes 5% to 22% of the nighttime total cloud susceptibility. Overall, the total cloud optical depth susceptibility ranges from similar to 0.28 to 0.53 at night; an increase in aerosol concentration enhances cloud optical depth, especially with heavier precipitation and in a more pristine environment. During the daytime, the range of magnitude for each effect is more variable owing to cloud thinning and decoupling. The good agreement between LES experiments and analytical formulations suggests that the latter may be useful in evaluations of the total cloud susceptibility. The ratio of the magnitude of the cloud thickness effect to that of the Twomey effect depends on cloud base height and cloud thickness in unperturbed (clean) clouds. C1 [Chen, Y. -C.; Lebo, Z. J.; Seinfeld, J. H.] CALTECH, Div Engn & Appl Sci, Pasadena, CA 91125 USA. [Xue, L.; Rasmussen, R. M.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Wang, H.] Pacific NW Natl Lab, Washington, DC USA. [Seinfeld, J. H.] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. RP Seinfeld, JH (reprint author), CALTECH, Div Engn & Appl Sci, Pasadena, CA 91125 USA. EM seinfeld@caltech.edu RI Wang, Hailong/B-8061-2010; Lebo, Zachary/N-3374-2014; OI Wang, Hailong/0000-0002-1994-4402; Lebo, Zachary/0000-0002-1064-4833; Xue, Lulin/0000-0002-5501-9134 FU office of Naval Research [N00014-10-1-0200]; NCAR; University of Calgary FX This work was supported by office of Naval Research grant N00014-10-1-0200. The authors thank Frank Li, Adrian Hill, and Andreas Zuend for helpful suggestions. LX acknowledges the support of the Advanced Study Program at NCAR. HW thanks the Fund for Innovative Climate and Energy Research (FICER) at the University of Calgary. Computations were carried out on the CITerra Dell Cluster of the Geological and Planetary Sciences Division at Caltech. NR 75 TC 20 Z9 20 U1 1 U2 15 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 18 BP 9749 EP 9769 DI 10.5194/acp-11-9749-2011 PG 21 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 826QL UT WOS:000295368700022 ER PT J AU Lu, Z Zhang, Q Streets, DG AF Lu, Z. Zhang, Q. Streets, D. G. TI Sulfur dioxide and primary carbonaceous aerosol emissions in China and India, 1996-2010 SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID BLACK CARBON; ENERGY-CONSUMPTION; OPTICAL DEPTH; TRACE-P; INTEX-B; INVENTORY; TRENDS; ASIA; COMBUSTION; TRANSPORT AB China and India are the two largest anthropogenic aerosol generating countries in the world. In this study, we develop a new inventory of sulfur dioxide (SO2) and primary carbonaceous aerosol (i.e., black and organic carbon, BC and OC) emissions from these two countries for the period 1996-2010, using a technology-based methodology. Emissions from major anthropogenic sources and open biomass burning are included, and time-dependent trends in activity rates and emission factors are incorporated in the calculation. Year-specific monthly temporal distributions for major sectors and gridded emissions at a resolution of 0.1 degrees x 0.1 degrees distributed by multiple year-by-year spatial proxies are also developed. In China, the interaction between economic development and environmental protection causes large temporal variations in the emission trends. From 1996 to 2000, emissions of all three species showed a decreasing trend (by 9%-17%) due to a slowdown in economic growth, a decline in coal use in non-power sectors, and the implementation of air pollution control measures. With the economic boom after 2000, emissions from China changed dramatically. BC and OC emissions increased by 46% and 33% to 1.85 Tg and 4.03 Tg in 2010. SO2 emissions first increased by 61% to 34.0 Tg in 2006, and then decreased by 9.2% to 30.8 Tg in 2010 due to the wide application of flue-gas desulfurization (FGD) equipment in power plants. Driven by the remarkable energy consumption growth and relatively lax emission controls, emissions from India increased by 70%, 41%, and 35% to 8.81 Tg, 1.02 Tg, and 2.74 Tg in 2010 for SO2, BC, and OC, respectively. Monte Carlo simulations are used to quantify the emission uncertainties. The average 95% confidence intervals (CIs) of SO2, BC, and OC emissions are estimated to be -16%-17%, -43%-93%, and -43%-80% for China, and -15%-16%, -41%-87%, and -44%-92% for India, respectively. Sulfur content, fuel use, and sulfur retention of hard coal and the actual FGD removal efficiency are the main contributors to the uncertainties of SO2 emissions. Biofuel combustion related parameters (i.e., technology divisions, fuel use, and emission factor determinants) are the largest source of OC uncertainties, whereas BC emissions are also sensitive to the parameters of coal combustion in the residential and industrial sectors and the coke-making process. Comparing our results with satellite observations, we find that the trends of estimated emissions in both China and India are in good agreement with the trends of aerosol optical depth (AOD) and SO2 retrievals obtained from different satellites. C1 [Lu, Z.; Streets, D. G.] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA. [Zhang, Q.] Tsinghua Univ, Ctr Earth Syst Sci, Beijing 100084, Peoples R China. RP Lu, Z (reprint author), Argonne Natl Lab, Decis & Informat Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zlu@anl.gov RI Lu, Zifeng/F-3266-2012; Zhang, Qiang/D-9034-2012 OI Streets, David/0000-0002-0223-1350; FU National Aeronautics and Space Administration (NASA) [08-MAP-0143]; Office of Biological and Environmental Research in the US Department of Energy Office of Science; US Department of Energy [DE-AC02-06CH11357] FX This work was primarily funded by the Modeling, Analysis and Predictability (MAP) program of the National Aeronautics and Space Administration (NASA) under Proposal No. 08-MAP-0143, for which we thank David Considine (NASA) and Mian Chin (NASA Goddard Space Flight Center). The India component of the work was partially funded in support of the Ganges Valley Aerosol Experiment (GVAX) by the Office of Biological and Environmental Research in the US Department of Energy Office of Science, for which we are grateful to Ashley Williamson and Bob Vallario. We also thank Professor Tami Bond of the University of Illinois at Urbana-Champaign for providing helpful data sets. Argonne National Laboratory is operated by UChicago Argonne, LLC, under Contract No. DE-AC02-06CH11357 with the US Department of Energy. NR 88 TC 249 Z9 265 U1 28 U2 182 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 18 BP 9839 EP 9864 DI 10.5194/acp-11-9839-2011 PG 26 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 826QL UT WOS:000295368700028 ER PT J AU Worton, DR Goldstein, AH Farmer, DK Docherty, KS Jimenez, JL Gilman, JB Kuster, WC de Gouw, J Williams, BJ Kreisberg, NM Hering, SV Bench, G McKay, M Kristensen, K Glasius, M Surratt, JD Seinfeld, JH AF Worton, D. R. Goldstein, A. H. Farmer, D. K. Docherty, K. S. Jimenez, J. L. Gilman, J. B. Kuster, W. C. de Gouw, J. Williams, B. J. Kreisberg, N. M. Hering, S. V. Bench, G. McKay, M. Kristensen, K. Glasius, M. Surratt, J. D. Seinfeld, J. H. TI Origins and composition of fine atmospheric carbonaceous aerosol in the Sierra Nevada Mountains, California SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID SECONDARY ORGANIC AEROSOL; PONDEROSA PINE PLANTATION; IN-SITU MEASUREMENTS; NON-FOSSIL CARBON; OXIDATION-PRODUCTS; MASS-SPECTROMETRY; CHEMICAL-COMPOSITION; HIGH-RESOLUTION; MEXICO-CITY; AROMATIC-HYDROCARBONS AB In this paper we report chemically resolved measurements of organic aerosol (OA) and related tracers during the Biosphere Effects on Aerosols and Photochemistry Experiment (BEARPEX) at the Blodgett Forest Research Station, California from 15 August-10 October 2007. OA contributed the majority of the mass to the fine atmospheric particles and was predominately oxygenated (OOA). The highest concentrations of OA were during sporadic wildfire influence when aged plumes were impacting the site. In situ measurements of particle phase molecular markers were dominated by secondary compounds and along with gas phase compounds could be categorized into six factors or sources: (1) aged biomass burning emissions and oxidized urban emissions, (2) oxidized urban emissions (3) oxidation products of monoterpene emissions, (4) monoterpene emissions, (5) anthropogenic emissions and (6) local methyl chavicol emissions and oxidation products. There were multiple biogenic components that contributed to OA at this site whose contributions varied diurnally, seasonally and in response to changing meteorological conditions, e. g. temperature and precipitation events. Concentrations of isoprene oxidation products were larger when temperatures were higher during the first half of the campaign (15 August-12 September) due to more substantial emissions of isoprene and enhanced photochemistry. The oxidation of methyl chavicol, an oxygenated terpene emitted by ponderosa pine trees, contributed similarly to OA throughout the campaign. In contrast, the abundances of monoterpene oxidation products in the particle phase were greater during the cooler conditions in the latter half of the campaign (13 September-10 October), even though emissions of the precursors were lower, although the mechanism is not known. OA was correlated with the anthropogenic tracers 2-propyl nitrate and carbon monoxide (CO), consistent with previous observations, while being comprised of mostly non-fossil carbon (>75 %). The correlation between OA and an anthropogenic tracer does not necessarily identify the source of the carbon as being anthropogenic but instead suggests a coupling between the anthropogenic and biogenic components in the air mass that might be related to the source of the oxidant and/or the aerosol sulfate. Observations of organosulfates of isoprene and alpha-pinene provided evidence for the likely importance of aerosol sulfate in spite of neutralized aerosol although acidic plumes might have played a role upwind of the site. This is in contrast to laboratory studies where strongly acidic seed aerosols were needed in order to form these compounds. These compounds together represented only a minor fraction (<1 %) of the total OA mass, which may be the result of the neutralized aerosol at the site or because only a small number of organosulfates were quantified. The low contribution of organosulfates to total OA suggests that other mechanisms, e. g. NOx enhancement of oxidant levels, are likely responsible for the majority of the anthropogenic enhancement of biogenic secondary organic aerosol observed at this site. C1 [Worton, D. R.; Goldstein, A. H.; McKay, M.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA. [Worton, D. R.; Kreisberg, N. M.; Hering, S. V.] Aerosol Dynam Inc, Berkeley, CA 94710 USA. [Goldstein, A. H.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Farmer, D. K.; Docherty, K. S.; Jimenez, J. L.; Gilman, J. B.; de Gouw, J.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Farmer, D. K.; Docherty, K. S.; Jimenez, J. L.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [Gilman, J. B.; Kuster, W. C.; de Gouw, J.] NOAA, Earth Syst Res Lab, Boulder, CO 80305 USA. [Williams, B. J.] Washington Univ, St Louis, MO 63130 USA. [Bench, G.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. [Kristensen, K.; Glasius, M.] Univ Aarhus, Dept Chem, DK-8000 Aarhus C, Denmark. [Surratt, J. D.] CALTECH, Dept Chem, Pasadena, CA 91125 USA. [Seinfeld, J. H.] CALTECH, Dept Environm Sci & Engn, Pasadena, CA 91125 USA. [Seinfeld, J. H.] CALTECH, Dept Chem Engn, Pasadena, CA 91125 USA. RP Worton, DR (reprint author), Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA. EM dworton@berkeley.edu RI Goldstein, Allen/A-6857-2011; Worton, David/A-8374-2012; Hering, Susanne/B-1906-2012; Jimenez, Jose/A-5294-2008; Williams, Brent/A-2886-2013; Kuster, William/E-7421-2010; Gilman, Jessica/E-7751-2010; Surratt, Jason/D-3611-2009; de Gouw, Joost/A-9675-2008; Manager, CSD Publications/B-2789-2015 OI Glasius, Marianne/0000-0002-4404-6989; Goldstein, Allen/0000-0003-4014-4896; Worton, David/0000-0002-6558-5586; Jimenez, Jose/0000-0001-6203-1847; Kuster, William/0000-0002-8788-8588; Gilman, Jessica/0000-0002-7899-9948; Surratt, Jason/0000-0002-6833-1450; de Gouw, Joost/0000-0002-0385-1826; FU National Science Foundation (NSF) [0922562, ATM-0516610, ATM-0919189]; University of California Agriculture and Natural Resources (ANR); Miller Institute in Basic Research in Science at the University of California Berkeley; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; NSF US-NORDIC FX Funding for UCB was provided by the National Science Foundation (NSF, Grant #0922562) and a University of California Agriculture and Natural Resources (ANR) core issue grant. AHG was partially supported by the Miller Institute in Basic Research in Science at the University of California Berkeley. DKF, KSD and JLJ were supported by NSF ATM-0919189. JBG and JDG were partially supported by the National Science Foundation under grant ATM-0516610. This work was partially performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Analyses at the University of Aarhus were partially funded by the NSF US-NORDIC biogenic secondary organic aerosol workshop program. The authors acknowledge Sierra Pacific Industries for the use of their land and the University of California, Berkeley, Center for Forestry, Blodgett Forest Research Station for cooperation in facilitating this research. The authors thank S. S. Cliff (University of California, Davis) for the loan of the high volume filter sampler. N. C. Bouvier-Brown (Loyola Marymount University, Los Angeles), Y. Zhao and E. C. Browne (University of California, Berkeley) for their help with filter collection. N. C. Bouvier-Brown is also thanked for providing the gas phase methyl chavicol data used in the factor analysis and D. M. Matross (University of California, Berkeley) for making the PTR-MS gradient measurements used to normalize the gas phase methyl chavicol data used in the factor analysis. A. Frossard (University of California, San Diego) for assistance with TAG and Brian LaFranchi (Lawrence Livermore National Laboratory) for writing the data merging code. We are grateful to Nathan Eddingsaas (Caltech) for providing the BEPOX-derived organosulfate standard and Yoshiteru Iinuma (Leibniz-Institut fuer Troposphaerenforschung) for providing the beta-pinene oxide derived organosulfate standard used for quantification of IEPOX- and beta-pinene-derived organosulfates, respectively, by LC/ESI-MS techniques. Additionally, we would also like to thank Man Nin Chan and Katherine Schilling (Caltech) for their assistance with filter extractions and UPLC/ESI-HR-TOFMS analyses. NR 128 TC 37 Z9 38 U1 0 U2 56 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 19 BP 10219 EP 10241 DI 10.5194/acp-11-10219-2011 PG 23 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 839HW UT WOS:000296357300014 ER PT J AU Zhao, J Smith, JN Eisele, FL Chen, M Kuang, C McMurry, PH AF Zhao, J. Smith, J. N. Eisele, F. L. Chen, M. Kuang, C. McMurry, P. H. TI Observation of neutral sulfuric acid-amine containing clusters in laboratory and ambient measurements SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID PRENUCLEATION MOLECULAR CLUSTERS; AEROSOL-SIZE DISTRIBUTIONS; SECONDARY ORGANIC AEROSOL; PARTICLE FORMATION RATES; ION-MEDIATED NUCLEATION; ATMOSPHERIC NUCLEATION; ALIPHATIC-AMINES; TROPOSPHERIC AEROSOLS; AMMONIUM BISULFATE; GROWTH-RATES AB Recent ab initio calculations showed that amines can enhance atmospheric sulfuric acid-water nucleation more effectively than ammonia, and this prediction has been substantiated in laboratory measurements. Laboratory studies have also shown that amines can effectively displace ammonia in several types of ammonium clusters. However, the roles of amines in cluster formation and growth at a microscopic molecular scale (from molecular sizes up to 2 nm) have not yet been well understood. Processes that must be understood include the incorporation of amines into sulfuric acid clusters and the formation of organic salts in freshly nucleated particles, which contributes significantly to particle growth rates. We report the first laboratory and ambient measurements of neutral sulfuric acid-amine clusters using the Cluster CIMS, a recently-developed mass spectrometer designed for measuring neutral clusters formed in the atmosphere during nucleation. An experimental technique, which we refer to as Semi-Ambient Signal Amplification (SASA), was employed. Sulfuric acid was added to ambient air, and the concentrations and composition of clusters in this mixture were analyzed by the Cluster CIMS. This experimental approach led to significantly higher cluster concentrations than are normally found in ambient air, thereby increasing signal-to-noise levels and allowing us to study reactions between gas phase species in ambient air and sulfuric acid containing clusters. Mass peaks corresponding to clusters containing four H2SO4 molecules and one amine molecule were clearly observed, with the most abundant sulfuric acid-amine clusters being those containing a C2- or C4-amine (i.e. amines with masses of 45 and 73 amu). Evidence for C3- and C5-amines (i.e. amines with masses of 59 and 87 amu) was also found, but their correlation with sulfuric acid tetramer was not as strong as was observed for the C2- and C4-amines. The formation mechanisms for those sulfuric acid-amine clusters were investigated by varying the residence time in the inlet. It was concluded that the amines react directly with neutral clusters and that ion-induced clustering of sulfuric acid cluster ions with amines was not a dominant process. Results from ambient measurements using the Cluster CIMS without addition of sulfuric acid have shown that the sulfuric acid-amine clusters were reasonably well correlated with sulfuric acid tetramer and consistent with the SASA experiments at the same Boulder sampling site. Also, clusters that contain C2- or C4-amines were more abundant and better correlated with sulfuric acid tetramer than other types of amine containing clusters. However, ambient measurements of sulfuric acid-amine clusters remain difficult and highly uncertain because their concentrations are only slightly above background levels, even during nucleation events. C1 [Zhao, J.; Smith, J. N.; Eisele, F. L.] Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80301 USA. [Smith, J. N.] Univ Eastern Finland, Dept Appl Phys, Kuopio, Finland. [Chen, M.; McMurry, P. H.] Univ Minnesota, Dept Mech Engn, Minneapolis, MN 55455 USA. [Kuang, C.] Brookhaven Natl Lab, Dept Atmospher Sci, Upton, NY 11973 USA. RP Zhao, J (reprint author), Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80301 USA. EM jzhao@ucar.edu RI Smith, James/C-5614-2008; Kuang, Chongai/E-4446-2013; Zhao, Jun/C-8565-2009; McMurry, Peter/A-8245-2008 OI Smith, James/0000-0003-4677-8224; Zhao, Jun/0000-0002-3340-4816; McMurry, Peter/0000-0003-1609-5131 FU NSF [ATM-0506674]; Guggenheim Fellowship FX This work was funded by NSF award ATM-0506674. PHM was supported by a Guggenheim Fellowship. The authors acknowledge Sasha Madronich and Chris Cantrell for valuable comments. The National Center for Atmospheric Research is sponsored by the National Science Foundation. NR 75 TC 59 Z9 59 U1 6 U2 61 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 21 BP 10823 EP 10836 DI 10.5194/acp-11-10823-2011 PG 14 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 847IZ UT WOS:000296967900005 ER PT J AU Meskhidze, N Xu, J Gantt, B Zhang, Y Nenes, A Ghan, SJ Liu, X Easter, R Zaveri, R AF Meskhidze, N. Xu, J. Gantt, B. Zhang, Y. Nenes, A. Ghan, S. J. Liu, X. Easter, R. Zaveri, R. TI Global distribution and climate forcing of marine organic aerosol: 1. Model improvements and evaluation SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID SEA-SPRAY AEROSOL; CLOUD CONDENSATION NUCLEI; BOUNDARY-LAYER; SULFUR CYCLE; ATMOSPHERIC PARTICLES; DIMETHYLSULFIDE DMS; STRATIFORM CLOUDS; DROPLET FORMATION; NATIONAL CENTER; SALT AEROSOL AB Marine organic aerosol emissions have been implemented and evaluated within the National Center of Atmospheric Research (NCAR)'s Community Atmosphere Model (CAM5) with the Pacific Northwest National Laboratory's 7-mode Modal Aerosol Module (MAM-7). Emissions of marine primary organic aerosols (POA), phytoplankton-produced isoprene- and monoterpenes-derived secondary organic aerosols (SOA) and methane sulfonate (MS-) are shown to affect surface concentrations of organic aerosols in remote marine regions. Global emissions of submicron marine POA is estimated to be 7.9 and 9.4 Tgyr(-1), for the Gantt et al. (2011) and Vignati et al. (2010) emission parameterizations, respectively. Marine sources of SOA and particulate MS- (containing both sulfur and carbon atoms) contribute an additional 0.2 and 5.1 Tgyr(-1), respectively. Widespread areas over productive waters of the Northern Atlantic, Northern Pacific, and the Southern Ocean show marine-source submicron organic aerosol surface concentrations of 100 ng m(-3), with values up to 400 ng m(-3) over biologically productive areas. Comparison of long-term surface observations of water insoluble organic matter (WIOM) with POA concentrations from the two emission parameterizations shows that despite revealed discrepancies (often more than a factor of 2), both Gantt et al. (2011) and Vignati et al. (2010) formulations are able to capture the magnitude of marine organic aerosol concentrations, with the Gantt et al. (2011) parameterization attaining better seasonality. Model simulations show that the mixing state of the marine POA can impact the surface number concentration of cloud condensation nuclei (CCN). The largest increases (up to 20 %) in CCN (at a supersaturation (S) of 0.2 %) number concentration are obtained over biologically productive ocean waters when marine organic aerosol is assumed to be externally mixed with sea-salt. Assuming marine organics are internally-mixed with sea-salt provides diverse results with increases and decreases in the concentration of CCN over different parts of the ocean. The sign of the CCN change due to the addition of marine organics to sea-salt aerosol is determined by the relative significance of the increase in mean modal diameter due to addition of mass, and the decrease in particle hygroscopicity due to compositional changes in marine aerosol. Based on emerging evidence for increased CCN concentration over biologically active surface ocean areas/periods, our study suggests that treatment of sea spray in global climate models (GCMs) as an internal mixture of marine organic aerosols and sea-salt will likely lead to an underestimation in CCN number concentration. C1 [Meskhidze, N.; Xu, J.; Gantt, B.; Zhang, Y.] N Carolina State Univ, Dept Marine Earth & Atmospher Sci, Raleigh, NC 27695 USA. [Xu, J.] Chinese Res Inst Environm Sci, Beijing 100012, Peoples R China. [Nenes, A.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. [Nenes, A.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. [Ghan, S. J.; Liu, X.; Easter, R.; Zaveri, R.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. RP Meskhidze, N (reprint author), N Carolina State Univ, Dept Marine Earth & Atmospher Sci, Box 8208, Raleigh, NC 27695 USA. EM nmeskhidze@ncsu.edu RI Gantt, Brett/G-2525-2013; Liu, Xiaohong/E-9304-2011; Ghan, Steven/H-4301-2011; OI Gantt, Brett/0000-0001-7217-2715; Liu, Xiaohong/0000-0002-3994-5955; Ghan, Steven/0000-0001-8355-8699; Zaveri, Rahul/0000-0001-9874-8807 FU Office of Science (BER), US Department of Energy [DEFG02-08ER64508]; NASA NESSF; NASA ACMAP; NSF; US Department of Energy FX This research was supported by the Office of Science (BER), US Department of Energy, Grant No. DEFG02-08ER64508. BG is also supported by a NASA NESSF. AN acknowledges support from NASA ACMAP and NSF CAREER awards. We also acknowledge the US Department of Energy as part of the Atmospheric Radiation Measurement (now Atmospheric System Research) Climate Research Facility MASE and VOCALS field campaigns from which CCN data was used. NR 121 TC 33 Z9 34 U1 9 U2 50 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 22 BP 11689 EP 11705 DI 10.5194/acp-11-11689-2011 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 863AC UT WOS:000298134200025 ER PT J AU de Boer, G Collins, WD Menon, S Long, CN AF de Boer, G. Collins, W. D. Menon, S. Long, C. N. TI Using surface remote sensors to derive radiative characteristics of Mixed-Phase Clouds: an example from M-PACE SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID ARCTIC-OCEAN; OPTICAL-PROPERTIES; ANNUAL CYCLE; HEAT-BUDGET; CLIMATE; SHEBA; FLUXES; RADAR; WATER AB Measurements from ground-based cloud radar, high spectral resolution lidar and microwave radiometer are used in conjunction with a column version of the Rapid Radiative Transfer Model (RRTMG) and radiosonde measurements to derive the surface radiative properties under mixed-phase cloud conditions. These clouds were observed during the United States Department of Energy (US DOE) Atmospheric Radiation Measurement (ARM) Mixed-Phase Arctic Clouds Experiment (M-PACE) between September and November of 2004. In total, sixteen half hour time periods are reviewed due to their coincidence with radiosonde launches. Cloud liquid (ice) water paths are found to range between 11.0-366.4 (0.5-114.1) gm(-2), and cloud physical thicknesses fall between 286-2075 m. Combined with temperature and hydrometeor size estimates, this information is used to calculate surface radiative flux densities using RRTMG, which are demonstrated to generally agree with measured flux densities from surface-based radiometric instrumentation. Errors in longwave flux density estimates are found to be largest for thin clouds, while shortwave flux density errors are generally largest for thicker clouds. A sensitivity study is performed to understand the impact of retrieval assumptions and uncertainties on derived surface radiation estimates. Cloud radiative forcing is calculated for all profiles, illustrating longwave dominance during this time of year, with net cloud forcing generally between 50 and 90 Wm(-2). C1 [de Boer, G.; Collins, W. D.; Menon, S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [de Boer, G.] Cooperat Inst Res Environm Sci, Boulder, CO USA. [de Boer, G.] NOAA, Earth Syst Res Lab, Div Phys Sci, Boulder, CO USA. [Long, C. N.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP de Boer, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM gdeboer@lbl.gov RI de Boer, Gijs/F-3949-2011; Collins, William/J-3147-2014 OI de Boer, Gijs/0000-0003-4652-7150; Collins, William/0000-0002-4463-9848 FU Office of Science, Office of Biological and Environmental Research of the U.S. Department of Energy [DE-AC02-05CH11231]; Office of Biological and Environmental Research (OBER) of the U.S. Department of Energy (DOE); DOE [DE-AC06-76RLO 1830]; U.S. DOE [DE-AC02-05CH11231]; National Oceanic and Atmospheric Administration; U.S. Department of Commerce [NA17RJ1229] FX LBNL research was supported by the Director, Office of Science, Office of Biological and Environmental Research of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 as part of their Climate and Earth System Modeling Program. Long is supported by the Office of Biological and Environmental Research (OBER) of the U.S. Department of Energy (DOE) as part of the Atmospheric Radiation Measurement (ARM), and Atmospheric Systems Research (ASR) Programs. The Pacific Northwest National Laboratory (PNNL) is operated by Battelle for the DOE under contract DE-AC06-76RLO 1830. LBNL is managed by the University of California under U.S. DOE grant DE-AC02-05CH11231. The authors would like to thank Michael Iacono and the Atmospheric and Environmental Research (AER) team for their help in setting up RRTMG. In addition, we would like to thank the University of Wisconsin Lidar Group for making data from the M-PACE period available for evaluation via their website at http://lidar.ssec.wisc.edu, and the M-PACE crew for their hard work in compiling the datasets used. Funding for M-PACE was provided by the United States Department of Energy. This work was prepared in part at the Cooperative Institute for Research in Environmental Sciences (CIRES) with support in part from the National Oceanic and Atmospheric Administration, U.S. Department of Commerce, under cooperative agreement NA17RJ1229 and other grants. The statements, findings, conclusions, and recommendations are those of the author and do not necessarily reflect the views of the National Oceanic and Atmospheric Administration or the Department of Commerce. Computing resources were provided by NASA and the US Department of Energy. The authors wish to recognize the efforts that went into collection and construction of the various datasets used in the present study. NR 35 TC 2 Z9 2 U1 1 U2 9 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 23 BP 11937 EP 11949 DI 10.5194/acp-11-11937-2011 PG 13 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 863AD UT WOS:000298134300002 ER PT J AU Yang, Q Gustafson, WI Fast, JD Wang, H Easter, RC Morrison, H Lee, YN Chapman, EG Spak, SN Mena-Carrasco, MA AF Yang, Q. Gustafson, W. I., Jr. Fast, J. D. Wang, H. Easter, R. C. Morrison, H. Lee, Y. -N. Chapman, E. G. Spak, S. N. Mena-Carrasco, M. A. TI Assessing regional scale predictions of aerosols, marine stratocumulus, and their interactions during VOCALS-REx using WRF-Chem SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID MESOSCALE CELLULAR STRUCTURES; SOUTH-EAST PACIFIC; BOUNDARY-LAYER; PART I; CLOUD MICROPHYSICS; ORGANIC AEROSOLS; EDDY COVARIANCE; HIGH-RESOLUTION; OPEN CELLS; MODEL AB This study assesses the ability of the recent chemistry version (v3.3) of the Weather Research and Forecasting (WRF-Chem) model to simulate boundary layer structure, aerosols, stratocumulus clouds, and energy fluxes over the Southeast Pacific Ocean. Measurements from the VA-MOS Ocean-Cloud-Atmosphere-Land Study Regional Experiment (VOCALS-REx) and satellite retrievals (i.e., products from the MODerate resolution Imaging Spectroradiometer (MODIS), Clouds and Earth's Radiant Energy System (CERES), and GOES-10) are used for this assessment. The Morrison double-moment microphysics scheme is newly coupled with interactive aerosols in the model. The 31-day (15 October-16 November 2008) WRF-Chem simulation with aerosol-cloud interactions (AERO hereafter) is also compared to a simulation (MET hereafter) with fixed cloud droplet number concentrations in the microphysics scheme and simplified cloud and aerosol treatments in the radiation scheme. The well-simulated aerosol quantities (aerosol number, mass composition and optical properties), and the inclusion of full aerosol-cloud couplings lead to significant improvements in many features of the simulated stratocumulus clouds: cloud optical properties and microphysical properties such as cloud top effective radius, cloud water path, and cloud optical thickness. In addition to accounting for the aerosol direct and semi-direct effects, these improvements feed back to the simulation of boundary-layer characteristics and energy budgets. Particularly, inclusion of interactive aerosols in AERO strengthens the temperature and humidity gradients within the capping inversion layer and lowers the marine boundary layer (MBL) depth by 130 m from that of the MET simulation. These differences are associated with weaker entrainment and stronger mean subsidence at the top of the MBL in AERO. Mean top-of-atmosphere outgoing shortwave fluxes, surface latent heat, and surface downwelling longwave fluxes are in better agreement with observations in AERO, compared to the MET simulation. Nevertheless, biases in some of the simulated meteorological quantities (e. g., MBL temperature and humidity) and aerosol quantities (e. g., underestimations of accumulation mode aerosol number) might affect simulated stratocumulus and energy fluxes over the Southeastern Pacific, and require further investigation. The well-simulated timing and outflow patterns of polluted and clean episodes demonstrate the model's ability to capture daily/synoptic scale variations of aerosol and cloud properties, and suggest that the model is suitable for studying atmospheric processes associated with pollution outflow over the ocean. The overall performance of the regional model in simulating mesoscale clouds and boundary layer properties is encouraging and suggests that reproducing gradients of aerosol and cloud droplet concentrations and coupling cloud-aerosol-radiation processes are important when simulating marine stratocumulus over the Southeast Pacific. C1 [Yang, Q.; Gustafson, W. I., Jr.; Fast, J. D.; Wang, H.; Easter, R. C.; Chapman, E. G.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Morrison, H.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Lee, Y. -N.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Spak, S. N.] Univ Iowa, Publ Policy Ctr, Iowa City, IA USA. [Mena-Carrasco, M. A.] Univ Andres Bello, Ctr Sustainabil Res, Santiago, Chile. RP Yang, Q (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM qing.yang@pnnl.gov RI Spak, Scott/B-7331-2008; Chapman, Elaine/K-8756-2012; Mena-Carrasco, Marcelo/B-8483-2012; Mena-Carrasco, Marcelo/L-9730-2016; Yang, Qing/H-3275-2011; Gustafson, William/A-7732-2008; Wang, Hailong/B-8061-2010 OI Spak, Scott/0000-0002-8545-1411; Yang, Qing/0000-0003-2067-5999; Gustafson, William/0000-0001-9927-1393; Wang, Hailong/0000-0002-1994-4402 FU US National Oceanic and Atmospheric Administration (NOAA) [NA10AANRG0083/56091]; US Department of Energy [DE-AC05-76RL01830]; US National Science Foundation; UK Natural Environment Research Council (NERC) [NE/F019874/1]; DOE Office of Biological and Environmental Research; NSF [0748012]; Fondecyt Iniciacion [11090084]; Pacific Northwest National Laboratory FX Funding for this research has been provided by the US National Oceanic and Atmospheric Administration (NOAA) Atmospheric Composition and Climate Program (NA10AANRG0083/56091). Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the US Department of Energy under Contract No. DE-AC05-76RL01830. RB and C-130 measurements were obtained from the VOCALS data archive of NCAR/EOL, which is sponsored by the US National Science Foundation. We acknowledge the NCAR - Research Aviation Facility for providing the measurements on the C-130. We thank the UK Natural Environment Research Council (NERC) for funding the VOCALS UK contingent to the project (grant ref: NE/F019874/1) and the NERC Facility for Airborne and Atmospheric Measurement (FAAM) and Direct Flight and Avalon for operational support of the BAe-146 aircraft. Participation of the DOE G-1 aircraft in VOCALS-Rex was supported by the former Atmospheric Sciences Program (now the Atmospheric System Research Program) within the DOE Office of Biological and Environmental Research. We also acknowledge D. Leon and the staff of University of Wyoming for the radar/lidar derived cloud top and cloud base data, G. Vali for the rain rate derivation scheme, C. Duli for the helpful discussion regarding satellite data quality, S. Abel and G. Allen for the low cloud fraction data retrieved from the GOES-10, C. Fairall and L. Bariteau for surface flux data, B. J. Huebert for DMS data, A. Schanot and J. Jensen for guidance of the 2D-C measurement data usage, S. de Szoeke, S. Yuter, and C. Fairall for Rawinsonde data, T. Bates for the aerosol composition data on the RB and guidance in data usage, S. Howell and L. Shank for the aerosol composition data on the C-130, A. Bandy for gas phase SO2 measurements on C-130. We also thank the many scientists who participated to generate VOCALS field campaign dataset. MODIS and CERES data were obtained from the NASA Langley Research Center Atmospheric Science Data Center. We acknowledge NSF (grant number 0748012) and Fondecyt Iniciacion (project 11090084) for support of the VOCA emission. Some of the analyses were completed using the Aerosol Modeling Testbed tools developed as part of the Aerosol Climate Initiative supported by Laboratory Directed Research Development program at Pacific Northwest National Laboratory. NR 61 TC 50 Z9 50 U1 0 U2 23 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 23 BP 11951 EP 11975 DI 10.5194/acp-11-11951-2011 PG 25 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 863AD UT WOS:000298134300003 ER PT J AU Burling, IR Yokelson, RJ Akagi, SK Urbanski, SP Wold, CE Griffith, DWT Johnson, TJ Reardon, J Weise, DR AF Burling, I. R. Yokelson, R. J. Akagi, S. K. Urbanski, S. P. Wold, C. E. Griffith, D. W. T. Johnson, T. J. Reardon, J. Weise, D. R. TI Airborne and ground-based measurements of the trace gases and particles emitted by prescribed fires in the United States SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID BIOMASS-BURNING EMISSIONS; TRANSFORM INFRARED-SPECTROSCOPY; ORGANIC AEROSOL; MASS-SPECTROMETRY; LABORATORY MEASUREMENTS; TROPICAL FOREST; MEXICO-CITY; ACETIC-ACID; SMOKE PLUME; SECONDARY AB We have measured emission factors for 19 trace gas species and particulate matter (PM2.5) from 14 prescribed fires in chaparral and oak savanna in the southwestern US, as well as conifer forest understory in the southeastern US and Sierra Nevada mountains of California. These are likely the most extensive emission factor field measurements for temperate biomass burning to date and the only published emission factors for temperate oak savanna fuels. This study helps to close the gap in emissions data available for temperate zone fires relative to tropical biomass burning. We present the first field measurements of the biomass burning emissions of glycolaldehyde, a possible precursor for aqueous phase secondary organic aerosol formation. We also measured the emissions of phenol, another aqueous phase secondary organic aerosol precursor. Our data confirm previous observations that urban deposition can impact the NOx emission factors and thus subsequent plume chemistry. For two fires, we measured both the emissions in the convective smoke plume from our airborne platform and the unlofted residual smoldering combustion emissions with our ground-based platform. The smoke from residual smoldering combustion was characterized by emission factors for hydrocarbon and oxygenated organic species that were up to ten times higher than in the lofted plume, including high 1,3-butadiene and isoprene concentrations which were not observed in the lofted plume. This should be considered in modeling the air quality impacts for smoke that disperses at ground level. We also show that the often ignored unlofted emissions can significantly impact estimates of total emissions. Preliminary evidence suggests large emissions of monoterpenes in the residual smoldering smoke. These data should lead to an improved capacity to model the impacts of biomass burning in similar temperate ecosystems. C1 [Burling, I. R.; Yokelson, R. J.; Akagi, S. K.] Univ Montana, Dept Chem, Missoula, MT 59812 USA. [Urbanski, S. P.; Wold, C. E.; Reardon, J.] US Forest Serv, USDA, Rocky Mt Res Stn, Fire Sci Lab, Missoula, MT 59808 USA. [Griffith, D. W. T.] Univ Wollongong, Dept Chem, Wollongong, NSW 2500, Australia. [Johnson, T. J.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Weise, D. R.] US Forest Serv, USDA, Pacific SW Res Stn, Riverside, CA USA. RP Yokelson, RJ (reprint author), Univ Montana, Dept Chem, Missoula, MT 59812 USA. EM bob.yokelson@umontana.edu RI Yokelson, Robert/C-9971-2011 OI Yokelson, Robert/0000-0002-8415-6808 FU Strategic Environmental Research and Development Program (SERDP) [RC-1648, RC-1649]; NSF [ATM 0513055, ATM-0936321]; Joint Fire Science Program [08-1-6-09] FX This work was supported by the Strategic Environmental Research and Development Program (SERDP) Resource conservation projects RC-1648 and RC-1649 and administered through agreement Forest Service Research Joint Venture Agreement 08JV11272166039, and we thank our sponsors for their continuing support. Customization of the USFS Twin Otter was supported primarily by NSF grant ATM 0513055. R. Y. and S. A. were also supported by NSF grant ATM-0936321. Deployment to the Turtle and Shaver Fires as well as participation of Shawn Urbanski was supported partially by Joint Fire Science Program grant 08-1-6-09. Special thanks to our pilots Scott Miller and Aaron Knobloch, Twin Otter mechanic Kevin Bailey, Andrew Robillard (San Luis Jet Center), and our many able collaborators on the ground including: Jason McCarty (SBCFD), Brendan Ripley (VCFD), Dan Ardoin (VAFB), Danny Becker, Susan Cohen, Gary Curcio, Angie Carl, Drew Leiendecker (Ft. Huachuca), Joey Chong, Bonni Corcoran, Gloria Burke, Ania Wrona, Jesse Lozano. NR 73 TC 56 Z9 56 U1 3 U2 64 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 23 BP 12197 EP 12216 DI 10.5194/acp-11-12197-2011 PG 20 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 863AD UT WOS:000298134300018 ER PT J AU Wunch, D Wennberg, PO Toon, GC Connor, BJ Fisher, B Osterman, GB Frankenberg, C Mandrake, L O'Dell, C Ahonen, P Biraud, SC Castano, R Cressie, N Crisp, D Deutscher, NM Eldering, A Fisher, ML Griffith, DWT Gunson, M Heikkinen, P Keppel-Aleks, G Kyro, E Lindenmaier, R Macatangay, R Mendonca, J Messerschmidt, J Miller, CE Morino, I Notholt, J Oyafuso, FA Rettinger, M Robinson, J Roehl, CM Salawitch, RJ Sherlock, V Strong, K Sussmann, R Tanaka, T Thompson, DR Uchino, O Warneke, T Wofsy, SC AF Wunch, D. Wennberg, P. O. Toon, G. C. Connor, B. J. Fisher, B. Osterman, G. B. Frankenberg, C. Mandrake, L. O'Dell, C. Ahonen, P. Biraud, S. C. Castano, R. Cressie, N. Crisp, D. Deutscher, N. M. Eldering, A. Fisher, M. L. Griffith, D. W. T. Gunson, M. Heikkinen, P. Keppel-Aleks, G. Kyro, E. Lindenmaier, R. Macatangay, R. Mendonca, J. Messerschmidt, J. Miller, C. E. Morino, I. Notholt, J. Oyafuso, F. A. Rettinger, M. Robinson, J. Roehl, C. M. Salawitch, R. J. Sherlock, V. Strong, K. Sussmann, R. Tanaka, T. Thompson, D. R. Uchino, O. Warneke, T. Wofsy, S. C. TI A method for evaluating bias in global measurements of CO2 total columns from space SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID O-2 A-BAND; CARBON-DIOXIDE; SPECTROSCOPIC DATABASE; OBSERVING NETWORK; LINE PARAMETERS; ATMOSPHERIC CO2; SPECTRA; CALIBRATION; GASES; SPECTROMETER AB We describe a method of evaluating systematic errors in measurements of total column dry-air mole fractions of CO2 (X-CO2) from space, and we illustrate the method by applying it to the v2.8 Atmospheric CO2 Observations from Space retrievals of the Greenhouse Gases Observing Satellite (ACOS-GOSAT) measurements over land. The approach exploits the lack of large gradients in X-CO2 south of 25 degrees S to identify large-scale offsets and other biases in the ACOS-GOSAT data with several retrieval parameters and errors in instrument calibration. We demonstrate the effectiveness of the method by comparing the ACOS-GOSAT data in the Northern Hemisphere with ground truth provided by the Total Carbon Column Observing Network (TCCON). We use the observed correlation between free-tropospheric potential temperature and X-CO2 in the Northern Hemisphere to define a dynamically informed coincidence criterion between the ground-based TCCON measurements and the ACOS-GOSAT measurements. We illustrate that this approach provides larger sample sizes, hence giving a more robust comparison than one that simply uses time, latitude and longitude criteria. Our results show that the agreement with the TCCON data improves after accounting for the systematic errors, but that extrapolation to conditions found outside the region south of 25 degrees S may be problematic (e. g., high airmasses, large surface pressure biases, M-gain, measurements made over ocean). A preliminary evaluation of the improved v2.9 ACOS-GOSAT data is also discussed. C1 [Wunch, D.; Toon, G. C.; Fisher, B.; Osterman, G. B.; Frankenberg, C.; Mandrake, L.; Castano, R.; Crisp, D.; Eldering, A.; Gunson, M.; Miller, C. E.; Oyafuso, F. A.; Roehl, C. M.; Thompson, D. R.] CALTECH, Jet Prop Lab, Pasadena, CA 91125 USA. [Connor, B. J.] BC Consulting Ltd, Alexandra, New Zealand. [O'Dell, C.] Colorado State Univ, Ft Collins, CO 80523 USA. [Ahonen, P.; Heikkinen, P.; Kyro, E.] Finnish Meteorol Inst, Arctic Res Ctr, FIN-00101 Helsinki, Finland. [Cressie, N.] Ohio State Univ, Dept Stat, Columbus, OH 43210 USA. [Deutscher, N. M.; Messerschmidt, J.; Notholt, J.; Warneke, T.] Univ Bremen, D-28359 Bremen, Germany. [Deutscher, N. M.; Griffith, D. W. T.; Macatangay, R.] Univ Wollongong, Wollongong, NSW, Australia. [Morino, I.; Tanaka, T.; Uchino, O.] Natl Inst Environm Studies, Tsukuba, Ibaraki, Japan. [Rettinger, M.; Sussmann, R.] IMK IFU, Garmisch Partenkirchen, Germany. [Salawitch, R. J.] Univ Maryland, College Pk, MD 20742 USA. [Robinson, J.; Sherlock, V.] Natl Inst Water Atmospher Res, Wellington, New Zealand. [Wofsy, S. C.] Harvard Univ, Cambridge, MA 02138 USA. [Fisher, M. L.] Lawrence Berkeley Natl Labs, Berkeley, CA USA. [Strong, K.] Univ Toronto, Dept Phys, Toronto, ON, Canada. RP Wunch, D (reprint author), CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91125 USA. EM dwunch@gps.caltech.edu RI Morino, Isamu/K-1033-2014; Deutscher, Nicholas/E-3683-2015; Frankenberg, Christian/A-2944-2013; Wennberg, Paul/A-5460-2012; Salawitch, Ross/B-4605-2009; Strong, Kimberly/D-2563-2012; Sussmann, Ralf/K-3999-2012; Keppel-Aleks, Gretchen/A-3239-2013; Biraud, Sebastien/M-5267-2013; Cressie, Noel/B-8858-2009; Heikkinen, Pauli/G-3478-2014; Garmisch-Pa, Ifu/H-9902-2014; Notholt, Justus/P-4520-2016 OI Morino, Isamu/0000-0003-2720-1569; Deutscher, Nicholas/0000-0002-2906-2577; Frankenberg, Christian/0000-0002-0546-5857; Salawitch, Ross/0000-0001-8597-5832; Biraud, Sebastien/0000-0001-7697-933X; Cressie, Noel/0000-0002-0274-8050; Notholt, Justus/0000-0002-3324-885X FU NASA [NNX11AG01G]; Orbiting Carbon Observatory Program; Atmospheric CO2 Observations from Space (ACOS) Program; DOE/ARM; OCO; OCO-2 project; Australian Research Council [LE0668470, DP0879468, DP110103118, LP0562346]; New Zealand Foundation of Research Science and Technology [C01X0204, CO1X0406]; Senate of Bremen; EU; Atlantic Innovation Fund/Nova Scotia Research Innovation Trust; Canada Foundation for Innovation; Canadian Foundation for Climate and Atmospheric Sciences; Canadian Space Agency; Environment Canada; Government of Canada; Natural Sciences and Engineering Research Council; Northern Scientific Training Program; Ontario Innovation Trust; Polar Continental Shelf Program; Ontario Research Fund FX The authors wish to thank Sergey Oshchepkov, Peter Rayner, editor Ilse Aben and an anonymous reviewer for insightful and constructive comments and suggestions. We had enlightening discussions with Hiroshi Suto (JAXA) about the apparent time-dependent drift in the ACOS-GOSAT data. GOSAT spectra were kindly provided to the California Institute of Technology through an RA agreement with JAXA, NIES and the MOE. US funding for TCCON comes from NASA's Terrestrial Ecology Program, grant number NNX11AG01G, the Orbiting Carbon Observatory Program, the Atmospheric CO2 Observations from Space (ACOS) Program and the DOE/ARM Program. The Darwin TCCON site was built at Caltech with funding from the OCO project, and is operated by the University of Wollongong, with travel funds for maintenance and equipment costs funded by the OCO-2 project. We acknowledge funding to support Darwin and Wollongong from the Australian Research Council, Projects LE0668470, DP0879468, DP110103118 and LP0562346. Lauder TCCON measurements are funded by New Zealand Foundation of Research Science and Technology contracts C01X0204 and CO1X0406. We acknowledge financial support of the Bialystok and Orleans TCCON sites from the Senate of Bremen and EU projects IMECC and GEOmon as well as maintenance and logistical work provided by AeroMeteo Service (Bialystok) and the RAMCES team at LSCE (Gif-sur-Yvette, France). The PEARL Bruker 125HR measurements at Eureka were made by the Canadian Network for the Detection of Atmospheric Change (CANDAC), led by James R. Drummond, and in part by the Canadian Arctic ACE Validation Campaigns, led by Kaley A. Walker. They were supported by the Atlantic Innovation Fund/Nova Scotia Research Innovation Trust, Canada Foundation for Innovation, Canadian Foundation for Climate and Atmospheric Sciences, Canadian Space Agency, Environment Canada, Government of Canada International Polar Year funding, Natural Sciences and Engineering Research Council, Northern Scientific Training Program, Ontario Innovation Trust, Polar Continental Shelf Program, and Ontario Research Fund. The authors wish to thank Rebecca Batchelor and Ashley Harrett for the near-infrared upgrade of the instrument, PEARL site manager Pierre Fogal, the staff at the Eureka weather station, and the CANDAC operators for the logistical and on-site support provided at Eureka. Part of this work was performed at the Jet Propulsion Laboratory, California Institute of Technology, under contract with NASA. NCEP Reanalysis data is provided by the NOAA/OAR/ESRL PSD, Boulder, Colorado, USA, from their Web site at http://www.cdc.noaa.gov/. NR 47 TC 104 Z9 109 U1 4 U2 36 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 23 BP 12317 EP 12337 DI 10.5194/acp-11-12317-2011 PG 21 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 863AD UT WOS:000298134300025 ER PT J AU Gao, Y Liu, X Zhao, C Zhang, M AF Gao, Y. Liu, X. Zhao, C. Zhang, M. TI Emission controls versus meteorological conditions in determining aerosol concentrations in Beijing during the 2008 Olympic Games SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID 4-DIMENSIONAL DATA ASSIMILATION; AREA MESOSCALE MODEL; AIR-QUALITY; ORGANIC AEROSOL; MINERAL DUST; POLLUTANTS; OZONE; SIMULATIONS; VARIABILITY; REDUCTION AB A series of emission control measures were undertaken in Beijing and the adjacent provinces in China during the 2008 Beijing Olympic Games on 8-24 August 2008. This provides a unique opportunity for investigating the effectiveness of emission controls on air pollution in Beijing. We conducted a series of numerical experiments over East Asia for the period of July to September 2008 using a coupled meteorology-chemistry model (WRF-Chem). Model can generally reproduce the observed variation of aerosol concentrations. Consistent with observations, modeled concentrations of aerosol species (sulfate, nitrate, ammonium, black carbon, organic carbon, total particulate matter) in Beijing were decreased by 30-50% during the Olympic period compared to the other periods in July and August in 2008 and the same period in 2007. Model results indicate that emission controls were effective in reducing the aerosol concentrations by comparing simulations with and without emission controls. In addition to emission controls, our analysis suggests that meteorological conditions (e.g. wind direction and precipitation) were also important in producing the low aerosol concentrations appearing during the Olympic period. Transport from the regions surrounding Beijing determined the daily variation of aerosol concentrations in Beijing. Based on the budget analysis, we suggest that to improve the air quality over Beijing, emission control strategy should focus on the regional scale instead of the local scale. C1 [Gao, Y.; Liu, X.; Zhao, C.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Gao, Y.; Zhang, M.] Chinese Acad Sci, Inst Atmospher Phys, State Key Lab Atmospher Boundary Layer Phys & Atm, Beijing, Peoples R China. RP Liu, X (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM xiaohong.liu@pnnl.gov RI Zhao, Chun/A-2581-2012; Wang, ZF/D-7202-2012; Liu, Xiaohong/E-9304-2011 OI Zhao, Chun/0000-0003-4693-7213; Wang, ZF/0000-0002-7062-6012; Liu, Xiaohong/0000-0002-3994-5955 FU US Department of Energy (DOE), Office of Science; National Natural Science Foundation of China [20937001]; National Department Public Benefit Research Foundation (Ministry of Environmental Protection of China) [201009001, 201109002]; DOE by Battelle Memorial Institute [DE-AC06-76RLO 1830] FX X. Liu acknowledges the funding support from the US Department of Energy (DOE), Office of Science, Scientific Discovery through Advanced Computing (SciDAC) Program M. Zhang was funded by the National Natural Science Foundation of China (No. 20937001) and the National Department Public Benefit Research Foundation (Ministry of Environmental Protection of China) (No. 201009001 and 201109002). The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC06-76RLO 1830. NR 46 TC 37 Z9 39 U1 8 U2 52 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2011 VL 11 IS 23 BP 12437 EP 12451 DI 10.5194/acp-11-12437-2011 PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 863AD UT WOS:000298134300031 ER PT J AU Roesch, A Wild, M Ohmura, A Dutton, EG Long, CN Zhang, T AF Roesch, A. Wild, M. Ohmura, A. Dutton, E. G. Long, C. N. Zhang, T. TI Assessment of BSRN radiation records for the computation of monthly means SO ATMOSPHERIC MEASUREMENT TECHNIQUES LA English DT Article ID SOLAR-RADIATION; SURFACE; FLUXES; ATMOSPHERE; CLIMATE; MODELS; GCMS AB The integrity of the Baseline Surface Radiation Network (BSRN) radiation monthly averages are assessed by investigating the impact on monthly means due to the frequency of data gaps caused by missing or discarded high time resolution data. The monthly statistics, especially means, are considered to be important and useful values for climate research, model performance evaluations and for assessing the quality of satellite (time- and space-averaged) data products. The study investigates the spread in different algorithms that have been applied for the computation of monthly means from 1-min values. The paper reveals that the computation of monthly means from 1-min observations distinctly depends on the method utilized to account for the missing data. The intra-method difference generally increases with an increasing fraction of missing data. We found that a substantial fraction of the radiation fluxes observed at BSRN sites is either missing or flagged as questionable. The percentage of missing data is 4.4%, 13.0%, and 6.5% for global radiation, direct shortwave radiation, and downwelling longwave radiation, respectively. Most flagged data in the shortwave are due to nighttime instrumental noise and can reasonably be set to zero after correcting for thermal offsets in the daytime data. The study demonstrates that the handling of flagged data clearly impacts on monthly mean estimates obtained with different methods. We showed that the spread of monthly shortwave fluxes is generally clearly higher than for downwelling longwave radiation. Overall, BSRN observations provide sufficient accuracy and completeness for reliable estimates of monthly mean values. However, the value of future data could be further increased by reducing the frequency of data gaps and the number of outliers. It is shown that two independent methods for accounting for the diurnal and seasonal variations in the missing data permit consistent monthly means to within less than 1 W m(-2) in most cases. The authors suggest using a standardized method for the computation of monthly means which addresses diurnal variations in the missing data in order to avoid a mismatch of future published monthly mean radiation fluxes from BSRN. The application of robust statistics would probably lead to less biased results for data records with frequent gaps and/or flagged data and outliers. The currently applied empirical methods should, therefore, be completed by the development of robust methods. C1 [Roesch, A.; Wild, M.; Ohmura, A.] ETH, Inst Atmospher & Climate Sci, CH-8092 Zurich, Switzerland. [Dutton, E. G.] NOAA Earth Syst Res Lab GMD, Boulder, CO 80305 USA. [Long, C. N.] Pacific NW Lab, Richland, WA USA. [Zhang, T.] NASA Langley Res Ctr, Hampton, VA 23681 USA. RP Roesch, A (reprint author), ETH, Inst Atmospher & Climate Sci, Univ Str 16, CH-8092 Zurich, Switzerland. EM andreas.roesch@env.ethz.ch RI Wild, Martin/J-8977-2012 FU Atsumu Ohmura from ETH Zurich FX The research reported herein was sponsored in part by Atsumu Ohmura from ETH Zurich. The contributions of data from all the various field sites to the BSRN archive is greatly appreciated. NR 21 TC 45 Z9 46 U1 0 U2 8 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1867-1381 EI 1867-8548 J9 ATMOS MEAS TECH JI Atmos. Meas. Tech. PY 2011 VL 4 IS 2 BP 339 EP 354 DI 10.5194/amt-4-339-2011 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 727JZ UT WOS:000287796100013 ER PT J AU Slowik, JG Cziczo, DJ Abbatt, JPD AF Slowik, J. G. Cziczo, D. J. Abbatt, J. P. D. TI Analysis of cloud condensation nuclei composition and growth kinetics using a pumped counterflow virtual impactor and aerosol mass spectrometer SO ATMOSPHERIC MEASUREMENT TECHNIQUES LA English DT Article ID SECONDARY ORGANIC AEROSOL; CHEMICAL-COMPOSITION; SOLUBLE ORGANICS; ATMOSPHERIC PARTICLES; INTERCEPTED CLOUDS; RURAL SITE; DROPLETS; PHASE; WATER; SIZE AB We present a new method of determining the size and composition of CCN-active aerosol particles. Method utility is illustrated through a series of ambient measurements. A continuous-flow thermal-gradient diffusion chamber (TGDC), pumped counterflow virtual impactor (PCVI), and Aerodyne time-of-flight mass spectrometer (AMS) are operated in series. Ambient particles are sampled into the TGDC, where a constant supersaturation is maintained, and CCN-active particles grow to similar to 2.5 +/- 0.5 mu m. The output flow from the TGDC is directed into the PCVI, where a counterflow of dry N(2) gas opposes the particle-laden flow, creating a region of zero axial velocity. This stagnation plane can only be traversed by particles with sufficient momentum, which depends on their size. Particles that have activated in the TGDC cross the stagnation plane and are entrained in the PCVI output flow, while the unactivated particles are diverted to a pump. Because the input gas is replaced by the counterflow gas with better than 99% efficiency at the stagnation plane, the output flow consists almost entirely of dry N2 and water evaporates from the activated particles. In this way, the system yields an ensemble of CCN-active particles whose chemical composition and size are analyzed using the AMS. Measurements of urban aerosol in downtown Toronto identified an external mixture of CCN-active particles consisting almost entirely of ammonium nitrate and ammonium sulfate, with CCN-inactive particles of the same size consisting of a mixture of ammonium nitrate, ammonium sulfate, and organics. We also discuss results from the first field deployment of the TGDC-PCVI-AMS system, conducted from mid-May to mid-June 2007 in Egbert, Ontario, a semirural site similar to 80 km north of Toronto influenced both by clean air masses from the north and emissions from the city. Organic-dominated particles sampled during a major biogenic event exhibited higher CCN activity and/or faster growth kinetics than urban outflow from Toronto, despite the latter having a higher inorganic content and higher O:C ratio. During both events, particles were largely internally mixed. C1 [Cziczo, D. J.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Slowik, J. G.; Abbatt, J. P. D.] Univ Toronto, Dept Chem, Toronto, ON M5S 3H6, Canada. RP Slowik, JG (reprint author), Paul Scherrer Inst, CH-5232 Villigen, Switzerland. EM jay.slowik@psi.ch RI Slowik, Jay/F-4894-2011 OI Slowik, Jay/0000-0001-5682-850X FU Canadian Foundation for Climate and Atmospheric Sciences through the Cloud-Aerosol Feedbacks and Climate Network; Natural Science and Engineering Research Council (Canada) FX This work was supported by the Canadian Foundation for Climate and Atmospheric Sciences through the Cloud-Aerosol Feedbacks and Climate Network and by the Natural Science and Engineering Research Council (Canada). The authors also thank Environment Canada for hosting the Egbert 2007 field campaign at the Centre for Atmospheric Research Experiments (CARE), Egbert, Ontario. NR 58 TC 7 Z9 7 U1 0 U2 22 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1867-1381 J9 ATMOS MEAS TECH JI Atmos. Meas. Tech. PY 2011 VL 4 IS 8 BP 1677 EP 1688 DI 10.5194/amt-4-1677-2011 PG 12 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 814ME UT WOS:000294457700011 ER PT J AU Hiranuma, N Kohn, M Pekour, MS Nelson, DA Shilling, JE Cziczo, DJ AF Hiranuma, N. Kohn, M. Pekour, M. S. Nelson, D. A. Shilling, J. E. Cziczo, D. J. TI Droplet activation, separation, and compositional analysis: laboratory studies and atmospheric measurements SO ATMOSPHERIC MEASUREMENT TECHNIQUES LA English DT Article ID AEROSOL MASS-SPECTROMETER; COUNTERFLOW VIRTUAL IMPACTOR; CLOUD CONDENSATION NUCLEI; SECONDARY ORGANIC AEROSOL; GROWTH-KINETICS; HETEROGENEOUS CHEMISTRY; CCN ACTIVITY; PARTICLES; SIZE; SUPERSATURATION AB Droplets produced in a cloud condensation nuclei chamber (CCNC) as a function of supersaturation have been separated from unactivated aerosol particles using counterflow virtual impaction. Residual material after droplets were evaporated was chemically analyzed with an Aerodyne Aerosol Mass Spectrometer (AMS) and the Particle Analysis by Laser Mass Spectrometry (PALMS) instrument. Experiments were initially conducted to verify activation conditions for monodisperse ammonium sulfate particles and to determine the resulting droplet size distribution as a function of supersaturation. Based on the observed droplet size, the counterflow virtual impactor cut-size was set to differentiate droplets from unactivated interstitial particles. Validation experiments were then performed to verify that only droplets with sufficient size passed through the counterflow virtual impactor for subsequent analysis. A two-component external mixture of monodisperse particles was also exposed to a supersaturation which would activate one of the types (hygroscopic salts) but not the other (polystyrene latex spheres or adipic acid). The mass spectrum observed after separation indicated only the former, validating separation of droplets from unactivated particles. Results from ambient measurements using this technique and AMS analysis were inconclusive, showing little chemical differentiation between ambient aerosol and activated droplet residuals, largely due to low signal levels. When employing as single particle mass spectrometer for compositional analysis, however, we observed enhancement of sulfate in droplet residuals. C1 [Hiranuma, N.; Pekour, M. S.; Nelson, D. A.; Shilling, J. E.; Cziczo, D. J.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Kohn, M.] Goethe Univ Frankfurt, Inst Atmospher & Environm Sci, Frankfurt, Germany. RP Cziczo, DJ (reprint author), MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM djcziczo@mit.edu RI Hiranuma, Naruki/D-3780-2014; Shilling, John/L-6998-2015; OI Hiranuma, Naruki/0000-0001-7790-4807; Shilling, John/0000-0002-3728-0195; Kohn, Monika/0000-0003-1662-0389 FU Pacific Northwest National Laboratory Aerosol Climate Initiative; Goethe-University Frankfurt am Main FX Funding for this work was provided by the Pacific Northwest National Laboratory Aerosol Climate Initiative and Goethe-University Frankfurt am Main. We acknowledge the assistance of Joachim Curtius in facilitating Monika Kohn's participation on this project. The authors wish to thank Karl Froyd for assistance with the mass spectrometer and the reviewers for their suggestions, in particular those which motivated the expanded description of this technique and the future studies section. We also wish to thank Gourihar Kulkarni, Jay Slowik and Jon Abbatt for useful discussions. NR 39 TC 6 Z9 6 U1 0 U2 18 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1867-1381 J9 ATMOS MEAS TECH JI Atmos. Meas. Tech. PY 2011 VL 4 IS 10 BP 2333 EP 2343 DI 10.5194/amt-4-2333-2011 PG 11 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 842JC UT WOS:000296594000022 ER PT J AU Leblanc, T Walsh, TD McDermid, IS Toon, GC Blavier, JF Haines, B Read, WG Herman, B Fetzer, E Sander, S Pongetti, T Whiteman, DN McGee, TG Twigg, L Sumnicht, G Venable, D Calhoun, M Dirisu, A Hurst, D Jordan, A Hall, E Miloshevich, L Vomel, H Straub, C Kampfer, N Nedoluha, GE Gomez, RM Holub, K Gutman, S Braun, J Vanhove, T Stiller, G Hauchecorne, A AF Leblanc, T. Walsh, T. D. McDermid, I. S. Toon, G. C. Blavier, J. -F. Haines, B. Read, W. G. Herman, B. Fetzer, E. Sander, S. Pongetti, T. Whiteman, D. N. McGee, T. G. Twigg, L. Sumnicht, G. Venable, D. Calhoun, M. Dirisu, A. Hurst, D. Jordan, A. Hall, E. Miloshevich, L. Voemel, H. Straub, C. Kampfer, N. Nedoluha, G. E. Gomez, R. M. Holub, K. Gutman, S. Braun, J. Vanhove, T. Stiller, G. Hauchecorne, A. TI Measurements of Humidity in the Atmosphere and Validation Experiments (MOHAVE)-2009: overview of campaign operations and results SO ATMOSPHERIC MEASUREMENT TECHNIQUES LA English DT Article ID STRATOSPHERIC WATER-VAPOR; INTENSIVE OBSERVATION PERIODS; GROUND-BASED MEASUREMENTS; PERFORMANCE RAMAN LIDAR; TROPICAL TROPOPAUSE; GPS METEOROLOGY; OZONE LIDAR; RADIOSONDE; NETWORK; INCREASE AB The Measurements of Humidity in the Atmosphere and Validation Experiment (MOHAVE) 2009 campaign took place on 11-27 October 2009 at the JPL Table Mountain Facility in California (TMF). The main objectives of the campaign were to (1) validate the water vapor measurements of several instruments, including, three Raman lidars, two microwave radiometers, two Fourier-Transform spectrometers, and two GPS receivers (column water), (2) cover water vapor measurements from the ground to the mesopause without gaps, and (3) study upper tropospheric humidity variability at timescales varying from a few minutes to several days. A total of 58 radiosondes and 20 Frost-Point hygrometer sondes were launched. Two types of radiosondes were used during the campaign. Non negligible differences in the readings between the two radiosonde types used (Vaisala RS92 and InterMet iMet-1) made a small, but measurable impact on the derivation of water vapor mixing ratio by the Frost-Point hygrometers. As observed in previous campaigns, the RS92 humidity measurements remained within 5% of the Frost-point in the lower and mid-troposphere, but were too dry in the upper troposphere. Over 270 h of water vapor measurements from three Raman lidars (JPL and GSFC) were compared to RS92, CFH, and NOAA-FPH. The JPL lidar profiles reached 20 km when integrated all night, and 15 km when integrated for 1 h. Excellent agreement between this lidar and the frost-point hygrometers was found throughout the measurement range, with only a 3% (0.3 ppmv) mean wet bias for the lidar in the upper troposphere and lower stratosphere (UTLS). The other two lidars provided satisfactory results in the lower and mid-troposphere (2-5% wet bias over the range 3-10 km), but suffered from contamination by fluorescence (wet bias ranging from 5 to 50% between 10 km and 15 km), preventing their use as an independent measurement in the UTLS. The comparison between all available stratospheric sounders allowed to identify only the largest biases, in particular a 10% dry bias of the Water Vapor Millimeter-wave Spectrometer compared to the Aura-Microwave Limb Sounder. No other large, or at least statistically significant, biases could be observed. Total Precipitable Water (TPW) measurements from six different co-located instruments were available. Several retrieval groups provided their own TPW retrievals, resulting in the comparison of 10 different datasets. Agreement within 7% (0.7 mm) was found between all datasets. Such good agreement illustrates the maturity of these measurements and raises confidence levels for their use as an alternate or complementary source of calibration for the Raman lidars. Tropospheric and stratospheric ozone and temperature measurements were also available during the campaign. The water vapor and ozone lidar measurements, together with the advected potential vorticity results from the high-resolution transport model MIMOSA, allowed the identification and study of a deep stratospheric intrusion over TMF. These observations demonstrated the lidar strong potential for future long-term monitoring of water vapor in the UTLS. C1 [Leblanc, T.; Walsh, T. D.; McDermid, I. S.] CALTECH, Jet Prop Lab, Wrightwood, CA 92397 USA. [Toon, G. C.; Blavier, J. -F.; Haines, B.; Read, W. G.; Herman, B.; Fetzer, E.; Sander, S.; Pongetti, T.] CALTECH, Jet Prop Lab, Pasadena, CA USA. [Whiteman, D. N.; McGee, T. G.; Twigg, L.; Sumnicht, G.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Venable, D.; Calhoun, M.] Howard Univ, Beltsville, MD USA. [Dirisu, A.] Oak Ridge Associated Univ, NASA, Oak Ridge, TN 37831 USA. [Hurst, D.; Jordan, A.; Hall, E.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Hurst, D.; Jordan, A.; Hall, E.] NOAA, Earth Syst Res Lab, Global Monitoring Div, Boulder, CO 80305 USA. [Miloshevich, L.] Milo Sci LLC, Lafayette, CO 80026 USA. [Voemel, H.] Richard Assmann Observ, Lindenberg, Germany. [Straub, C.; Kampfer, N.] Univ Bern, Inst Appl Phys, CH-3012 Bern, Switzerland. [Nedoluha, G. E.; Gomez, R. M.] USN, Res Lab, Washington, DC 20375 USA. [Braun, J.; Vanhove, T.] Natl Ctr Atmospher Res, UCAR, Boulder, CO 80305 USA. [Stiller, G.] Karlsruhe Inst Technol, Inst Meteorol & Climate Res, Karlsruhe, Germany. [Hauchecorne, A.] CNRS IPSL LATMOS, Paris, France. RP Leblanc, T (reprint author), CALTECH, Jet Prop Lab, Wrightwood, CA 92397 USA. EM leblanc@tmf.jpl.nasa.gov RI Stiller, Gabriele/A-7340-2013; Hauchecorne, Alain/A-8489-2013; McGee, Thomas/G-4951-2013; Hurst, Dale/D-1554-2016; OI Stiller, Gabriele/0000-0003-2883-6873; Hurst, Dale/0000-0002-6315-2322; Hauchecorne, Alain/0000-0001-9888-6994 FU NASA; German Federal Ministry of Education and Research [50EE0901]; National Science Foundation [AGS-0918398] FX The work described in this paper was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under agreements with the National Aeronautics and Space Administration. The data used here were made publicly available on JPL's MOHAVE-2009 website: http://tmf-lidar.jpl.nasa.gov/campaigns/mohave2009.htm. This campaign was partially funded by the NASA Upper Atmosphere Research Program. Part of the operations was supported by an appointment to the NASA Postdoctoral Program at the Goddard Space Flight Center, administered by Oak Ridge Associated Universities through a contract with NASA. The work by KIT was partly funded by the German Federal Ministry of Education and Research under contract no. 50EE0901. The authors acknowledge ESA for providing MIPAS L1b data. SuomiNet work is supported by the National Science Foundation under grant AGS-0918398. NR 55 TC 22 Z9 22 U1 1 U2 14 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1867-1381 J9 ATMOS MEAS TECH JI Atmos. Meas. Tech. PY 2011 VL 4 IS 12 BP 2579 EP 2605 DI 10.5194/amt-4-2579-2011 PG 27 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 867ZD UT WOS:000298492400001 ER PT J AU Van Weverberg, K van Lipzig, NPM Delobbe, L AF Van Weverberg, Kwinten van Lipzig, Nicole P. M. Delobbe, Laurent TI Evaluation of moist processes during intense precipitation in km-scale NWP models using remote sensing and in-situ data: Impact of microphysics size distribution assumptions SO ATMOSPHERIC RESEARCH LA English DT Article DE Atmospheric model evaluation; Intense precipitation; Size distribution assumptions; One-moment bulk microphysics; parameterisation ID NONHYDROSTATIC ATMOSPHERIC SIMULATION; PREDICTION SYSTEM ARPS; DEEP CONVECTIVE STORMS; PART II; EXPLICIT MICROPHYSICS; BULK PARAMETERIZATION; NUMERICAL SIMULATIONS; TROPICAL CONVECTION; CLOUD MICROPHYSICS; FRONTAL RAINBANDS AB This study investigates the sensitivity of moist processes and surface precipitation during three extreme precipitation events over Belgium to the representation of rain, snow and hail size distributions in a bulk one-moment microphysics parameterisation scheme. Sensitivities included the use of empirically derived relations to calculate the slope parameter and diagnose the intercept parameter of the exponential snow and rain size distributions and sensitivities to the treatment of hail/graupel. A detailed evaluation of the experiments against various high temporal resolution and spatially distributed observational data was performed to understand how moist processes responded to the implemented size distribution modifications. Net vapour consumption by microphysical processes was found to be unaffected by snow or rain size distribution modifications, while it was reduced replacing formulations for hail by those typical for graupel, mainly due to intense sublimation of graupel. Cloud optical thickness was overestimated in all experiments and all cases, likely due to overestimated snow amounts. The overestimation slightly deteriorated by modifying the rain and snow size distributions due to increased snow depositional growth, while it was reduced by including graupel. The latter was mainly due to enhanced cloud water collection by graupel and reduced snow depositional growth. Radar reflectivity and cloud optical thickness could only be realistically represented by inclusion of graupel during a stratiform case, while hail was found indispensable to simulate the vertical reflectivity profile and the surface precipitation structure. Precipitation amount was not much altered by any of the modifications made and the general overestimation was only decreased slightly during a supercell convective case. (C) 2010 Elsevier B.V. All rights reserved. C1 [Van Weverberg, Kwinten] Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. [Van Weverberg, Kwinten; van Lipzig, Nicole P. M.] Katholieke Univ Leuven, Dept Earth & Environm Sci, Louvain, Belgium. [Delobbe, Laurent] Royal Meteorol Inst, Uccle, Belgium. RP Van Weverberg, K (reprint author), Brookhaven Natl Lab, Div Atmospher Sci, Bldg 490-D, Upton, NY 11973 USA. EM kvweverberg@bnl.gov FU Flemish Fund for Scientific Research (FWO-Vlaanderen) FX This research was carried out in the framework of the QUEST-B project, funded by the Flemish Fund for Scientific Research (FWO-Vlaanderen). Furthermore, we would like to acknowledge the Center for Analysis and Prediction of Storms (CAPS) of Oklahoma University for providing the ARPS source code online and Jerry Straka and Ming Xue for fruitful discussions leading to the experiments carried out. Furthermore, we like to thank the Deutscher Wetterdienst (DWD) and the ICSU/WMO World Data Center for Remote Sensing of the Atmosphere for providing the Satellite Application Facility on Climate Monitoring (CM-SAF) and APOLLO satellite derived cloud properties respectively. Atmospheric sounding data were provided by the Department of Atmospheric Science of the University of Wyoming. We are also grateful to the European Environment Agency for making available the CORINE land cover data, the US Geological Survey for the GTOPO30 terrain height dataset, the Deutsches Zentrum fur Luft und Raumfahrt (DLR) for the processed AVHRR imagery for sea surface temperature and the Flemish Institute for Technological Research (VITO) for the SPOT vegetation NDVI imagery. This research is conducted utilising high performance computational resources provided by the University of Leuven, http://ludit.kuleuven.be/hpc. Lastly, we appreciate the comments of the anonymous reviewers, improving an earlier draft. NR 52 TC 9 Z9 9 U1 1 U2 10 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0169-8095 J9 ATMOS RES JI Atmos. Res. PD JAN PY 2011 VL 99 IS 1 BP 15 EP 38 DI 10.1016/j.atmosres.2010.08.017 PG 24 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 703OO UT WOS:000285988300002 ER PT J AU Bajaj, C Abraham, J Pickett, LM AF Bajaj, Chetan Abraham, John Pickett, Lyle M. TI VAPORIZATION EFFECTS ON TRANSIENT DIESEL SPRAY STRUCTURE SO ATOMIZATION AND SPRAYS LA English DT Article; Proceedings Paper CT ILASS-Americas Meeting CY MAY 15-18, 2011 CL Ventura, CA DE diesel spray; gas jets; vaporizing spray; spray penetration; spray spreading ID GAS JETS; ENTRAINMENT; PENETRATION; MODEL; DISPERSION AB This paper examines how the penetration, spreading rate, and entrainment of a vaporizing spray differ from those of a nonvaporizing spray under diesel engine operating conditions, when the injected mass and momentum flow rates are the same for both. Correlations for these parameters derived for nonvaporizing sprays from measurements in a constant-volume chamber are often employed to explain the behavior of vaporizing sprays in diesel engines. In fact, they appear to explain results rather well. Furthermore, vapor jets injected with the same mass and momentum flow rates as the vaporizing sprays have been shown to give penetration and spreading rates which are comparable to those of the sprays, although the latent heat of vaporization has not been included in specifying the internal energy of the vapor. Why? These questions are addressed by carrying out computations in a constant-volume chamber for the Sandia baseline n-heptane spray (http://www.ca.sandia.gov/ecn). This spray has been the subject of a prior study by the authors. Details of vaporizing and nonvaporizing sprays, and corresponding vapor jets, are examined in order to provide insight into the physics whose effects are ultimately reflected in the global parameters such as penetration and spreading. The role that vaporization plays in determining these parameters is a focus of the paper. The influence of drop size and ambient conditions on the conclusions is critically evaluated. The interplay of changes in temperature and density in the core of the spray with momentum exchange and entrainment is discussed as part of the explanation of the observed results. C1 [Bajaj, Chetan; Abraham, John] Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA. [Pickett, Lyle M.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. RP Abraham, J (reprint author), Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA. EM jabraham@purdue.edu NR 35 TC 5 Z9 5 U1 0 U2 12 PU BEGELL HOUSE INC PI REDDING PA 50 CROSS HIGHWAY, REDDING, CT 06896 USA SN 1044-5110 J9 ATOMIZATION SPRAY JI Atom. Sprays PY 2011 VL 21 IS 5 BP 411 EP 426 PG 16 WC Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA 877AX UT WOS:000299150000004 ER PT J AU Zhu, JY Nishida, K Kuti, OA Moon, S AF Zhu, Jingyu Nishida, Keiya Kuti, Olawole Abiola Moon, Seoksu TI QUANTITATIVE ANALYSES OF FUEL SPRAY-AMBIENT GAS INTERACTION BY MEANS OF LIF-PIV TECHNIQUE SO ATOMIZATION AND SPRAYS LA English DT Article DE diesel spray; ultrahigh injection pressure; micro-hole nozzle; ambient gas flow; mass flow rate; LIF-PIV ID DIESEL SPRAY; ENTRAINMENT AB The in-cylinder fuel-ambient gas mixing property in a direct injection (D.I.) diesel engine significantly influences the ensuing combustion and exhaust emission performance. In this study, the interaction of nonevaporating diesel spray with the surrounding gas was analyzed quantitatively in the quiescent condition at room temperature and with ambient gas pressure of 1 MPa by means of the laser induced fluorescence-particle image velocimetry (LIF-PIV) technique. Particularly, this study focused on the calculation of gas mass flow rate entrained through the entire spray region (spray side periphery and tip region) and total entrained gas-fuel ratio by using the gas velocity data obtained by the LIF-PIV technique. Another focus of this study was the gas entrainment characteristics of diesel spray under a wide range of injection pressures (100, 200, and 300 MPa) and the micro-hole nozzle (0.08mm) condition. The results indicate that the entrained gas mass flow rate at the spray tip region is prominent in the whole periphery and the proportion of gas entrainment at the side surface region increases as the spray develops Higher injection pressure significantly enhances the total entrained gas mass; however the increase of ambient gas/fuel mass ratio becomes moderate gradually as the injection pressure increases. The calculation model proposed by this work is capable of illustrating the ambient gas flow characteristics of the diesel spray accurately. C1 [Zhu, Jingyu; Nishida, Keiya; Kuti, Olawole Abiola] Hiroshima Univ, Dept Mech Syst Engn, Higashihiroshima 7398527, Japan. [Moon, Seoksu] Argonne Natl Lab, Argonne, IL 60439 USA. RP Zhu, JY (reprint author), Hiroshima Univ, Dept Mech Syst Engn, 1-4-1 Kagamiyama, Higashihiroshima 7398527, Japan. EM zhujingyu-scl@hiroshima-u.ac.jp RI Kuti, Olawole/I-2770-2013 OI Kuti, Olawole/0000-0003-4836-8050 FU ISUZU Advanced Engineering Center FX The author would like to thank ISUZU Advanced Engineering Center which provided the highpressure injection system and sponsorship. NR 21 TC 4 Z9 4 U1 0 U2 13 PU BEGELL HOUSE INC PI REDDING PA 50 CROSS HIGHWAY, REDDING, CT 06896 USA SN 1044-5110 J9 ATOMIZATION SPRAY JI Atom. Sprays PY 2011 VL 21 IS 6 BP 447 EP 465 PG 19 WC Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA 882TH UT WOS:000299586300001 ER PT J AU Crossley, EL Aitken, JB Vogt, S Harris, HH Rendina, LM AF Crossley, Ellen L. Aitken, Jade B. Vogt, Stefan Harris, Hugh H. Rendina, Louis M. TI Uptake and Distribution of a Platinum(II)-Carborane Complex Within a Tumour Cell Using Synchrotron XRF Imaging SO AUSTRALIAN JOURNAL OF CHEMISTRY LA English DT Article ID RAY-FLUORESCENCE MICROSCOPY; PLATINUM ANTICANCER AGENTS; NEUTRON-CAPTURE THERAPY; CANCER-CELLS; LUNG-CELLS; DNA; MICROPROBE; INTERCALATION; BIOTRANSFORMATION; TOPOGRAPHY AB Treatment of A549 human lung carcinoma cells with a DNA metallointercalator complex containing a Pt(II)-terpy (terpy 2,2':6',2 ''-terpyridine) unit linked to a functionalized closo-carborane cage results in the uptake of the complex within the cells, as determined by synchrotron X-ray fluorescence (XRF) imaging. Although a significant cellular uptake of Pt existed, there was no significant accumulation of the element within the cell nuclei. Other statistically significant changes from the XRF data included an increase in Cl, K, and Cu and a decrease in Fe within the treated cells. C1 [Crossley, Ellen L.; Aitken, Jade B.; Rendina, Louis M.] Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia. [Vogt, Stefan] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Harris, Hugh H.] Univ Adelaide, Sch Chem & Phys, Adelaide, SA 5005, Australia. RP Rendina, LM (reprint author), Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia. EM lou.rendina@sydney.edu.au RI Harris, Hugh/A-4983-2008; Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013; OI Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513; Harris, Hugh/0000-0002-3472-8628 FU Commonwealth of Australia; USA Dept of Energy, Office of Science [W-31-109-Eng-38]; Australian Research Council [DP0557118, DP0664706] FX The authors thank Dr Fatiah Issa and Dr Aviva Levina (The University of Sydney) for their generous assistance with the cell studies. This research was supported by the Australian Synchrotron Research Program, which is funded by the Commonwealth of Australia under the Major National Research Facilities Program. The use of the Advanced Photon Source was supported by the USA Dept of Energy, Office of Science, under contract no. W-31-109-Eng-38. The research was also supported by Australian Research Council grants to L.M.R. (DP0557118) and H.H.H. (DP0664706). NR 34 TC 7 Z9 7 U1 2 U2 16 PU CSIRO PUBLISHING PI COLLINGWOOD PA 150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA SN 0004-9425 J9 AUST J CHEM JI Aust. J. Chem. PY 2011 VL 64 IS 3 BP 253 EP 257 DI 10.1071/CH10453 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 732YC UT WOS:000288224600005 ER PT J AU Prabhu, VM Kang, SH Kline, RJ DeLongchamp, DM Fischer, DA Wu, WL Satija, SK Bonnesen, PV Sha, J Ober, CK AF Prabhu, Vivek M. Kang, Shuhui Kline, R. Joseph DeLongchamp, Dean M. Fischer, Daniel A. Wu, Wen-Li Satija, Sushil K. Bonnesen, Peter V. Sha, Jing Ober, Christopher K. TI Characterization of the Non-uniform Reaction in Chemically Amplified Calix[4]resorcinarene Molecular Resist Thin Films SO AUSTRALIAN JOURNAL OF CHEMISTRY LA English DT Article ID LINE-EDGE ROUGHNESS; ABSORPTION FINE-STRUCTURE; AIRBORNE CONTAMINATION; AMPLIFICATION RESISTS; EUV LITHOGRAPHY; BULK CHEMISTRY; PHOTORESIST; PERFORMANCE; SURFACE; SPECTROSCOPY AB The ccc stereoisomer-purified tert-butoxycarbonyloxy-protected calix[4]resorcinarene molecular resists blended with photoacid generator exhibit a non-uniform photoacid-catalyzed reaction in thin films. The surface displays a reduced reaction extent, compared with the bulk, with average surface-layer thickness 7.0 +/- 1.8 nm determined by neutron reflectivity with deuterium-labelled tert-butoxycarbonyloxy groups. Ambient impurities (amines and organic bases) are known to quench surface reactions and contribute, but grazing-incidence X-ray diffraction shows an additional effect that the protected molecular resists are preferentially oriented at the surface, whereas the bulk of the film displays diffuse scattering representative of amorphous packing. The surface deprotection reaction and presence of photoacid were quantified by near-edge X-ray absorption fine-structure measurements. C1 [Prabhu, Vivek M.; Kang, Shuhui; Kline, R. Joseph; DeLongchamp, Dean M.; Wu, Wen-Li] Natl Inst Stand & Technol, Div Polymers, Gaithersburg, MD 20899 USA. [Fischer, Daniel A.] Natl Inst Stand & Technol, Div Ceram, Gaithersburg, MD 20899 USA. [Satija, Sushil K.] Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Bonnesen, Peter V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Sha, Jing; Ober, Christopher K.] Cornell Univ, Ithaca, NY 14853 USA. RP Prabhu, VM (reprint author), Natl Inst Stand & Technol, Div Polymers, Gaithersburg, MD 20899 USA. EM vprabhu@nist.gov RI Kline, Regis/B-8557-2008; Sanders, Susan/G-1957-2011; Bonnesen, Peter/A-1889-2016 OI Bonnesen, Peter/0000-0002-1397-8281 FU Intel Corporation [1893]; NIST [1893]; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; National Science Foundation [DMR-0518785] FX We acknowledge Michael Toney (SSRL) for assistance in GIXD experimentation. This work was supported by a cooperative research and development agreement (CRADA 1893) between Intel Corporation and NIST. A portion of this research was carried out at Oak Ridge National Laboratory's Center for Nanophase Materials Sciences under User Proposal 2008-286, and was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. Cornell Nanoscale Science and Technology Facility (CNF), Cornell Center for Materials Research (CCMR) and a grant from the National Science Foundation (DMR-0518785) are acknowledged for partial support of this work. NR 53 TC 3 Z9 3 U1 2 U2 15 PU CSIRO PUBLISHING PI COLLINGWOOD PA 150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA SN 0004-9425 J9 AUST J CHEM JI Aust. J. Chem. PY 2011 VL 64 IS 8 BP 1065 EP 1073 DI 10.1071/CH11242 PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 809KY UT WOS:000294055500010 ER PT J AU Wolpert, D Jamison, J Newth, D Harre, M AF Wolpert, David Jamison, Julian Newth, David Harre, Michael TI Strategic Choice of Preferences: the Persona Model SO B E JOURNAL OF THEORETICAL ECONOMICS LA English DT Article DE non-rationality; single shot games; Prisoner's Dilemma; Traveler's Dilemma; schelling; emotions; evolution of preferences ID INTERDEPENDENT PREFERENCES; EVOLUTIONARY APPROACH; COOPERATION; GAMES; RECIPROCITY; REPUTATION; ECONOMICS; BEHAVIOR AB Recent work in several fields has established that humans can adopt binding "behavioral" preferences and convincingly signal those preferences to other humans, either via their behavior or via their body language / tone of voice. In this paper, we model the strategic implications of this ability. Our thesis is that through a person's lifetime they (perhaps subconsciously) learn what such signaled, binding behavioral preferences result in the highest value of their actual preferences, given the resultant behavior of other players. We argue that this "persona" model may explain why many interpersonal preferences have the particular form they do. As an illustration, we use the persona model to explain cooperation in non-repeated versions of the Prisoner's Dilemma (PD). We also provide quantitative predictions to distinguish this explanation of cooperation from simply assuming people have actual preferences biased towards cooperation. In particular, we show that the persona model predicts a "crowding out" phenomenon in the PD, in which introducing incentives to cooperate causes players to stop cooperating instead. We also use the persona model to predict a tradeoff between the robustness of cooperation in the PD and the benefit of that cooperation. C1 [Wolpert, David] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Wolpert, David] NASA, Ames Res Ctr, Washington, DC USA. [Jamison, Julian] Yale Univ, New Haven, CT 06520 USA. [Harre, Michael] Univ Sydney, Sydney, NSW 2006, Australia. RP Wolpert, D (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM dhw@santafe.edu; julison@gmail.com; david.newth@csiro.au; mike.harre@gmail.com RI Newth, David/A-1848-2011 OI Newth, David/0000-0001-6882-7440 NR 57 TC 1 Z9 1 U1 2 U2 5 PU WALTER DE GRUYTER & CO PI BERLIN PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY SN 1935-1704 J9 BE J THEOR ECON JI B E J. Theor. Econ. PY 2011 VL 11 IS 1 PG 38 WC Economics SC Business & Economics GA 814OP UT WOS:000294466700001 ER PT B AU Kiley, PJ Donohue, TJ AF Kiley, Patricia J. Donohue, Timothy J. BE Storz, G Hengge, R TI Global Responses of Bacteria to Oxygen Deprivation SO BACTERIAL STRESS RESPONSES, 2ND EDITION LA English DT Article; Book Chapter ID PHOTOSYNTHESIS GENE-EXPRESSION; ESCHERICHIA-COLI FNR; 2-COMPONENT REGULATORY SYSTEM; RHODOBACTER-SPHAEROIDES 2.4.1; IRON-SULFUR CLUSTER; BLUE-LIGHT PHOTORECEPTOR; HISTIDINE KINASE PRRB; CYTOCHROME C(2) GENE; DNA-BINDING; BRADYRHIZOBIUM-JAPONICUM AB The availability of O(2) has major consequences for the function of many biological pathways. In bacteria, O(2) availability controls the use of energetic pathways (fermentation, respiration, photosynthesis in anaerobic phototrophic bacteria, etc.) and acquisition of essential nutrients (N(2), CO(2), etc.) that are critical to viability of cells, communities, or entire ecosystems. The advent of genomics and global approaches in the last 10 years has identified an ever increasing diversity of functions regulated by O(2) availability that includes expected metabolic functions but also many unexpected activities and gene products of unknown function. In addition, there has been a significant increase in the number of transcriptional regulators, particularly two-component sensor kinase-response regulators, which have been found to respond to O(2) deprivation. In addition to using previously described flavins, heme, and [Fe-S] clusters to sense changes in O(2) availability, one new theme that has emerged is the use of quinones to indirectly report on O(2)-dependent changes in the flux of electron transport chains. We review how the study of these sensing mechanisms is also providing new insight into the sophisticated rewiring of cells in response to O(2) limitation. C1 [Kiley, Patricia J.] Univ Wisconsin, Dept Biomol Chem, Madison, WI 53706 USA. [Kiley, Patricia J.; Donohue, Timothy J.] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. [Donohue, Timothy J.] Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA. RP Kiley, PJ (reprint author), Univ Wisconsin, Dept Biomol Chem, Madison, WI 53706 USA. OI Donohue, Timothy/0000-0001-8738-2467 NR 137 TC 5 Z9 5 U1 0 U2 3 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N STREET NW, WASHINGTON, DC 20036-2904 USA BN 978-1-55581-621-6 PY 2011 BP 175 EP 189 PG 15 WC Microbiology SC Microbiology GA BSJ67 UT WOS:000284726100011 ER PT J AU Song, B Park, H Lu, WY Chen, W AF Song, B. Park, H. Lu, W. -Y. Chen, W. BE Baker, E Templeton, D TI TRANSVERSE IMPACT RESPONSE OF A LINEAR ELASTIC BALLISTIC FIBER YARN SO BALLISTICS 2011: 26TH INTERNATIONAL SYMPOSIUM ON BALLISTICS, VOL 1 AND VOL 2 LA English DT Proceedings Paper CT 26th International Symposium on Ballistics CY SEP 12-16, 2011 CL Miami, FL SP Ballist Div Natl Def Ind Assoc (NDIA) AB Transverse impact response of a linear elastic Kevlar (R) KM2 fiber yarn was determined at various striking speeds from Hopkinson bar and gas gun experiments. High-speed imaging techniques were incorporated to photograph the fiber yarn deformation under high-speed transverse impact. Upon transverse impact, longitudinal and transverse wave were produced in the fiber yarn. Euler transverse wave speed varies with external transverse impact speed. The relationship between the Euler transverse wave speed and the impact speed were experimentally determined and analytically modeled, respectively. The analytical model agrees well with the experimental results. Longitudinal wave speed was found to be critical in the ballistic performance of the fiber yarn in terms of transverse wave speed. C1 [Song, B.; Lu, W. -Y.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Song, B (reprint author), Sandia Natl Labs, 7011 East Ave, Livermore, CA 94551 USA. RI Song, Bo/D-3945-2011 NR 7 TC 0 Z9 0 U1 1 U2 1 PU DESTECH PUBLICATIONS, INC PI LANCASTER PA 439 DUKE STREET, LANCASTER, PA 17602-4967 USA BN 978-1-60595-052-5 PY 2011 BP 1296 EP 1301 PG 6 WC Engineering, Multidisciplinary; Mechanics SC Engineering; Mechanics GA BXY64 UT WOS:000297632200137 ER PT J AU Mason, TA Stanfield, J Neidert, JB AF Mason, T. A. Stanfield, J. Neidert, J. B. BE Baker, E Templeton, D TI DAMAGE MECHANISMS IN DYNAMICALLY LOADED AISI 4130 STEEL SO BALLISTICS 2011: 26TH INTERNATIONAL SYMPOSIUM ON BALLISTICS, VOL 1 AND VOL 2 LA English DT Proceedings Paper CT 26th International Symposium on Ballistics CY SEP 12-16, 2011 CL Miami, FL SP Ballist Div Natl Def Ind Assoc (NDIA) ID IMPACT AB Recent ballistic testing on inert, two-dimensional models of rocket motor geometries revealed that the failure mode of the AISI 4130 rocket motor case transitioned with increased fragment impact velocity. At lower velocities, the recovered portions of the cover plate exhibited a failure dominated by large-strain, strain localizations. At higher velocities, the failure mode appears to be spall related as evidenced by the failure surface being covered with interconnected voids. The results of these ballistic tests will be briefly explored along with characterizations of the recovered hardware. An explosively-driven test series was designed to study the spall behavior of this normalized AISI 4130 sheet stock and compare it with the behavior of two other 4130 feed stocks. Details of this small-scale test series will be discussed along with preliminary test results. C1 [Mason, T. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Mason, TA (reprint author), Los Alamos Natl Lab, MS P950,POB 1663, Los Alamos, NM 87545 USA. NR 8 TC 0 Z9 0 U1 1 U2 3 PU DESTECH PUBLICATIONS, INC PI LANCASTER PA 439 DUKE STREET, LANCASTER, PA 17602-4967 USA BN 978-1-60595-052-5 PY 2011 BP 1812 EP 1820 PG 9 WC Engineering, Multidisciplinary; Mechanics SC Engineering; Mechanics GA BXY64 UT WOS:000297632200196 ER PT J AU Leininger, LD Minkoff, SA Dorgan, RJ DeFisher, SE Springer, HK McCallen, RC AF Leininger, L. D. Minkoff, S. A. Dorgan, R. J. DeFisher, S. E. Springer, H. K. McCallen, R. C. BE Baker, E Templeton, D TI CAPABILITY IMPROVEMENTS FOR MODELING FRAGMENT IMPACT IN ALE3D SO BALLISTICS 2011: 26TH INTERNATIONAL SYMPOSIUM ON BALLISTICS, VOL 1 AND VOL 2 LA English DT Proceedings Paper CT 26th International Symposium on Ballistics CY SEP 12-16, 2011 CL Miami, FL SP Ballist Div Natl Def Ind Assoc (NDIA) AB The response of confined high explosive warheads or energetic devices to the various external stimuli (e.g. bullet and/or fragment impact) is of critical importance to the U.S. Department of Defense (DoD) and U.S. Department of Energy (DOE). To understand this phenomenon, numerous experiments on a range of propellants and explosives have been performed by both the DoD and DOE. The example, the Army Burn to Violent Reaction (ABVR) series [1] was created to provide a screening tool for potential propellants and will be used here as part of a BETA test to verify new computational capabilities. The ABVR tests also provides an experimental data set to quantify the debris cloud formed from unreacted propellant (post-impact) used to calibrate computational methods. This paper will briefly introduce the range of computational capabilities which have been developed and/or applied in the ALE3D [2] multi-physics hydrodynamics code to solve these problems of interest. This includes of chemistry and initiation algorithms; development of an element erosion capability that is compatible with automatic-contact slide surfaces; as well as the addition of a Smooth Particle Hydrodynamics (SPH) numerical formulation that can be coupled to element erosion. C1 [Leininger, L. D.; Minkoff, S. A.; Springer, H. K.; McCallen, R. C.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Leininger, LD (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA. NR 5 TC 0 Z9 0 U1 0 U2 4 PU DESTECH PUBLICATIONS, INC PI LANCASTER PA 439 DUKE STREET, LANCASTER, PA 17602-4967 USA BN 978-1-60595-052-5 PY 2011 BP 2151 EP 2162 PG 12 WC Engineering, Multidisciplinary; Mechanics SC Engineering; Mechanics GA BXY64 UT WOS:000297632200231 ER PT J AU Chabera, P Durchan, M Shih, PM Kerfeld, CA Polivka, T AF Chabera, Pavel Durchan, Milan Shih, Patrick M. Kerfeld, Cheryl A. Polivka, Tomas TI Excited-state properties of the 16 kDa red carotenoid protein from Arthrospira maxima SO BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS LA English DT Article DE Cyanobacteria; Photoprotection; Carotenoid; Excited-state; Carotenoid-binding protein ID ULTRAFAST DYNAMICS; SPECTROSCOPIC PROPERTIES; BINDING-PROTEIN; PHOTOSYSTEM-II; CYANOBACTERIA; PHOTOPROTECTION; SPECTRA; ENERGY; FLUORESCENCE; DISSIPATION AB We have studied spectroscopic properties of the 16 kDa red carotenoid protein (RCP), which is closely related to the orange carotenoid protein (OCP) from cyanobacteria. Both proteins bind the same chromophore, the carotenoid 3'-hydroxyechinenone (hECN), and the major difference between the two proteins is lack of the C-terminal domain in the RCP; this results in exposure of part of the carotenoid. The excited-state lifetime of hECN in the RCP is 5.5 ps, which is markedly longer than in OCP (3.3 ps) but close to 6 ps obtained for hECN in organic solvent. This confirms that the binding of hECN to the C-terminal domain in the OCP changes conformation of hECN, thereby altering its excited-state properties. Hydrogen bonds between the C-terminal domain and the carotenoid are also absent in the RCP. This allows the conformation of hECN in the RCP to be similar to that in solution, which results in comparable excited-state properties of hECN in solution. The red-shift of the RCP absorption spectrum is most likely due to aggregation of RCP induced by hydrophobic nature of hECN that, when exposed to buffer, stimulates formation of assemblies minimizing contact of hECN with water. We suggest that the loss of the C-terminal domain renders the protein amphipathic, containing both hydrophobic (the exposed part of hECN) and hydrophilic (N-terminal domain) regions, and may help the RCP to interact with lipid membranes; exposed hECN can penetrate into the hydrophobic environment of the lipid membrane, possibly to provide additional photoprotection. (C) 2010 Elsevier B.V. All rights reserved. C1 [Chabera, Pavel; Durchan, Milan; Polivka, Tomas] Univ S Bohemia, Inst Phys Biol, CZ-37333 Nove Hrady, Czech Republic. [Durchan, Milan; Polivka, Tomas] Acad Sci Czech Republic, Ctr Biol, Ceske Budejovice, Czech Republic. [Shih, Patrick M.; Kerfeld, Cheryl A.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Kerfeld, Cheryl A.] US DOE, Joint Genome Inst, Walnut Creek, CA USA. RP Polivka, T (reprint author), Univ S Bohemia, Inst Phys Biol, Zamek 136, CZ-37333 Nove Hrady, Czech Republic. EM polivka@ufb.jcu.cz RI Polivka, Tomas/G-9564-2014; Durchan, Milan/G-9464-2014; Chabera, Pavel/B-4202-2014 OI Polivka, Tomas/0000-0002-6176-0420; Chabera, Pavel/0000-0002-0531-5138 FU Czech Ministry of Education [MSM6007665808, AV0Z50510513]; Czech Science Foundation [202/09/1330]; Office of Science of the U.S. Department of Energy [DE-ACO2-05CH11231]; National Science Foundation (NSF) [MCB 0851094] FX Research in Czech Republic was supported by grants from the Czech Ministry of Education (MSM6007665808 and AV0Z50510513), and the Czech Science Foundation (202/09/1330). CAK's work conducted by the U.S. Department of Energy Joint Genome Institute is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-ACO2-05CH11231. PMS and CAK are also supported by a grant from the National Science Foundation (NSF MCB 0851094). NR 40 TC 14 Z9 14 U1 2 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0005-2728 EI 0006-3002 J9 BBA-BIOENERGETICS JI Biochim. Biophys. Acta-Bioenerg. PD JAN PY 2011 VL 1807 IS 1 BP 30 EP 35 DI 10.1016/j.bbabio.2010.08.013 PG 6 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 691ZM UT WOS:000285121300004 PM 20813093 ER PT J AU Anderton, CR Lou, KY Weber, PK Hutcheon, ID Kraft, ML AF Anderton, Christopher R. Lou, Kaiyan Weber, Peter K. Hutcheon, Ian D. Kraft, Mary L. TI Correlated AFM and NanoSIMS imaging to probe cholesterol-induced changes in phase behavior and non-ideal mixing in ternary lipid membranes SO BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES LA English DT Article DE Secondary ion mass spectrometry; Atomic force microscopy; Lipid phase behavior; Cholesterol; Lipid composition; Phase separation ID ION MASS-SPECTROMETRY; ATOMIC-FORCE MICROSCOPY; FLUORESCENCE MICROSCOPY; TOF-SIMS; DOMAIN MICROSTRUCTURE; BILAYER-MEMBRANES; CELL-MEMBRANES; RAFTS; RESOLUTION; MIXTURES AB Cholesterol is believed to be an important component in compositionally distinct lipid domains in the cellular plasma membrane, which are referred to as lipid rafts. Insight into how cholesterol influences the interactions that contribute to plasma membrane organization can be acquired from model lipid membranes. Here we characterize the lipid mixing and phase behavior exhibited by (15)N-dilaurolyphosphatidycholine ((15)N-DLPC)/deuterated distearoylphosphatiylcholine (D(70)-DSPC) membranes with various amounts of cholesterol (0, 3, 7, 15 or 19 mol%) at room temperature. The microstructures and compositions of individual membrane domains were determined by imaging the same membrane locations with both atomic force microscopy (AFM) and high-resolution secondary ion mass spectrometry (SIMS) performed with a Cameca NanoSIMS 50. As the cholesterol composition increased from 0 to 19 mol%, the circular ordered domains became more elongated, and the amount of (15)N-DLPC in the gel-phase domains remained constant at 6-7 mol%. Individual and micron-sized clusters of nanoscopic domains enriched in D(70)-DSPC were abundant in the 19 mol% cholesterol membrane. AFM imaging showed that these lipid domains had irregular borders, indicating that they were gel-phase domains, and not non-ideally mixed lipid clusters or nanoscopic liquid-ordered domains. (C) 2010 Elsevier B.V. All rights reserved. C1 [Lou, Kaiyan; Kraft, Mary L.] Univ Illinois, Dept Chem & Biomol Engn, Urbana, IL 61801 USA. [Anderton, Christopher R.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. [Weber, Peter K.; Hutcheon, Ian D.] Lawrence Livermore Natl Lab, Glenn Seaborg Inst, Livermore, CA 94551 USA. RP Kraft, ML (reprint author), Univ Illinois, Dept Chem & Biomol Engn, Urbana, IL 61801 USA. EM mlkraft@illinois.edu RI Lou, Kaiyan/D-4199-2012 OI Lou, Kaiyan/0000-0003-3443-0343 FU Burroughs Wellcome Fund; U.S. Department of Energy (DOE) [DE-FG02-07ER46453, DE-FG02-07ER46471, DE-AC52-07NA27344]; Laboratory Directed Research and Development FX We thank S. MacLaren for the helpful discussions on AFM, W. Hanafin for the assistance with the assays, S. Boxer for the oxidized silicon substrates, C. Ramon for the technical assistance, and L Nittler for the software development. MLK holds a Career Award at the Scientific Interface from the Burroughs Wellcome Fund. Portions of this work were carried out in the Frederick Seitz Materials Research Laboratory Central Facilities, Univ. of Illinois, which are partially supported by the U.S. Department of Energy (DOE) under grants DE-FG02-07ER46453 and DE-FG02-07ER46471. Work at LLNL was supported by the Laboratory Directed Research and Development funding and performed under the auspices of the U.S. DOE under contract DE-AC52-07NA27344. NR 52 TC 25 Z9 25 U1 1 U2 34 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0005-2736 J9 BBA-BIOMEMBRANES JI Biochim. Biophys. Acta-Biomembr. PD JAN PY 2011 VL 1808 IS 1 BP 307 EP 315 DI 10.1016/j.bbamem.2010.09.016 PG 9 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 701VX UT WOS:000285853800033 PM 20883665 ER PT J AU Davern, S Murphy, CL O'Neill, H Wall, JS Weiss, DT Solomon, A AF Davern, S. Murphy, C. L. O'Neill, H. Wall, J. S. Weiss, D. T. Solomon, A. TI Effect of lysine modification on the stability and cellular binding of human amyloidogenic light chains SO BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR BASIS OF DISEASE LA English DT Article DE AL amyloidosis; light chain; lysine modification; human cells; adhesion; stability ID GLYCATION END-PRODUCTS; PRIMARY SYSTEMIC AMYLOIDOSIS; DIALYSIS-RELATED AMYLOIDOSIS; HUMAN-SERUM-ALBUMIN; NONENZYMATIC GLYCATION; VARIABLE-DOMAIN; PROTEINS; RECEPTOR; COMMON; AGGREGATION AB AL amyloidosis is characterized by the pathologic deposition as fibrils of monoclonal light chains (i.e., Bence Jones proteins [BjPs]) in particular organs and tissues. This phenomenon has been attributed to the presence in amyloidogenic proteins of particular amino acids that cause these molecules to become unstable, as well as post-translational modifications and, in regard to the latter, we have investigated the effect of biotinylation of lysyl residues on cell binding. We utilized an experimental system designed to test if BJPs obtained from patients with AL amyloidosis or, as a control, multiple myeloma (MM), bound human fibroblasts and renal epithelial cells. As documented by fluorescence microscopy and ELISA, the amyloidogenic BJPs, as compared with MM components, bound preferentially and this reactivity increased significantly after chemical modification of their lysyl residues with sulfo-NHS-biotin. Further, based on tryptophan fluorescence and circular dichroism data, it was apparent that their conformation was altered, which we hypothesize exposed a binding site not accessible on the native protein. The results of our studies indicate that post-translational structural modifications of pathologic light chains can enhance their capacity for cellular interaction and thus may contribute to the pathogenesis of AL amyloidosis and multiple myeloma. (c) 2010 Elsevier B.V. All rights reserved. C1 [Davern, S.; Murphy, C. L.; Wall, J. S.; Weiss, D. T.; Solomon, A.] Univ Tennessee, Grad Sch Med, Dept Med, Human Immunol & Canc Program, Knoxville, TN 37920 USA. [O'Neill, H.] Oak Ridge Natl Lab, Div Chem Sci, Ctr Struct Mol Biol, Oak Ridge, TN 37831 USA. RP Davern, S (reprint author), Oak Ridge Natl Lab, Biosci Div, POB 2008, Oak Ridge, TN 37831 USA. EM davernsm@ornl.gov OI O'Neill, Hugh/0000-0003-2966-5527 FU National Cancer Institute/National Institute of Diabetes and Digestive and Kidney Diseases [CA10056]; Asian Foundation; Office of Biological and Environmental Research, U. S. Department of Energy (DOE) [ERKP291]; U.S. DOE [DE-AC05-00OR22725] FX This work was supported by Research Grant CA10056 from the National Cancer Institute/National Institute of Diabetes and Digestive and Kidney Diseases and by the Asian Foundation. A. S. is an American Cancer Society Clinical Research Professor. The authors thank Sallie Macy and Teresa Williams for their excellent technical assistance. H.O'N acknowledges the Center for Structural Molecular Biology (Project ERKP291) at Oak Ridge National Laboratory (ORNL), supported by the Office of Biological and Environmental Research, U. S. Department of Energy (DOE). ORNL is managed by UT-Battelle, LLC, for the U.S. DOE under contract No. DE-AC05-00OR22725. NR 41 TC 4 Z9 4 U1 1 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0925-4439 J9 BBA-MOL BASIS DIS JI Biochim. Biophys. Acta-Mol. Basis Dis. PD JAN PY 2011 VL 1812 IS 1 BP 32 EP 40 DI 10.1016/j.bbadis.2010.07.022 PG 9 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 694TI UT WOS:000285321500004 PM 20692337 ER PT B AU Kerfeld, CA Kirilovsky, D AF Kerfeld, Cheryl A. Kirilovsky, Diana BE Peschek, GA Obinger, C Renger, G TI Photoprotection in Cyanobacteria: The Orange Carotenoid Protein and Energy Dissipation SO BIOENERGETIC PROCESSES OF CYANOBACTERIA: FROM EVOLUTIONARY SINGULARITY TO ECOLOGICAL DIVERSITY LA English DT Article; Book Chapter ID PHOTOACTIVE YELLOW PROTEIN; MEDIATED SIGNAL-TRANSDUCTION; SYNECHOCYSTIS SP PCC-6803; PHOTOTROPIN 1 LOV2; PHOTOSYSTEM-II; BLUE-LIGHT; PHYCOBILISOME FLUORESCENCE; PORPHYRIDIUM-CRUENTUM; STRUCTURAL-CHANGES; STATE TRANSITIONS C1 [Kerfeld, Cheryl A.] Joint Genome Inst, USDA, Walnut Creek, CA 94598 USA. [Kerfeld, Cheryl A.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Kirilovsky, Diana] CEA Saclay, Inst Biol & Technol Saclay iBiTec S, CEA, F-91191 Gif Sur Yvette, France. RP Kerfeld, CA (reprint author), Joint Genome Inst, USDA, 2800 Mitchell Dr, Walnut Creek, CA 94598 USA. EM ckerfeld@lbl.gov NR 72 TC 1 Z9 1 U1 0 U2 2 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY BN 978-94-007-0352-0 PY 2011 BP 395 EP 421 DI 10.1007/978-94-007-0388-9_14 D2 10.1007/978-94-007-0388-9 PG 27 WC Biochemistry & Molecular Biology; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA BVP50 UT WOS:000292220100014 ER PT B AU Ho, KK Kerfeld, CA Krogmann, DW AF Ho, Kwok Ki Kerfeld, Cheryl A. Krogmann, David W. BE Peschek, GA Obinger, C Renger, G TI The Water-Soluble Cytochromes of Cyanobacteria SO BIOENERGETIC PROCESSES OF CYANOBACTERIA: FROM EVOLUTIONARY SINGULARITY TO ECOLOGICAL DIVERSITY LA English DT Article; Book Chapter ID BLUE-GREEN ALGA; SYNECHOCYSTIS SP PCC-6803; 554 ANACYSTIS NIDULANS; C-TYPE CYTOCHROME; THERMOSYNECHOCOCCUS-ELONGATUS; PLECTONEMA-BORYANUM; FUNCTIONAL-ANALYSIS; ARTHROSPIRA-MAXIMA; ELECTRON-DONORS; PLASTOCYANIN C1 [Ho, Kwok Ki; Krogmann, David W.] Purdue Univ, Dept Biochem, W Lafayette, IN 47907 USA. [Kerfeld, Cheryl A.] Joint Genome Inst, USDA, Walnut Creek, CA 94598 USA. RP Krogmann, DW (reprint author), Purdue Univ, Dept Biochem, 175 S Univ St, W Lafayette, IN 47907 USA. EM ckerfeld@lbl.gov; krogmann@purdue.edu NR 56 TC 5 Z9 5 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY BN 978-94-007-0352-0 PY 2011 BP 515 EP 540 DI 10.1007/978-94-007-0388-9_18 D2 10.1007/978-94-007-0388-9 PG 26 WC Biochemistry & Molecular Biology; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA BVP50 UT WOS:000292220100018 ER PT J AU Yang, XH Li, T Weston, D Karve, A Labbe, JL Gunter, LE Sukumar, P Borland, A Chen, JG Wullschleger, SD Tschaplinski, TJ Tuskan, GA AF Yang, Xiaohan Li, Ting Weston, David Karve, Abhijit Labbe, Jessy L. Gunter, Lee E. Sukumar, Poornima Borland, Anne Chen, Jin-Gui Wullschleger, Stan D. Tschaplinski, Timothy J. Tuskan, Gerald A. BE Bernardes, MAD TI Innovative Biological Solutions to Challenges in Sustainable Biofuels Production SO BIOFUEL PRODUCTION - RECENT DEVELOPMENTS AND PROSPECTS LA English DT Article; Book Chapter ID NITROGEN-USE-EFFICIENCY; ARBUSCULAR MYCORRHIZAL FUNGI; CRASSULACEAN ACID METABOLISM; JATROPHA-CURCAS L.; AGROBACTERIUM-MEDIATED TRANSFORMATION; GROWTH-PROMOTING RHIZOBACTERIA; PLANT-GROWTH; CLOSTRIDIUM-THERMOCELLUM; SYNTHETIC BIOLOGY; ETHANOL-PRODUCTION C1 [Yang, Xiaohan; Li, Ting; Weston, David; Karve, Abhijit; Labbe, Jessy L.; Gunter, Lee E.; Sukumar, Poornima; Chen, Jin-Gui; Tschaplinski, Timothy J.; Tuskan, Gerald A.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Gunter, Lee E.; Tschaplinski, Timothy J.; Tuskan, Gerald A.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN USA. [Borland, Anne] Newcastle Univ, Newcastle Inst Res Sustainabil, Newcastle Upon Tyne, Tyne & Wear, England. [Wullschleger, Stan D.] Oak Ridge Natl Lab, Environm Sci Div, Oak Ridge, TN USA. RP Yang, XH (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RI Yang, Xiaohan/A-6975-2011 OI Yang, Xiaohan/0000-0001-5207-4210 NR 245 TC 1 Z9 1 U1 1 U2 1 PU INTECH EUROPE PI RIJEKA PA JANEZA TRDINE9, RIJEKA, 51000, CROATIA BN 978-953-307-478-8 PY 2011 BP 375 EP 414 D2 10.5772/959 PG 40 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA BG1KK UT WOS:000386855000016 ER PT J AU Varanasi, P Sun, L Knierim, B Bosneaga, E Sarkar, P Singh, S Auer, M AF Varanasi, Patanjali Sun, Lan Knierim, Bernhard Bosneaga, Elena Sarkar, Purbasha Singh, Seema Auer, Manfred BE Bernardes, MAD TI Quantifying Bio-Engineering: The Importance of Biophysics in Biofuel Research SO BIOFUEL'S ENGINEERING PROCESS TECHNOLOGY LA English DT Article; Book Chapter ID PLANT-CELL WALLS; DIFFERENTIAL SCANNING CALORIMETRY; CHROMATOGRAPHY-MASS-SPECTROMETRY; CINNAMYL ALCOHOL-DEHYDROGENASE; IONIC LIQUID PRETREATMENT; MISCANTHUS-X-GIGANTEUS; LIGNIN ANALYSIS; DFRC METHOD; CELLULOSE MICROFIBRILS; DILUTE-ACID C1 [Varanasi, Patanjali; Sun, Lan; Knierim, Bernhard; Singh, Seema; Auer, Manfred] Lawrence Berkeley Natl Lab, Phys Biosci Div, Joint BioEnergy Inst, Emeryville, CA 94608 USA. [Varanasi, Patanjali; Sun, Lan; Knierim, Bernhard; Bosneaga, Elena; Sarkar, Purbasha; Auer, Manfred] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA USA. [Varanasi, Patanjali; Sun, Lan; Singh, Seema] Sandia Natl Labs, Biomass Sci & Convers Technol Dept, Livermore, CA USA. [Bosneaga, Elena; Sarkar, Purbasha; Auer, Manfred] Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA USA. RP Varanasi, P (reprint author), Lawrence Berkeley Natl Lab, Phys Biosci Div, Joint BioEnergy Inst, Emeryville, CA 94608 USA. NR 144 TC 0 Z9 0 U1 0 U2 0 PU INTECH EUROPE PI RIJEKA PA JANEZA TRDINE9, RIJEKA, 51000, CROATIA BN 978-953-307-480-1 PY 2011 BP 493 EP 520 D2 10.5772/961 PG 28 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA BG1KJ UT WOS:000386854700022 ER PT J AU Yuan, W Luo, Y Liang, S Yu, G Niu, S Stoy, P Chen, J Desai, AR Lindroth, A Gough, CM Ceulemans, R Arain, A Bernhofer, C Cook, B Cook, DR Dragoni, D Gielen, B Janssens, IA Longdoz, B Liu, H Lund, M Matteucci, G Moors, E Scott, RL Seufert, G Varner, R AF Yuan, W. Luo, Y. Liang, S. Yu, G. Niu, S. Stoy, P. Chen, J. Desai, A. R. Lindroth, A. Gough, C. M. Ceulemans, R. Arain, A. Bernhofer, C. Cook, B. Cook, D. R. Dragoni, D. Gielen, B. Janssens, I. A. Longdoz, B. Liu, H. Lund, M. Matteucci, G. Moors, E. Scott, R. L. Seufert, G. Varner, R. TI Thermal adaptation of net ecosystem exchange SO BIOGEOSCIENCES LA English DT Article ID CARBON-DIOXIDE EXCHANGE; LONG-TERM MEASUREMENTS; OAK-DOMINATED FOREST; SCOTS PINE FOREST; SUB-ALPINE FOREST; SOIL RESPIRATION; DECIDUOUS FOREST; INTERANNUAL VARIABILITY; TEMPERATE FOREST; EUROPEAN FORESTS AB Thermal adaptation of gross primary production and ecosystem respiration has been well documented over broad thermal gradients. However, no study has examined their interaction as a function of temperature, i.e. the thermal responses of net ecosystem exchange of carbon (NEE). In this study, we constructed temperature response curves of NEE against temperature using 380 site-years of eddy covariance data at 72 forest, grassland and shrubland ecosystems located at latitudes ranging from similar to 29 degrees N to 64 degrees N. The response curves were used to define two critical temperatures: transition temperature (T-b) at which ecosystem transfer from carbon source to sink and optimal temperature (T-o) at which carbon uptake is maximized. T-b was strongly correlated with annual mean air temperature. T-o was strongly correlated with mean temperature during the net carbon uptake period across the study ecosystems. Our results imply that the net ecosystem exchange of carbon adapts to the temperature across the geographical range due to intrinsic connections between vegetation primary production and ecosystem respiration. C1 [Yuan, W.; Liang, S.] Beijing Normal Univ, Coll Global Change & Earth Syst Sci, Beijing 100875, Peoples R China. [Yuan, W.; Luo, Y.; Niu, S.] Univ Oklahoma, Dept Bot & Microbiol, Norman, OK 73019 USA. [Liang, S.] Univ Maryland, Dept Geog, College Pk, MD 20742 USA. [Yu, G.] Chinese Acad Sci, Inst Geog Sci & Nat Resources Res, Synth Res Ctr Chinese Ecosyst Res Network, Key Lab Ecosyst Network Observat & Modeling, Beijing 100101, Peoples R China. [Niu, S.] Chinese Acad Sci, Inst Bot, State Key Lab Vegetat & Environm Change, Beijing 100093, Peoples R China. [Stoy, P.] Montana State Univ, Dept Land Resources & Environm Sci, Bozeman, MT 59717 USA. [Chen, J.] Univ Toledo, Dept Environm Sci, Toledo, OH 43606 USA. [Desai, A. R.] Univ Wisconsin, Atmospher & Ocean Sci Dept, Madison, WI 53706 USA. [Lindroth, A.] Lund Univ, Dept Phys Geog & Ecosyst Anal, S-22362 Lund, Sweden. [Gough, C. M.] Virginia Commonwealth Univ, Dept Biol, Richmond, VA 23284 USA. [Ceulemans, R.; Gielen, B.; Janssens, I. A.] Univ Antwerp, Dept Biol, B-2610 Antwerp, Belgium. [Arain, A.] McMaster Univ, Sch Geog & Earth Sci, Hamilton, ON L8S 4K1, Canada. [Arain, A.] McMaster Univ, McMaster Ctr Climate Change, Hamilton, ON L8S 4K1, Canada. [Bernhofer, C.] Tech Univ Dresden, Inst Hydrol & Meteorol, D-01737 Tharandt, Germany. [Cook, B.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Cook, D. R.] Argonne Natl Lab, Div Environm Sci, Climate Res Sect, Argonne, IL 60439 USA. [Dragoni, D.] Indiana Univ, Dept Geog, Atmospher Sci Program, Bloomington, IN 47405 USA. [Longdoz, B.] INRA, Ctr Nancy, Ecol & Ecophysiol Forestieres UMR1137, F-54280 Seichamps, France. [Liu, H.] Washington State Univ, Dept Civil & Environm Engn, Lab Atmospher Res, Pullman, WA 99164 USA. [Lund, M.] Aarhus Univ, Natl Environm Res Inst, Dept Arctic Environm, DK-4000 Roskilde, Denmark. [Matteucci, G.] Inst Agr & Forestry Syst Mediterranean, I-87036 Arcavacata Di Rende, Italy. [Moors, E.] Alterra Wageningen UR, ESS CC, NL-6700 AA Wageningen, Netherlands. [Scott, R. L.] ARS, SW Watershed Res Ctr, USDA, Tucson, AZ 85719 USA. [Seufert, G.] Joint Res Ctr European Commiss, Inst Environm & Sustainabil, I-21027 Ispra, Italy. [Varner, R.] Univ New Hampshire, Inst Study Earth Oceans & Space & Earth Sci, Durham, NH 03824 USA. RP Yuan, W (reprint author), Beijing Normal Univ, Coll Global Change & Earth Syst Sci, Beijing 100875, Peoples R China. EM wenpingyuancn@yahoo.com RI Niu, Shuli/E-7550-2011; Chen, Jiquan/D-1955-2009; Moors, Eddy/J-5165-2012; Lund, Magnus/J-4922-2013; Cook, Bruce/M-4828-2013; Lindroth, Anders/N-4697-2014; 于, 贵瑞/C-1768-2014; Desai, Ankur/A-5899-2008; liang, shunlin/C-2809-2015; Seufert, Gunther/J-9918-2013; Varner, Ruth/E-5371-2011; Matteucci, Giorgio/N-3526-2015; Ceulemans, Reinhart/F-2109-2016; li, wenchao/S-5567-2016; Janssens, Ivan/P-1331-2014; OI Moors, Eddy/0000-0003-2309-2887; Lund, Magnus/0000-0003-1622-2305; Cook, Bruce/0000-0002-8528-000X; Lindroth, Anders/0000-0002-7669-784X; Desai, Ankur/0000-0002-5226-6041; Seufert, Gunther/0000-0002-6019-6688; Varner, Ruth/0000-0002-3571-6629; Matteucci, Giorgio/0000-0002-4790-9540; Janssens, Ivan/0000-0002-5705-1787; Arain, M. Altaf/0000-0002-1433-5173 FU National Key Basic Research and Development Plan of China [2010CB833504]; Fundamental Research Funds for the Central Universities, US National Science Foundation (NSF) [DEB 0444518]; Office of Science, US Department of Energy [DE-FG02-006ER64317]; Research Center of Excellence ECO FX This research was financially supported by National Key Basic Research and Development Plan of China (2010CB833504), the Fundamental Research Funds for the Central Universities, US National Science Foundation (NSF) under DEB 0444518, and the Terrestrial Carbon Program at the Office of Science, US Department of Energy, Grants No.: DE-FG02-006ER64317. Research at the University of Antwerp was financially supported by the Research Center of Excellence ECO. We acknowledge the work of principal investigators and collaborators in EC sites, who provided the eddy covariance flux measurements. NR 89 TC 12 Z9 12 U1 2 U2 32 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1726-4170 EI 1726-4189 J9 BIOGEOSCIENCES JI Biogeosciences PY 2011 VL 8 IS 6 BP 1453 EP 1463 DI 10.5194/bg-8-1453-2011 PG 11 WC Ecology; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 781OL UT WOS:000291942900003 ER PT J AU Riley, WJ Subin, ZM Lawrence, DM Swenson, SC Torn, MS Meng, L Mahowald, NM Hess, P AF Riley, W. J. Subin, Z. M. Lawrence, D. M. Swenson, S. C. Torn, M. S. Meng, L. Mahowald, N. M. Hess, P. TI Barriers to predicting changes in global terrestrial methane fluxes: analyses using CLM4Me, a methane biogeochemistry model integrated in CESM SO BIOGEOSCIENCES LA English DT Article ID EMERGENT AQUATIC MACROPHYTES; GAS-TRANSPORT MECHANISMS; NATURAL WETLANDS; ATMOSPHERIC METHANE; CLIMATE-CHANGE; CH4 EMISSIONS; SENSITIVITY-ANALYSIS; NORTHERN WETLANDS; SOIL RESPIRATION; RIVER FLOODPLAIN AB Terrestrial net CH4 surface fluxes often represent the difference between much larger gross production and consumption fluxes and depend on multiple physical, biological, and chemical mechanisms that are poorly understood and represented in regional-and global-scale biogeochemical models. To characterize uncertainties, study feedbacks between CH4 fluxes and climate, and to guide future model development and experimentation, we developed and tested a new CH4 biogeochemistry model (CLM4Me) integrated in the land component (Community Land Model; CLM4) of the Community Earth System Model (CESM1). CLM4Me includes representations of CH4 production, oxidation, aerenchyma transport, ebullition, aqueous and gaseous diffusion, and fractional inundation. As with most global models, CLM4 lacks important features for predicting current and future CH4 fluxes, including: vertical representation of soil organic matter, accurate subgrid scale hydrology, realistic representation of inundated system vegetation, anaerobic decomposition, thermokarst dynamics, and aqueous chemistry. We compared the seasonality and magnitude of predicted CH4 emissions to observations from 18 sites and three global atmospheric inversions. Simulated net CH4 emissions using our baseline parameter set were 270, 160, 50, and 70 Tg CH4 yr(-1) globally, in the tropics, in the temperate zone, and north of 45 degrees N, respectively; these values are within the range of previous estimates. We then used the model to characterize the sensitivity of regional and global CH4 emission estimates to uncertainties in model parameterizations. Of the parameters we tested, the temperature sensitivity of CH4 production, oxidation parameters, and aerenchyma properties had the largest impacts on net CH4 emissions, up to a factor of 4 and 10 at the regional and gridcell scales, respectively. In spite of these uncertainties, we were able to demonstrate that emissions from dissolved CH4 in the transpiration stream are small (<1 TgCH(4) yr(-1)) and that uncertainty in CH4 emissions from anoxic microsite production is significant. In a 21st century scenario, we found that predicted declines in high-latitude inundation may limit increases in high-latitude CH4 emissions. Due to the high level of remaining uncertainty, we outline observations and experiments that would facilitate improvement of regional and global CH4 biogeochemical models. C1 [Riley, W. J.; Subin, Z. M.; Torn, M. S.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Lawrence, D. M.; Swenson, S. C.] Natl Ctr Atmospher Res, Climate & Global Dynam Div, NCAR Earth Syst Lab, Boulder, CO 80307 USA. [Meng, L.; Hess, P.] Cornell Univ, Dept Biol & Environm Engn, Ithaca, NY 14850 USA. [Mahowald, N. M.] Cornell Univ, Dept Earth & Atmospher Sci, Ithaca, NY 14853 USA. RP Riley, WJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM wjriley@lbl.gov RI Lawrence, David/C-4026-2011; Subin, Zachary/K-5168-2012; Mahowald, Natalie/D-8388-2013; Meng, Lei/H-5253-2013; Hess, Peter/M-3145-2015; Riley, William/D-3345-2015; Torn, Margaret/D-2305-2015 OI Lawrence, David/0000-0002-2968-3023; Subin, Zachary/0000-0002-9257-9288; Mahowald, Natalie/0000-0002-2873-997X; Hess, Peter/0000-0003-2439-3796; Riley, William/0000-0002-4615-2304; FU Office of Science, Office of Biological and Environmental Research, Climate and Environmental Science Division, of the US Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Science, Office of Biological and Environmental Research, Climate and Environmental Science Division, of the US Department of Energy under Contract No. DE-AC02-05CH11231 to Berkeley Lab. Author contributions: Z. M. S. and W. J. R. developed CLM4Me and performed simulations and analysis; W. J. R. and M. S. T. designed the project; S. C. S. and D. M. L. developed the improvements to frozen soil hydrology and peat physical properties for CLM4; L. M., N. M., and P. H. developed the redox and pH factors; all authors contributed intellectually to the work. NR 145 TC 100 Z9 101 U1 7 U2 94 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1726-4170 EI 1726-4189 J9 BIOGEOSCIENCES JI Biogeosciences PY 2011 VL 8 IS 7 BP 1925 EP 1953 DI 10.5194/bg-8-1925-2011 PG 29 WC Ecology; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 810UT UT WOS:000294153700013 ER PT J AU Chen, M Zhuang, Q Cook, DR Coulter, R Pekour, M Scott, RL Munger, JW Bible, K AF Chen, M. Zhuang, Q. Cook, D. R. Coulter, R. Pekour, M. Scott, R. L. Munger, J. W. Bible, K. TI Quantification of terrestrial ecosystem carbon dynamics in the conterminous United States combining a process-based biogeochemical model and MODIS and AmeriFlux data SO BIOGEOSCIENCES LA English DT Article ID GROSS PRIMARY PRODUCTION; NET PRIMARY PRODUCTION; PRIMARY PRODUCTIVITY; VEGETATION INDEX; SURFACE-TEMPERATURE; NONLINEAR INVERSION; DIOXIDE EXCHANGE; NORTH-AMERICA; WATER-VAPOR; FOREST AB Satellite remote sensing provides continuous temporal and spatial information of terrestrial ecosystems. Using these remote sensing data and eddy flux measurements and biogeochemical models, such as the Terrestrial Ecosystem Model (TEM), should provide a more adequate quantification of carbon dynamics of terrestrial ecosystems. Here we use Moderate Resolution Imaging Spectroradiometer (MODIS) Enhanced Vegetation Index (EVI), Land Surface Water Index (LSWI) and carbon flux data of AmeriFlux to conduct such a study. We first modify the gross primary production (GPP) modeling in TEM by incorporating EVI and LSWI to account for the effects of the changes of canopy photosynthetic capacity, phenology and water stress. Second, we parameterize and verify the new version of TEM with eddy flux data. We then apply the model to the conterminous United States over the period 2000-2005 at a 0.05 degrees x 0.05 degrees spatial resolution. We find that the new version of TEM made improvement over the previous version and generally captured the expected temporal and spatial patterns of regional carbon dynamics. We estimate that regional GPP is between 7.02 and 7.78 Pg C yr(-1) and net primary production (NPP) ranges from 3.81 to 4.38 Pg C yr(-1) and net ecosystem production (NEP) varies within 0.08-0.73 Pg C yr(-1) over the period 2000-2005 for the conterminous United States. The uncertainty due to parameterization is 0.34, 0.65 and 0.18 Pg C yr(-1) for the regional estimates of GPP, NPP and NEP, respectively. The effects of extreme climate and disturbances such as severe drought in 2002 and destructive Hurricane Katrina in 2005 were captured by the model. Our study provides a new independent and more adequate measure of carbon fluxes for the conterminous United States, which will benefit studies of carbon-climate feedback and facilitate policy-making of carbon management and climate. C1 [Chen, M.; Zhuang, Q.] Purdue Univ, Dept Earth & Atmospher Sci, W Lafayette, IN 47907 USA. [Zhuang, Q.] Purdue Univ, Dept Agron, W Lafayette, IN 47907 USA. [Cook, D. R.; Coulter, R.] Argonne Natl Lab, Div Environm Sci, Climate Res Sect, Argonne, IL 60439 USA. [Pekour, M.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Scott, R. L.] ARS, SW Watershed Res Ctr, USDA, Tucson, AZ USA. [Munger, J. W.] Harvard Univ, Div Engn & Appl Sci, Cambridge, MA 02138 USA. [Munger, J. W.] Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA. [Bible, K.] Univ Washington, Wind River Canopy Crane Res Facil, Seattle, WA 98195 USA. RP Chen, M (reprint author), Purdue Univ, Dept Earth & Atmospher Sci, W Lafayette, IN 47907 USA. EM chenm@purdue.edu RI Zhuang, Qianlai/A-5670-2009; Munger, J/H-4502-2013 OI Munger, J/0000-0002-1042-8452 FU NSF [ARC-0554811, EAR-0630319]; Department of Energy; NASA; Rosen Center for Advanced Computing at Purdue University FX We acknowledge the AmeriFlux community to provide the eddy flux data and the MODIS research community to provide MODIS data on vegetation. This research is supported by NSF through projects of ARC-0554811 and EAR-0630319 and the Department of Energy. The study is also supported by NASA land-use and land-cover change program. Computing support is provided by the Rosen Center for Advanced Computing at Purdue University. NR 97 TC 15 Z9 15 U1 1 U2 27 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1726-4170 J9 BIOGEOSCIENCES JI Biogeosciences PY 2011 VL 8 IS 9 BP 2665 EP 2688 DI 10.5194/bg-8-2665-2011 PG 24 WC Ecology; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 826SU UT WOS:000295375700019 ER PT J AU Yang, X Post, WM AF Yang, X. Post, W. M. TI Phosphorus transformations as a function of pedogenesis: A synthesis of soil phosphorus data using Hedley fractionation method SO BIOGEOSCIENCES LA English DT Article ID N-P STOICHIOMETRY; TERRESTRIAL ECOSYSTEMS; TROPICAL FORESTS; BIOGEOCHEMICAL IMPLICATIONS; NUTRIENT LIMITATION; IRON REDUCTION; FRESH-WATER; RAIN; DYNAMICS; NITROGEN AB In spite of the importance of phosphorus (P) as a limiting nutrient in terrestrial ecosystems, our understanding of terrestrial P dynamics and our ability to model P cycling are hampered by the lack of consistent measurements of soil P. The Hedley fractionation method provides a comprehensive assessment of soil P and has been widely used in recent decades. Here we expand an earlier study that summarized Hedley P data from the literature to create a larger Hedley P database and further investigate the relationships between distributions of different forms of P and the stages of soil development. Our expanded Hedley P database generally supports what the Walker and Syers (1976) conceptual model predicts: the gradual decrease and eventual depletion of primary mineral P (mainly apatite P); the continual increase and eventual dominance of occluded P; and the overall decrease of total P during soil development. However the analysis disagrees with Walker and Syers (1976) in that we found labile inorganic P(Pi) and secondary mineral Pi (non-occluded P in Walker and Syers' model) to be a significant fraction of total P throughout all soil orders with different weathering stages. By analyzing the Hedley-labile P and vegetation P demand, we found that the amount of labile P is much greater than vegetation demand, even in highly weathered soils commonly considered P limited. We conclude that labile P measured by Hedley fractionation method should not be defined as plant available P since most of this labile P likely ends up as immobilized by microbes. Our analysis of the database also shows that carbon (C) and nitrogen (N) in soil organic matter are closely linked in all soil orders, but P is decoupled from C and N in highly weathered soils with larger variations of nitrogen: organic P (N:Po) ratio and higher mean values of N: Po ratio, compared to slightly and intermediately weathered soils. C1 [Yang, X.; Post, W. M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Yang, X (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM yangx2@ornl.gov RI Post, Wilfred/B-8959-2012; Yang, Xiaojuan/I-3643-2016 OI Yang, Xiaojuan/0000-0002-2686-745X FU U.S. Department of Energy, Office of Science, Biological and Environmental Research (BER); U.S. Department of Energy [DE-AC05-00OR22725] FX This research was sponsored by the U.S. Department of Energy, Office of Science, Biological and Environmental Research (BER) programs and performed at Oak Ridge National Laboratory (ORNL). ORNL is managed by UT-Battelle, LLC, for the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. NR 51 TC 58 Z9 59 U1 12 U2 100 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1726-4170 J9 BIOGEOSCIENCES JI Biogeosciences PY 2011 VL 8 IS 10 BP 2907 EP 2916 DI 10.5194/bg-8-2907-2011 PG 10 WC Ecology; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 844KV UT WOS:000296747000008 ER PT S AU White, AM Daly, DS Zangar, RC AF White, Amanda M. Daly, Don S. Zangar, Richard C. BE Wu, CH Chen, C TI Analysis of High-Throughput ELISA Microarray Data SO BIOINFORMATICS FOR COMPARATIVE PROTEOMICS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE ELISA; Microarray; Standard curve; Bioinformatics; Calibration; ProMAT; ELISA-BASE ID TOOL; PROMAT AB Our research group develops analytical methods and software for the high-throughput analysis of quantitative enzyme-linked immunosorbent assay (ELISA) microarrays. ELISA microarrays differ from DNA microarrays in several fundamental aspects and most algorithms for analysis of DNA microarray data are not applicable to ELISA microarrays. In this review, we provide an overview of the steps involved in ELISA microarray data analysis and how the statistically sound algorithms we have developed provide an integrated software suite to address the needs of each data-processing step. The algorithms discussed are available in a set of open-source software tools (http://www.pnl.gov/statistics/ProMAT). C1 [White, Amanda M.; Daly, Don S.; Zangar, Richard C.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP White, AM (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. FU NCI NIH HHS [U01 CA117378]; NIBIB NIH HHS [R01 EB006177] NR 8 TC 1 Z9 1 U1 0 U2 5 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-60761-976-5 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2011 VL 694 BP 191 EP 211 DI 10.1007/978-1-60761-977-2_13 D2 10.1007/978-1-60761-977-2 PG 21 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BSP85 UT WOS:000285329400013 PM 21082436 ER PT S AU Wu, S Tolic, N Tian, ZX Robinson, EW Pasa-Tolic, L AF Wu, Si Tolic, Nikola Tian, Zhixin Robinson, Errol W. Pasa-Tolic, Ljiljana BE Wu, CH Chen, C TI An Integrated Top-Down and Bottom-Up Strategy for Characterization of Protein Isoforms and Modifications SO BIOINFORMATICS FOR COMPARATIVE PROTEOMICS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Protein; Peptide; Proteomics; Mass spectrometry; LC-MS; Top-down; Bottom-up; FT-ICR MS; FTMS; Post-translational modification; PTM ID ELECTRON-CAPTURE DISSOCIATION; MASS-SPECTROMETRY; IDENTIFICATION; PROTEOMICS; MS AB Bottom-up and top-down strategies arc two commonly used methods for mass spectrometry (MS) based protein identification; each method has its own advantages and disadvantages. In this chapter, we describe an integrated top-down and bottom-up approach facilitated by concurrent liquid chromatography-mass spectrometry (LC-MS) analysis and fraction collection for comprehensive high-throughput intact protein profiling. The approach employs a high resolution reversed phase (RP) LC separation coupled with LC eluent fraction collection and concurrent on-line MS with a high field (12 T) Fourier-transform ion cyclotron resonance (FTICR) mass spectrometer. Protein elusion profiles and tentative modified protein identification are made using detected intact protein mass in conjunction with bottom-up protein identifications from the enzymatic digestion and analysis of corresponding LC fractions. Specific proteins of biological interest are incorporated into a target ion list for subsequent off-line gas-phase fragmentation that uses an aliquot of the original collected LC fraction, an aliquot of which was also used for bottom-up analysis. C1 [Wu, Si; Tolic, Nikola; Tian, Zhixin; Robinson, Errol W.; Pasa-Tolic, Ljiljana] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wu, S (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. RI Robinson, Errol/I-3148-2012 OI Robinson, Errol/0000-0003-0696-6239 FU NCRR NIH HHS [RR 018522]; NIAID NIH HHS [Y1-AI-4894-01]; NIGMS NIH HHS [R01 GM063883] NR 18 TC 8 Z9 8 U1 0 U2 11 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-60761-976-5 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2011 VL 694 BP 291 EP 304 DI 10.1007/978-1-60761-977-2_18 D2 10.1007/978-1-60761-977-2 PG 14 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BSP85 UT WOS:000285329400018 PM 21082441 ER PT S AU Chervitz, SA Deutsch, EW Field, D Parkinson, H Quackenbush, J Rocca-Serra, P Sansone, SA Stoeckert, CJ Taylor, CF Taylor, R Ball, CA AF Chervitz, Stephen A. Deutsch, Eric W. Field, Dawn Parkinson, Helen Quackenbush, John Rocca-Serra, Phillipe Sansone, Susanna-Assunta Stoeckert, Christian J., Jr. Taylor, Chris F. Taylor, Ronald Ball, Catherine A. BE Mayer, B TI Data Standards for Omics Data: The Basis of Data Sharing and Reuse SO BIOINFORMATICS FOR OMICS DATA: METHODS AND PROTOCOLS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Data sharing; Data exchange; Data standards; MGED; MIAME; Ontology; Data format; Microarray; Proteomics; Metabolomics ID STANFORD MICROARRAY DATABASE; GENE-EXPRESSION; FUNCTIONAL GENOMICS; MINIMUM INFORMATION; REPORTING STANDARDS; PLANT METABOLOMICS; MASS-SPECTROMETRY; SYSTEMS BIOLOGY; PUBLIC DATABASE; LIFE SCIENCES AB To facilitate sharing of lilies data, many groups of scientists have been working to establish the relevant data standards. The main components of data sharing standards arc experiment description standards, data exchange standards, terminology standards, and experiment execution standards. Here we provide a survey of existing and emerging standards that are intended to assist the tree and open exchange of large-format data. C1 [Chervitz, Stephen A.] Affymetrix Inc, Santa Clara, CA USA. [Ball, Catherine A.] Stanford Univ, Dept Genet, Sch Med, Stanford, CA 94305 USA. [Deutsch, Eric W.] Inst Syst Biol, Seattle, WA USA. [Field, Dawn] NERC Ctr Ecol & Hydrol, Oxford, England. [Parkinson, Helen; Rocca-Serra, Phillipe; Sansone, Susanna-Assunta; Taylor, Chris F.] EMBL EBI, Cambridge, England. [Quackenbush, John] Dana Farber Canc Inst, Dept Biostat, Boston, MA 02115 USA. [Stoeckert, Christian J., Jr.] Univ Penn, Sch Med, Dept Genet, Philadelphia, PA 19104 USA. [Stoeckert, Christian J., Jr.] Univ Penn, Sch Med, Ctr Bioinformat, Philadelphia, PA 19104 USA. [Taylor, Ronald] Pacific NW Natl Lab, Computat Biol & Bioinformat Grp, Richland, WA 99352 USA. RP Chervitz, SA (reprint author), Affymetrix Inc, Santa Clara, CA USA. OI Taylor, Christopher/0000-0002-9666-798X; Parkinson, Helen/0000-0003-3035-4195; Sansone, Susanna-Assunta/0000-0001-5306-5690; Taylor, Ronald/0000-0001-9777-9767 FU Biotechnology and Biological Sciences Research Council [BB/E025080/1, BB/I000771/1]; NLM NIH HHS [R01 LM008795] NR 74 TC 16 Z9 16 U1 0 U2 6 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-61779-026-3 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2011 VL 719 BP 31 EP 69 DI 10.1007/978-1-61779-027-0_2 D2 10.1007/978-1-61779-027-0 PG 39 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Mathematical & Computational Biology GA BUD45 UT WOS:000288923900002 PM 21370078 ER PT S AU Li, H AF Li, Hua BE Zhang, S TI Thermal Sprayed Bioceramic Coatings: Nanostructured Hydroxyapatite (HA) and HA-Based Composites SO BIOLOGICAL AND BIOMEDICAL COATINGS HANDBOOK: PROCESSING AND CHARACTERIZATION SE Advances in Materials Science and Engineering-Boca Raton LA English DT Article; Book Chapter ID CALCIUM-PHOSPHATE COATINGS; INTERFACIAL FRACTURE-TOUGHNESS; PARTIALLY-STABILIZED ZIRCONIA; ABRASIVE WEAR-RESISTANCE; SIMULATED BODY-FLUID; X-RAY-DIFFRACTION; FUEL HVOF SPRAY; IN-VITRO; TITANIUM IMPLANTS; REINFORCED HYDROXYAPATITE C1 [Li, Hua] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Li, H (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. NR 233 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA SN 2334-3656 BN 978-1-4398-4998-9; 978-1-4398-4995-8 J9 ADV MAT SCI ENG PY 2011 BP 137 EP 201 PG 65 WC Engineering, Biomedical; Materials Science, Biomaterials; Materials Science, Coatings & Films SC Engineering; Materials Science GA BD8ON UT WOS:000364179000006 ER PT S AU Achler, T Bettencourt, LMA AF Achler, Tsvi Bettencourt, Luis M. A. BE Samsonovich, AV Johannsdottir, KR TI Evaluating the Contribution of Top-Down Feedback and Post-Learning Reconstruction SO BIOLOGICALLY INSPIRED COGNITIVE ARCHITECTURES 2011 SE Frontiers in Artificial Intelligence and Applications LA English DT Proceedings Paper CT 2nd Annual Meeting of the Biologically-Inspired-Cognitive-Architectures-Society (BICA) CY NOV 04-06, 2011 CL Arlington, VA SP Biologically Inspired Cognit Architectures Soc DE Top-Down Feedback; Generative Models; Regulatory Feedback ID ATTENTION AB Deep generative models and their associated top-down architecture are gaining popularity in neuroscience and computer vision. In this paper we link our previous work with regulatory feedback networks to generative models. We show that generative model's and regulatory feedback model's equations can share the same fixed points. Thus, phenomena observed using regulatory feedback can also apply to generative models. This suggests that generative models can also be developed to identify mixtures of patterns, address problems associated with binding, and display the ability to estimate numerosity. C1 [Achler, Tsvi; Bettencourt, Luis M. A.] Los Alamos Natl Lab, Synthet Visual Cognit Grp, Los Alamos, NM 87545 USA. RP Achler, T (reprint author), Los Alamos Natl Lab, Synthet Visual Cognit Grp, Los Alamos, NM 87545 USA. NR 25 TC 0 Z9 0 U1 0 U2 0 PU IOS PRESS PI AMSTERDAM PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS SN 0922-6389 BN 978-1-60750-959-2; 978-1-60750-958-5 J9 FRONT ARTIF INTEL AP PY 2011 VL 233 BP 9 EP 15 PG 7 WC Computer Science, Artificial Intelligence; Mathematical & Computational Biology SC Computer Science; Mathematical & Computational Biology GA BC0DP UT WOS:000348931200002 ER PT S AU Karnowski, TP Arel, I Young, S AF Karnowski, Thomas P. Arel, Itamar Young, Steven BE Samsonovich, AV Johannsdottir, KR TI Modeling Temporal Dynamics with Function Approximation in Deep Spatio-Temporal Inference Network SO BIOLOGICALLY INSPIRED COGNITIVE ARCHITECTURES 2011 SE Frontiers in Artificial Intelligence and Applications LA English DT Proceedings Paper CT 2nd Annual Meeting of the Biologically-Inspired-Cognitive-Architectures-Society (BICA) CY NOV 04-06, 2011 CL Arlington, VA SP Biologically Inspired Cognit Architectures Soc DE feature extraction; unsupervised learning; cortical ID VISUAL-CORTEX AB Biologically inspired deep machine learning is an emerging framework for dealing with complex high-dimensional data. An unsupervised feature extraction deep learning architecture called Deep Spatio-Temporal Inference Network (DeSTIN) utilizes a hierarchy of computational nodes, where each node features a common algorithm for inference of temporal patterns. The nodes all are geared to online learning and offer a generalization component which uses clustering and mixture models, as well as a temporal dynamics module. The latter is designed for tabular representation but such techniques are notoriously ill-suited for scaling as they impose an O(N-3) memory complexity. Instead, function approximation methods such as neural networks can serve as a more concise representation. In this work we present the results of DeSTIN on a popular problem, the MNIST data set of handwritten digits, using mixture models and function approximation to create a temporally evolving feature representation. We compare the results of the extracted features from DeSTIN under the tabular method and the function approximation method and contrast these results with our past work in this area. C1 [Karnowski, Thomas P.] Oak Ridge Natl Lab, ISML Grp, Oak Ridge, TN USA. [Arel, Itamar; Young, Steven] Univ Tennessee, Knoxville, TN USA. RP Karnowski, TP (reprint author), ORNL, Knoxville, TN 37919 USA. EM tkarnows@utk.edu NR 15 TC 1 Z9 1 U1 0 U2 1 PU IOS PRESS PI AMSTERDAM PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS SN 0922-6389 BN 978-1-60750-959-2; 978-1-60750-958-5 J9 FRONT ARTIF INTEL AP PY 2011 VL 233 BP 174 EP + DI 10.3233/978-1-60750-959-2-174 PG 2 WC Computer Science, Artificial Intelligence; Mathematical & Computational Biology SC Computer Science; Mathematical & Computational Biology GA BC0DP UT WOS:000348931200029 ER PT S AU Rohrer, B AF Rohrer, Brandon BE Samsonovich, AV Johannsdottir, KR TI Biologically inspired feature creation for multi-sensory perception SO BIOLOGICALLY INSPIRED COGNITIVE ARCHITECTURES 2011 SE Frontiers in Artificial Intelligence and Applications LA English DT Proceedings Paper CT 2nd Annual Meeting of the Biologically-Inspired-Cognitive-Architectures-Society (BICA) CY NOV 04-06, 2011 CL Arlington, VA SP Biologically Inspired Cognit Architectures Soc DE feature creation; unsupervised learning; perception; abstraction; vision processing; sensor fusion ID CORTEX AB Automatic feature creation is a powerful tool for identifying and reaching goals in the natural world. This paper describes in detail a biologically-inspired method of feature creation that can be applied to sensory information of any modality. The algorithm is incremental and on-line; it enforces sparseness in the features it creates; and it can form features from other features, making a hierarchical feature set. Here it demonstrates the creation of both visual and auditory features. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Rohrer, B (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rohrer@sandia.gov NR 18 TC 0 Z9 0 U1 0 U2 0 PU IOS PRESS PI AMSTERDAM PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS SN 0922-6389 BN 978-1-60750-959-2; 978-1-60750-958-5 J9 FRONT ARTIF INTEL AP PY 2011 VL 233 BP 305 EP 313 DI 10.3233/978-1-60750-959-2-305 PG 9 WC Computer Science, Artificial Intelligence; Mathematical & Computational Biology SC Computer Science; Mathematical & Computational Biology GA BC0DP UT WOS:000348931200054 ER PT S AU Rothganger, F Warrender, C Speed, A Rohrer, B Bier, A Trumbo, D AF Rothganger, Fredrick Warrender, Christina Speed, Ann Rohrer, Brandon Bier, Asmeret Trumbo, Derek BE Samsonovich, AV Johannsdottir, KR TI Connecting Cognitive and Neural Models SO BIOLOGICALLY INSPIRED COGNITIVE ARCHITECTURES 2011 SE Frontiers in Artificial Intelligence and Applications LA English DT Proceedings Paper CT 2nd Annual Meeting of the Biologically-Inspired-Cognitive-Architectures-Society (BICA) CY NOV 04-06, 2011 CL Arlington, VA SP Biologically Inspired Cognit Architectures Soc DE Human-level AI; cognitive architectures; neural networks ID CIRCUITS AB A key challenge in developing complete human equivalence is how to ground a synoptic theory of cognition in neural reality. Both cognitive architectures and neural models provide insight into how biological brains work, but from opposite directions. Here the authors report on initial work aimed at interpreting connectomic data in terms of algorithms. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. C1 [Rothganger, Fredrick; Warrender, Christina; Speed, Ann; Rohrer, Brandon; Bier, Asmeret; Trumbo, Derek] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Rothganger, F (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 4 TC 0 Z9 0 U1 0 U2 1 PU IOS PRESS PI AMSTERDAM PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS SN 0922-6389 BN 978-1-60750-959-2; 978-1-60750-958-5 J9 FRONT ARTIF INTEL AP PY 2011 VL 233 BP 329 EP 330 DI 10.3233/978-1-60750-959-2-329 PG 2 WC Computer Science, Artificial Intelligence; Mathematical & Computational Biology SC Computer Science; Mathematical & Computational Biology GA BC0DP UT WOS:000348931200057 ER PT S AU Stracuzzi, D AF Stracuzzi, David BE Samsonovich, AV Johannsdottir, KR TI A Plausible Logic Inference Engine SO BIOLOGICALLY INSPIRED COGNITIVE ARCHITECTURES 2011 SE Frontiers in Artificial Intelligence and Applications LA English DT Proceedings Paper CT 2nd Annual Meeting of the Biologically-Inspired-Cognitive-Architectures-Society (BICA) CY NOV 04-06, 2011 CL Arlington, VA SP Biologically Inspired Cognit Architectures Soc DE Reasoning; inference; logic; uncertainty; knowledge representation; heuristc; psychologically plausible AB Inference methods play a critical role in cognitive architectures. They support high-level cognitive capabilities such as decision-making, problem-solving, and learning by transforming low-level observations of the environment into high-level, actionable knowledge. However, most modern infernece methods rely on a combination of extensive knowledge engineering, vast databases, and domain constraints to succeed. This work makes an initial effort at combining results from artificial intelligence and psychology into a more pragmatic and scalable computational reasoning system. Our approach uses a combination of first-order logic and plausibility-based uncertainty consistent with methods first described by Polya [3]. Importantly, concerns with optimality and provability are dropped in favor of guidance heuristics derived from the psychological literature. In particular, these heuristics implement cognitive biases such as primacy/recency [1], confirmation [2], and coherence [4]. The talk illustrates core ideas with examples and discusses the advantages of the approach with respect to cognitive systems. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Stracuzzi, D (reprint author), Sandia Natl Labs, POB 5800,MS1188, Albuquerque, NM 87185 USA. EM david.stracuzzi@gmail.com NR 4 TC 0 Z9 0 U1 0 U2 0 PU IOS PRESS PI AMSTERDAM PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS SN 0922-6389 BN 978-1-60750-959-2; 978-1-60750-958-5 J9 FRONT ARTIF INTEL AP PY 2011 VL 233 BP 364 EP 364 PG 1 WC Computer Science, Artificial Intelligence; Mathematical & Computational Biology SC Computer Science; Mathematical & Computational Biology GA BC0DP UT WOS:000348931200065 ER PT S AU Vineyard, CM Verzi, SJ Bernard, ML Caudell, TP AF Vineyard, Craig M. Verzi, Stephen J. Bernard, Michael L. Caudell, Thomas P. BE Samsonovich, AV Johannsdottir, KR TI A Multimodal Hypertensor Architecture for Association Formation SO BIOLOGICALLY INSPIRED COGNITIVE ARCHITECTURES 2011 SE Frontiers in Artificial Intelligence and Applications LA English DT Proceedings Paper CT 2nd Annual Meeting of the Biologically-Inspired-Cognitive-Architectures-Society (BICA) CY NOV 04-06, 2011 CL Arlington, VA SP Biologically Inspired Cognit Architectures Soc DE Artificial neural network; hippocampus; computational model ID CORTICES; MONKEY; MEMORY AB Several fields of study have developed sophisticated techniques to process signals of varying types. For example, pattern recognition techniques may seek to convert an audio waveform to a text transcription or to process an image and classify the represented object. However, much of this research focuses upon a single signal type. While such an approach has many useful applications, there are many domains which receive an influx of differing signal types. The brain receives a variety of sensory input signals and although each input stream does receive its share of individual processing, additional insight also comes from the converged processing of all input modalities. Such an occurrence takes place within the medial temporal lobe (MTL) and hippocampus. Consequently, we have designed a neural network architecture inspired by hippocampus connectivity and functionality which associates multimodal inputs. C1 [Vineyard, Craig M.; Verzi, Stephen J.; Bernard, Michael L.] Sandia Natl Labs, Livermore, CA 94550 USA. [Vineyard, Craig M.; Caudell, Thomas P.] Univ New Mexico, Elect & Computer Engn Dept, Albuquerque, NM 87131 USA. RP Vineyard, CM (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM cmviney@sandia.gov FU LDRD from Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This research was possible in part by LDRD program support from Sandia National Laboratories. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 8 TC 0 Z9 0 U1 0 U2 0 PU IOS PRESS PI AMSTERDAM PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS SN 0922-6389 BN 978-1-60750-959-2; 978-1-60750-958-5 J9 FRONT ARTIF INTEL AP PY 2011 VL 233 BP 419 EP + DI 10.3233/978-1-60750-959-2-419 PG 2 WC Computer Science, Artificial Intelligence; Mathematical & Computational Biology SC Computer Science; Mathematical & Computational Biology GA BC0DP UT WOS:000348931200075 ER PT J AU Garten, CT Wullschleger, SD Classen, AT AF Garten, C. T., Jr. Wullschleger, S. D. Classen, A. T. TI Review and model-based analysis of factors influencing soil carbon sequestration under hybrid poplar SO BIOMASS & BIOENERGY LA English DT Review DE Bioenergy crops; Short-rotation woody crops; Tree plantations; Hybrid poplar; Soil carbon sequestration ID SHORT-ROTATION COPPICE; NITROGEN-FERTILIZATION GRADIENT; CENTRAL UNITED-STATES; FINE-ROOT DYNAMICS; POPULUS-DELTOIDES; LOBLOLLY-PINE; BIOMASS PRODUCTION; GLOBAL PATTERNS; SOUTH-CAROLINA; WOODY CROPS AB The potential for soil carbon (C) sequestration under short-rotation woody crops, like hybrid poplar (Populus spp.), is a significant uncertainty in our understanding of how managed tree plantations might be used to partially offset increasing atmospheric CO(2) concentrations. Through development of a multi-compartment model, we reviewed information from studies on hybrid poplar and analyzed the potential impact of changes in plant traits and nitrogen (N) fertilization on soil C storage. For a hypothetical setting in the southeastern U.S.A., and starting from soils that are relatively depleted in organic matter (2.5 kg C m(-2)), the model predicted an increase in mineral soil C stocks (1.7 kg C m(-2)) over four 7-year rotations of hybrid poplar. However, at the end of the fourth rotation, both cumulative soil C gains and annual rates of soil C accrual (23-93 g C m(-2) yr(-1)) varied widely depending on fertilization rate, biomass yield, and rates of dead root decomposition (three factors that were examined in a factorial model-based experiment). Our analysis indicated that processes linked to genetically modifiable poplar traits (aboveground biomass production, belowground C allocation, root decomposition) are potential controls on soil C sequestration. Key measures of model performance were sensitive to how aboveground biomass production responded to N fertilization. Site specific properties that were independent of plant traits were also important to predicted soil C accumulation and point to possible genotype x site interactions that may explain contradictory data from both empirical and theoretical studies of C sequestration under hybrid poplar plantations. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Garten, C. T., Jr.; Wullschleger, S. D.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Classen, A. T.] Univ Tennessee, Dept Ecol & Evolutionary Biol, Knoxville, TN 37996 USA. RP Garten, CT (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008,Mail Stop 6036, Oak Ridge, TN 37831 USA. EM gartenctjr@ornl.gov RI Classen, Aimee/C-4035-2008; Wullschleger, Stan/B-8297-2012 OI Classen, Aimee/0000-0002-6741-3470; Wullschleger, Stan/0000-0002-9869-0446 FU U.S. Department of Energy's Office of Science, Biological and Environmental Research [DE-AC05-00OR22725]; Oak Ridge National Laboratory (ORNL); U.S. Government [DE-AC05-00OR22725] FX Research was sponsored by the U.S. Department of Energy's Office of Science, Biological and Environmental Research funding to the Consortium for Research on Enhancing Carbon Sequestration in Terrestrial Ecosystems (CSiTE) under contract DE-AC05-00OR22725 with Oak Ridge National Laboratory (ORNL), managed by UT-Battelle, LLC. We thank Paul J. Hanson (ORNL) for helpful review and discussion of the model and a draft manuscript.; The submitted manuscript has been authored by a contractor of the U.S. Government under contract DE-AC05-00OR22725. Accordingly, the U.S. Government retains a nonexclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for U.S. Government purposes. NR 56 TC 16 Z9 16 U1 4 U2 41 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0961-9534 J9 BIOMASS BIOENERG JI Biomass Bioenerg. PD JAN PY 2011 VL 35 IS 1 BP 214 EP 226 DI 10.1016/j.biombioe.2010.08.013 PG 13 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 715SC UT WOS:000286905300024 ER PT J AU Campanella, OH Sumali, H Mert, B Patel, B AF Campanella, Osvaldo H. Sumali, Hartono Mert, Behic Patel, Bhavesh BE Pignatello, R TI The Use of Vibration Principles to Characterize the Mechanical Properties of Biomaterials SO BIOMATERIALS - PHYSICS AND CHEMISTRY LA English DT Article; Book Chapter ID MAGNESS-TAYLOR; INTACT FRUITS; FIRMNESS; BEHAVIOR; FREQUENCY; APPLES; COMPRESSION; IMPEDANCE; LIQUIDS; FOODS C1 [Campanella, Osvaldo H.; Patel, Bhavesh] Purdue Univ, Agr & Biol Engn Dept, W Lafayette, IN 47907 USA. [Campanella, Osvaldo H.; Patel, Bhavesh] Purdue Univ, Whistler Ctr Carbohydrate Res, W Lafayette, IN 47907 USA. [Sumali, Hartono] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Mert, Behic] Middle East Tech Univ, Dept Food Engn, Ankara, Turkey. RP Campanella, OH (reprint author), Purdue Univ, Agr & Biol Engn Dept, W Lafayette, IN 47907 USA. NR 32 TC 0 Z9 0 U1 0 U2 0 PU INTECH EUROPE PI RIJEKA PA JANEZA TRDINE9, RIJEKA, 51000, CROATIA BN 978-953-307-418-4 PY 2011 BP 299 EP 328 D2 10.5772/914 PG 30 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA BG1KR UT WOS:000386856300016 ER PT J AU Novosad, V Rozhkova, EA AF Novosad, Valentyn Rozhkova, Elena A. BE Laskovski, AN TI Ferromagnets-Based Multifunctional Nanoplatform for Targeted Cancer Therapy SO BIOMEDICAL ENGINEERING, TRENDS IN MATERIALS SCIENCE LA English DT Article; Book Chapter ID MAGNETIC NANOPARTICLES; ANTIFERROMAGNETIC NANOPARTICLES; BIOMEDICAL APPLICATIONS; CELL-MEMBRANE; SINGLE-DOMAIN; LIVING CELLS; CALCIUM; APOPTOSIS; RECEPTOR; SPIN C1 [Novosad, Valentyn] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Rozhkova, Elena A.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Novosad, V (reprint author), Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RI Novosad, Valentyn/C-2018-2014; Novosad, V /J-4843-2015 NR 44 TC 0 Z9 0 U1 0 U2 3 PU INTECH EUROPE PI RIJEKA PA JANEZA TRDINE9, RIJEKA, 51000, CROATIA BN 978-953-307-513-6 PY 2011 BP 425 EP 444 D2 10.5772/992 PG 20 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA BE3PG UT WOS:000371133400019 ER PT S AU Hurst, SJ AF Hurst, Sarah J. BE Hurst, SJ TI Biomedical Nanotechnology SO BIOMEDICAL NANOETECHNOLOGY: METHODS AND PROTOCOLS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Nanoparticles; Nanodevices; Biomedical nanotechnology; Biodetection; Nanotherapeutics; Implant materials ID MODIFIED GOLD NANOPARTICLES; SHAPE-CONTROLLED SYNTHESIS; CANCER-THERAPY; INORGANIC NANOPARTICLES; SYNTHETIC METHODS; CARBON NANOTUBES; SILVER NANODISKS; QUANTUM DOTS; NANOCRYSTALS; DNA AB This chapter summarizes the roles of nanomaterials in biomedical applications, focusing on those highlighted in this volume. A brief history of nanoscience and technology and a general introduction to the field are presented. Then, the chemical and physical properties of nanostructures that make them ideal for use in biomedical applications are highlighted. Examples of common applications, including sensing, imaging, and therapeutics, are given. Finally, the challenges associated with translating this field from the research laboratory to the clinic setting, in terms of the larger societal implications, are discussed. C1 Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Hurst, SJ (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Petrosko, Sarah/A-3606-2013 NR 94 TC 3 Z9 3 U1 2 U2 3 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-61779-051-5 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2011 VL 726 BP 1 EP 13 DI 10.1007/978-1-61779-052-2_1 D2 10.1007/978-1-61779-052-2 PG 13 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Engineering, Biomedical; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Engineering; Science & Technology - Other Topics GA BUL40 UT WOS:000289741000001 PM 21424439 ER PT S AU Rajh, T Dimitrijevic, NM Rozhkova, EA AF Rajh, Tijana Dimitrijevic, Nada M. Rozhkova, Elena A. BE Hurst, SJ TI Titanium Dioxide Nanoparticles in Advanced Imaging and Nanotherapeutics SO BIOMEDICAL NANOETECHNOLOGY: METHODS AND PROTOCOLS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE TiO2; Nanoparticles; Surface reconstruction; Photocatalysis; Charge transfer complex; Hybrid composites; DNA; Antibody; Targeted cancer therapy; Synchrotron X-ray fluorescence ID CHARGE-TRANSFER; TIO2 AB Semiconductor photocatalysis using nanoparticulate TiO2 has proven to be a promising technology for use in catalytic reactions, in the cleanup of water contaminated with hazardous industrial by-products, and in nanocrystalline solar cells as a photoactive material. Metal oxide semiconductor colloids are of considerable interest because of their photocatalytic properties. The coordination sphere of the surface metal atoms is incomplete and thus traps light-induced charges, but also exhibits high affinity for oxygen-containing ligands and gives the opportunity for chemical modification. We use enediol linkers, such as dopamine and its analogs, to bridge the semiconductors to biomolecules such as DNA or proteins. Nanobio hybrids that combine the physical robustness and chemical reactivity of nanoscale metal oxides with the molecular recognition and selectivity of biomolecules were developed. Control of chemical processes within living cells was achieved using TiO2 nanocomposites in order to develop new tools for advanced nanotherapeutics. Here, we describe general experimental approaches for synthesis and characterization of high crystallinity, water soluble 5 nm TiO2 particles and their nanobio composites, methods of cellular sample preparation for advanced Synchrotron-based imaging of nanoparticles in single cell X-ray fluorescence, and a detailed experimental setup for application of the high-performance TiO2-based nanobio photocatalyst for targeted lysis of cancerous or other disordered cells. C1 [Rajh, Tijana; Dimitrijevic, Nada M.; Rozhkova, Elena A.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Rajh, T (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Petrosko, Sarah/A-3606-2013 NR 17 TC 7 Z9 7 U1 3 U2 10 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-61779-051-5 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2011 VL 726 BP 63 EP 75 DI 10.1007/978-1-61779-052-2_5 D2 10.1007/978-1-61779-052-2 PG 13 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Engineering, Biomedical; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Engineering; Science & Technology - Other Topics GA BUL40 UT WOS:000289741000005 PM 21424443 ER PT B AU White, JC Newman, LA AF White, Jason C. Newman, Lee A. BE Xing, B Senesi, N Huang, PM TI PHYTOREMEDIATION OF SOILS CONTAMINATED WITH ORGANIC POLLUTANTS SO BIOPHYSICO-CHEMICAL PROCESSES OF ANTHROPOGENIC ORGANIC COMPOUNDS IN ENVIRONMENTAL SYSTEMS SE Wiley-IUPAC Series in Biophysico-Chemical Processes in Environmental Systems LA English DT Article; Book Chapter ID HYBRID POPLAR TREES; X NIGRA DN34; POLYCYCLIC AROMATIC-HYDROCARBONS; MAMMALIAN CYTOCHROME-P450 2E1; CUCURBITA-PEPO; POLYCHLORINATED-BIPHENYLS; TRICHLOROETHYLENE UPTAKE; ENDOPHYTIC BACTERIA; WEATHERED P,P'-DDE; TRANSGENIC PLANTS C1 [White, Jason C.] Connecticut Agr Expt Stn, Dept Analyt Chem, New Haven, CT 06504 USA. [Newman, Lee A.] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP White, JC (reprint author), Connecticut Agr Expt Stn, Dept Analyt Chem, New Haven, CT 06504 USA. NR 110 TC 1 Z9 1 U1 1 U2 7 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA BN 978-0-470-94446-2; 978-0-470-53963-7 J9 WILEY-IUPAC SER BIOP PY 2011 BP 503 EP 516 PG 14 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA BB1YB UT WOS:000341455500022 ER PT J AU Francis, MB AF Francis, Matthew B. TI Synthetically Modified Viral Capsids as Targeted Delivery Vehicles for Therapeutic Cargo SO BIOPOLYMERS LA English DT Meeting Abstract CT 22nd American Peptide Symposium CY JUN 25-30, 2011 CL San Diego, CA SP Amer Peptide Soc C1 [Francis, Matthew B.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Francis, Matthew B.] Lawrence Berkeley Natl Labs, Div Mat Sci, Berkeley, CA USA. NR 0 TC 1 Z9 1 U1 4 U2 7 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0006-3525 J9 BIOPOLYMERS JI Biopolymers PY 2011 VL 96 IS 4 BP 417 EP 417 PG 1 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 779FL UT WOS:000291763400034 ER PT J AU Zuckermann, RN AF Zuckermann, Ronald N. TI Atomically-defined peptoid nanostructures SO BIOPOLYMERS LA English DT Meeting Abstract CT 22nd American Peptide Symposium CY JUN 25-30, 2011 CL San Diego, CA SP Amer Peptide Soc C1 [Zuckermann, Ronald N.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM rnzuckermann@lbl.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0006-3525 J9 BIOPOLYMERS JI Biopolymers PY 2011 VL 96 IS 4 BP 418 EP 419 PG 2 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 779FL UT WOS:000291763400038 ER PT J AU Zuckermann, RN AF Zuckermann, Ronald N. TI Atomically-defined peptoid nanostructures SO BIOPOLYMERS LA English DT Meeting Abstract CT 22nd American Peptide Symposium CY JUN 25-30, 2011 CL San Diego, CA SP Amer Peptide Soc C1 [Zuckermann, Ronald N.] Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. EM rnzuckermann@lbl.gov NR 0 TC 0 Z9 0 U1 0 U2 2 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0006-3525 J9 BIOPOLYMERS JI Biopolymers PY 2011 VL 96 IS 4 BP 456 EP 456 PG 1 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 779FL UT WOS:000291763400192 ER PT J AU Basava, C Czerwinski, A Dauter, Z AF Basava, C. Czerwinski, A. Dauter, Z. TI Crystal structure of a tripeptide aldehyde proteasome inhibitor, Ac-Leu-Leu-Norleucinal SO BIOPOLYMERS LA English DT Meeting Abstract CT 22nd American Peptide Symposium CY JUN 25-30, 2011 CL San Diego, CA SP Amer Peptide Soc C1 [Basava, C.; Czerwinski, A.] Peptides Int Inc, Louisville, KY 40299 USA. [Dauter, Z.] Argonne Natl Lab, Natl Canc Inst, Macromol Crystallog Lab, Argonne, IL 60439 USA. NR 2 TC 0 Z9 0 U1 0 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0006-3525 J9 BIOPOLYMERS JI Biopolymers PY 2011 VL 96 IS 4 BP 502 EP 502 PG 1 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 779FL UT WOS:000291763400373 ER PT J AU Okamoto, R Mandal, K Sawaya, M Kajihara, Y Yeates, TO Kent, SBH AF Okamoto, Ryo Mandal, Kalyaneswar Sawaya, Michael Kajihara, Yasuhiro Yeates, Todd O. Kent, Stephen B. H. TI Total Chemical Synthesis of a Glycosyl Chemokine: Ser-CCL1 and Structural Analysis by Quasi-Racemate X-ray Crystallography SO BIOPOLYMERS LA English DT Meeting Abstract CT 22nd American Peptide Symposium CY JUN 25-30, 2011 CL San Diego, CA SP Amer Peptide Soc C1 [Okamoto, Ryo; Mandal, Kalyaneswar; Kent, Stephen B. H.] Univ Chicago, Dept Biochem & Mol Biol, Chicago, IL 60637 USA. [Okamoto, Ryo; Mandal, Kalyaneswar; Kent, Stephen B. H.] Univ Chicago, Dept Chem, Chicago, IL 60637 USA. [Okamoto, Ryo; Mandal, Kalyaneswar; Kent, Stephen B. H.] Univ Chicago, Inst Biophys Dynam, Chicago, IL 60637 USA. [Sawaya, Michael; Yeates, Todd O.] Univ Calif Los Angeles, Inst Mol Biol, Los Angeles, CA 90095 USA. [Sawaya, Michael; Yeates, Todd O.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. [Sawaya, Michael; Yeates, Todd O.] Univ Calif Los Angeles, US DOE, Inst Genom & Prote, Los Angeles, CA 90095 USA. [Kajihara, Yasuhiro] Osaka Univ, Grad Sch Sci, Dept Chem, Osaka 5600043, Japan. NR 0 TC 0 Z9 0 U1 0 U2 1 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0006-3525 J9 BIOPOLYMERS JI Biopolymers PY 2011 VL 96 IS 4 BP 505 EP 506 PG 2 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 779FL UT WOS:000291763400387 ER PT J AU Kameda, R Anderson, CW Sakaguchi, K AF Kameda, Rui Anderson, Carl W. Sakaguchi, Kazuyasu TI Methylation of p53 Tetramerization Domain Arginines Residues Destabilize the Tetrameric Structure SO BIOPOLYMERS LA English DT Meeting Abstract CT 22nd American Peptide Symposium CY JUN 25-30, 2011 CL San Diego, CA SP Amer Peptide Soc C1 [Kameda, Rui; Sakaguchi, Kazuyasu] Hokkaido Univ, Fac Sci, Dept Chem, Biol Chem Lab, Sapporo, Hokkaido 0600810, Japan. [Anderson, Carl W.] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. NR 1 TC 0 Z9 0 U1 0 U2 4 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0006-3525 J9 BIOPOLYMERS JI Biopolymers PY 2011 VL 96 IS 4 BP 524 EP 524 PG 1 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 779FL UT WOS:000291763400464 ER PT J AU Zuckermann, RN AF Zuckermann, Ronald N. TI Peptoid Origins SO BIOPOLYMERS LA English DT Editorial Material DE peptoids; peptidomimetics; bioinspired polymers; combinatorial chemistry; automated synthesis ID N-SUBSTITUTED GLYCINES; SOLID-PHASE SYNTHESIS; SEQUENCE-SPECIFIC POLYPEPTOIDS; AROMATIC SIDE-CHAINS; DRUG DISCOVERY; COMBINATORIAL LIBRARIES; NONBIOLOGICAL POLYMER; SUBMONOMER SYNTHESIS; SECONDARY STRUCTURE; AFFINITY SELECTION AB Peptoid oligomers were initially developed as part of a larger basic research effort to accelerate the drug-discovery process in the biotech/biopharma industry. Their ease of synthesis, stability, and structural similarity to polypeptides made them ideal candidates for the combinatorial discovery of novel peptidomimetic drug candidates. Diverse libraries of short peptoid oligomers provided one of the first demonstrations in the mid-1990s that high-affinity ligands to pharmaceutically relevant receptors could be discovered from combinatorial libraries of synthetic compounds. The solid-phase submonomer method of peptoid synthesis was so efficient and general that it soon became possible to explore the properties of longer polypeptoid chains in a variety of areas beyond drug discovery (e.g., diagnostics, drug delivery, and materials science). Exploration into protein-mimetic materials soon followed, with the fundamental goal of folding a non-natural sequence-specific heteropolymer into defined secondary or tertiary structures. This effort first yielded the peptoid helix and much later the peptoid sheet, both of which are secondary-structure mimetics that are close relatives to their natural counterparts. These crucial discoveries have brought us closer to building proteinlike structure and function from a non-natural polymer and have provided great insight into the rules governing polymer and protein folding. The accessibility of peptoid synthesis to chemists and nonchemists alike, along with a lack of information-rich non-natural polymers available to study, has led to a rapid growth in the field of peptoid science by many new investigators. This work provides an overview of the initial discovery and early developments in the peptoid field. (C) 2010 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 96: 545-555, 2011. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Zuckermann, RN (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM rnzuckermann@lbl.gov RI Zuckermann, Ronald/A-7606-2014 OI Zuckermann, Ronald/0000-0002-3055-8860 NR 79 TC 48 Z9 48 U1 5 U2 76 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0006-3525 J9 BIOPOLYMERS JI Biopolymers PY 2011 VL 96 IS 5 SI SI BP 545 EP 555 DI 10.1002/bip.21573 PG 11 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 826WD UT WOS:000295385400002 PM 21184486 ER PT J AU Kudirka, R Tran, H Sanii, B Nam, KT Choi, PH Venkateswaran, N Chen, R Whitelam, S Zuckermann, RN AF Kudirka, Romas Tran, Helen Sanii, Babak Ki Tae Nam Choi, Philip H. Venkateswaran, Neeraja Chen, Ritchie Whitelam, Stephen Zuckermann, Ronald N. TI Folding of a Single-Chain, Information-Rich Polypeptoid Sequence into a Highly Ordered Nanosheet SO BIOPOLYMERS LA English DT Article DE peptoids; nanosheet; electrostatic; self-assembly; biomimetic polymer ID PROTEIN-STRUCTURE PREDICTION; N-SUBSTITUTED GLYCINES; AROMATIC SIDE-CHAINS; AMINO ACID PROTEINS; SECONDARY STRUCTURE; NONBIOLOGICAL POLYMER; PEPTOID OLIGOMERS; BETA-PEPTIDES; HELICES; PROGRESS AB The design and synthesis of protein-like polymers is a fundamental challenge in materials science. A means to achieve this goal is to create synthetic polymers of defined sequence where all relevant folding information is incorporated into a single polymer strand. We present here the aqueous self-assembly of peptoid polymers (N-substituted glycines) into ultra thin, two-dimensional highly ordered nanosheets, where all folding information is encoded into a single chain. The sequence designs enforce a two-fold amphiphilic periodicity. Two sequences were considered: one with charged residues alternately positive and negative (alternating patterning), and one with charges segregated in positive and negative halves of the molecule (block patterning). Sheets form between pH 5 and 10 with the optimal conditions being pH 6 for the alternating sequence and pH 8 for the block sequence. Once assembled, the nanosheets remain stable between pH 6 and 10 with observed degradation beginning to occur below pH 6. The alternating charge nanosheets remain stable up to concentrations of 20% acetonitrile, whereas the block pattern displayed greater robustness remaining stable up to 30% acetonitrile. These observations are consistent with expectations based on considerations of the molecules' electrostatic interactions. This study represents an important step in the construction of abiotic materials founded on biological informatic and folding principles. (C) 2011 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 96: 586-595, 2011. C1 [Kudirka, Romas; Tran, Helen; Sanii, Babak; Ki Tae Nam; Choi, Philip H.; Venkateswaran, Neeraja; Chen, Ritchie; Whitelam, Stephen; Zuckermann, Ronald N.] Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Zuckermann, RN (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM rnzuckermann@lbl.gov RI Zuckermann, Ronald/A-7606-2014 OI Zuckermann, Ronald/0000-0002-3055-8860 FU Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231]; Defense Threat Reduction Agency [IACRO B1144571] FX Contract grant sponsor: Office of Science, Office of Basic Energy Sciences, of the US Department of Energy; Contract grant number: DE-AC02-05CH11231; Contract grant sponsor: Defense Threat Reduction Agency; Contract grant number: IACRO B1144571 NR 34 TC 41 Z9 41 U1 2 U2 60 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0006-3525 J9 BIOPOLYMERS JI Biopolymers PY 2011 VL 96 IS 5 SI SI BP 586 EP 595 DI 10.1002/bip.21590 PG 10 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 826WD UT WOS:000295385400007 PM 22180906 ER PT J AU Robinson, DB Buffleben, GM Langham, ME Zuckermann, RN AF Robinson, David B. Buffleben, George M. Langham, Mary E. Zuckermann, Ronald N. TI Stabilization of Nanoparticles Under Biological Assembly Conditions Using Peptoids SO BIOPOLYMERS LA English DT Article DE magnesium; origami; nanostructures ID AROMATIC SIDE-CHAINS; GOLD NANOPARTICLES; MONOLAYER FILMS; DNA ORIGAMI; NANOCRYSTALS; DISULFIDES; OLIGOMERS; HELICES; DESIGN; THIOLS AB Sequence-specific polymers are proving to be a powerful approach to assembly and manipulation of matter on the nanometer scale. This has been most impressive in the case of DNA, and progress has been made toward templating inorganic nanoparticles using DNA nanostructures. One obstacle to this progress is that inorganic nanomaterials are often incompatible with DNA assembly conditions, which involve aqueous solutions high in either or both monovalent and divalent salt. Synthetic oligopeptide ligands have been shown by others to improve nanoparticle stability in high concentrations of monovalent salt. Ligands that are peptoids, or sequence-specific N-functional glycine oligomers, allow precise and flexible control over the arrangement of binding groups, steric spacers, charge, and other functionality. We have synthesized short peptoids that can prevent the aggregation of gold nanoparticles in high-salt environments including divalent salt, and allow coadsorption of a single DNA molecule. This degree of precision and versatility is likely to prove essential in bottom-up assembly of nanostructures and in biomedical applications of nanomaterials. (C) 2011 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 96: 669-678, 2011. C1 [Robinson, David B.; Buffleben, George M.; Langham, Mary E.] Sandia Natl Labs, Livermore, CA 94551 USA. [Zuckermann, Ronald N.] Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Robinson, DB (reprint author), Sandia Natl Labs, POB 969, Livermore, CA 94551 USA. EM drobins@sandia.gov RI Zuckermann, Ronald/A-7606-2014 OI Zuckermann, Ronald/0000-0002-3055-8860 FU Sandia National Laboratories [DE-AC04-94AL85000]; Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-05CH11231] FX Contract grant sponsor: Laboratory-Directed Research and Development Program, Sandia National Laboratories; Contract grant number: DE-AC04-94AL85000; Contract grant sponsor: Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy; Contract grant number: DE-AC02-05CH11231 NR 43 TC 5 Z9 5 U1 3 U2 29 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0006-3525 J9 BIOPOLYMERS JI Biopolymers PY 2011 VL 96 IS 5 SI SI BP 669 EP 678 DI 10.1002/bip.21588 PG 10 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 826WD UT WOS:000295385400014 PM 22180912 ER PT J AU Cooney, MJ Young, G Pate, R AF Cooney, Michael J. Young, Greg Pate, Ronald TI Bio-oil from photosynthetic microalgae: Case study SO BIORESOURCE TECHNOLOGY LA English DT Article DE Microalgae; Systems modeling; Biomass productivity; Mass and energy balance ID PORPHYRIDIUM-CRUENTUM; EFFICIENCY; BIODIESEL; RECOVERY; BIOFUELS AB Microalgae possess the potential to produce bio-oils, carbohydrates, protein, amino acids and other value added products, each of which increase its value as a crop. Unfortunately, proven systems do not yet exist for commercial scale production. System designs have generally not adequately accounted for water and energy use at scale, as well as byproduct markets, and thus yielded systems that are both unaffordable and unsustainable. We address energy and water use by presenting a straightforward microalga-to-bio-oil production process and then characterize system performance using steady-state water and energy balances. Practical limitations to commercial production of bio-oils from photosynthetic microalgae are proposed and conclusions drawn regarding system potential for assumed biomass productivities. As this is a theoretical analysis of a generic process and in practice many of the bottlenecks presented remain to be solved, it is our intent that the analysis framework presented herein can be applied to future systems that propose such solutions. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Cooney, Michael J.; Young, Greg; Pate, Ronald] Univ Hawaii Manoa, Hawaii Nat Energy Inst, Honolulu, HI 96822 USA. RP Cooney, MJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mcooney@hawaii.edu; rcpate@sandia.gov NR 33 TC 34 Z9 36 U1 0 U2 24 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD JAN PY 2011 VL 102 IS 1 SI SI BP 166 EP 177 DI 10.1016/j.biortech.2010.06.134 PG 12 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 699IY UT WOS:000285658300024 PM 20673714 ER PT J AU Jennings, EW Schell, DJ AF Jennings, Edward W. Schell, Daniel J. TI Conditioning of dilute-acid pretreated corn stover hydrolysate liquors by treatment with lime or ammonium hydroxide to improve conversion of sugars to ethanol SO BIORESOURCE TECHNOLOGY LA English DT Article DE Cellulose; Conditioning; Detoxification; Ammonium hydroxide; Over liming ID ZYMOMONAS-MOBILIS; FERMENTATION; DETOXIFICATION; LIGNOCELLULOSICS; CA(OH)(2); TOXICITY; BIOMASS; YIELDS; SCALE AB Dilute-acid pretreatment of lignocellulosic biomass enhances the ability of enzymes to hydrolyze cellulose to glucose, but produces many toxic compounds that inhibit fermentation of sugars to ethanol. The objective of this study was to compare the effectiveness of treating hydrolysate liquor with Ca(OH)(2) and NH(4)OH for improving ethanol yields. Corn stover was pretreated in a pilot-scale reactor and then the liquor fraction (hydrolysate) was extracted and treated with various amounts of Ca(OH)(2) or NH(4)OH at several temperatures. Glucose and xylose in the treated liquor were fermented to ethanol using a glucose-xylose fermenting bacteria, Zymomonas mobilis 8b. Sugar losses up to 10% occurred during treatment with Ca(OH)(2), but these losses were two to fourfold lower with NH(4)OH treatment. Ethanol yields for NH(4)OH-treated hydrolysate were 33% greater than those achieved in Ca(OH)(2)-treated hydrolysate and pH adjustment to either 6.0 or 8.5 with NH(4)OH prior to fermentation produced equivalent ethanol yields. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Jennings, Edward W.; Schell, Daniel J.] Natl Bioenergy Ctr, Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Jennings, EW (reprint author), Natl Bioenergy Ctr, Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM ed.jennings@nrel.gov FU Office of the Biomass Program of the U.S. Department of Energy FX Funding for this work was provided by the Office of the Biomass Program of the U.S. Department of Energy. We would like to thank Jody Farmer, Bob Lyons, and Wes Hjelm for performing the pilot-scale pretreatment that supplied the hydrolysate used in this study. NR 23 TC 14 Z9 14 U1 2 U2 18 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD JAN PY 2011 VL 102 IS 2 BP 1240 EP 1245 DI 10.1016/j.biortech.2010.08.024 PG 6 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 714BU UT WOS:000286782700112 PM 20801647 ER PT J AU Bals, B Wedding, C Balan, V Sendich, E Dale, B AF Bals, Bryan Wedding, Chris Balan, Venkatesh Sendich, Elizabeth Dale, Bruce TI Evaluating the impact of ammonia fiber expansion (AFEX) pretreatment conditions on the cost of ethanol production SO BIORESOURCE TECHNOLOGY LA English DT Article DE AFEX; Process economics; Pretreatment; Techno-economic model; Biomass conversion ID ENZYMATIC-HYDROLYSIS; CORN STOVER; IMPROVEMENTS; TECHNOLOGIES; OPTIMIZATION; SWITCHGRASS AB Ammonia fiber expansion (AFEX) pretreatment is an ammonia-based process for improving the susceptibility of lignocellulosic biomass to enzymatic attack. Four parameters - ammonia loading, water loading, reaction temperature, and residence time - can be varied in order to optimize AFEX pretreatment. The effect of these parameters on process economics of ethanol production was studied using a leading biorefinery model. Ammonia loading and residence time had the greatest impact on the economics of ethanol production, primarily due to processing costs for the chilled water condenser and the capital cost of the AFEX reactor. Water loading and reaction temperature had only modest impact on process economics. In addition, the impact of pretreatment conditions on makeup ammonia requirements was explored experimentally, which ranged from 15 to 25 g ammonia/kg biomass. Overall, pretreatment conditions can change the costs of ethanol production by up to 35 cents per gallon ethanol in an 850 ton/day refinery. By linking the results obtained from this Aspen model to experimental results for ethanol production and makeup ammonia recovery, this study can be used to create an economic optimum for AFEX pretreatment in contrast with simply maximizing fermentable sugar production. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Bals, Bryan; Wedding, Chris; Balan, Venkatesh; Sendich, Elizabeth; Dale, Bruce] Michigan State Univ, Biomass Convers Res Lab, Dept Chem Engn & Mat Sci, Lansing, MI 48910 USA. [Balan, Venkatesh; Dale, Bruce] Michigan State Univ, Great Lakes Bioenergy Res Ctr, Lansing, MI 48910 USA. RP Bals, B (reprint author), Michigan State Univ, Biomass Convers Res Lab, Dept Chem Engn & Mat Sci, 3900 Collins Rd, Lansing, MI 48910 USA. EM balsbrya@msu.edu FU DOE Great Lakes Bioenergy Research Center (DOE BER office of Basic Energy Sciences) [DE-FC02-07ER64494] FX This work was funded by the DOE Great Lakes Bioenergy Research Center (DOE BER office of Basic Energy Sciences DE-FC02-07ER64494). The authors would like to extend their gratitude to Dr. Mark Laser for providing the Aspen Plus model used in this research as well as providing helpful advice and comments. NR 19 TC 38 Z9 38 U1 3 U2 26 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD JAN PY 2011 VL 102 IS 2 BP 1277 EP 1283 DI 10.1016/j.biortech.2010.08.058 PG 7 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 714BU UT WOS:000286782700117 PM 20826086 ER PT J AU Bharadwaj, R Wong, A Knierim, B Singh, S Holmes, BM Auer, M Simmons, BA Adams, PD Singh, AK AF Bharadwaj, Rajiv Wong, April Knierim, Bernhard Singh, Seema Holmes, Bradley M. Auer, Manfred Simmons, Blake A. Adams, Paul D. Singh, Anup K. TI High-throughput enzymatic hydrolysis of lignocellulosic biomass via in-situ regeneration SO BIORESOURCE TECHNOLOGY LA English DT Article DE High-throughput; Cellulase; Ionic liquid; Conductivity; Biofuel ID IONIC LIQUID PRETREATMENT; FILTER-PAPER ASSAY; CELLULASE ACTIVITY; PHOSPHORIC-ACID; DISSOLUTION; LIGNIN; SACCHARIFICATION; RECALCITRANCE; FLUORESCENCE; ADSORPTION AB The high cost of lignocellulolytic enzymes is one of the main barriers towards the development of economically competitive biorefineries. Enzyme engineering can be used to significantly increase the production rate as well as specific activity of enzymes. However, the success of enzyme optimization efforts is currently limited by a lack of robust high-throughput (HIP) cellulase screening platforms for insoluble pretreated lignocellulosic substrates. We have developed a cost-effective microplate based HTP enzyme-screening platform for ionic liquid (IL) pretreated lignocellulose. By performing in-situ biomass regeneration in micro-volumes, we can volumetrically meter biomass (sub-mg loading) and also precisely control the amount of residual IL for engineering novel IL-tolerant cellulases. Our platform only requires straightforward liquid-handling steps and allows the integration of biomass regeneration, washing, saccharification, and imaging steps in a single microtiter plate. The proposed method can be used to screen individual cellulases as well as to develop novel cellulase cocktails. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Bharadwaj, Rajiv; Wong, April; Knierim, Bernhard; Auer, Manfred; Adams, Paul D.; Singh, Anup K.] Joint BioEnergy Inst, Div Technol, Emeryville, CA 94608 USA. [Singh, Seema; Holmes, Bradley M.; Simmons, Blake A.] Joint BioEnergy Inst, Deconstruct Div, Emeryville, CA 94608 USA. [Bharadwaj, Rajiv; Wong, April; Singh, Anup K.] Sandia Natl Labs, Biosyst Res & Dev Dept, Livermore, CA USA. [Singh, Seema; Holmes, Bradley M.; Simmons, Blake A.] Sandia Natl Labs, Biomass Sci & Convers Technol Dept, Livermore, CA USA. RP Bharadwaj, R (reprint author), Joint BioEnergy Inst, Div Technol, 5885 Hollis St,4th Floor, Emeryville, CA 94608 USA. EM rbharad@sandia.gov RI Adams, Paul/A-1977-2013; OI Adams, Paul/0000-0001-9333-8219; Simmons, Blake/0000-0002-1332-1810 FU US Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; Lawrence Berkeley National laboratory; US Department of Energy; United States Department of Energy's Nuclear Security Administration [DE-AC04-94AL85000] FX Switchgrass (MPV2) was kindly provided by Dr. Ken Vogel of the USDA ARS Lincoln. This work was part of the DOE Joint BioEnergy Institute (http://www.jbei.org) supported by the US Department of Energy, Office of Science, Office of Biological and Environmental Research, through contract DE-AC02-05CH11231 between Lawrence Berkeley National laboratory and the US Department of Energy. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's Nuclear Security Administration under contract DE-AC04-94AL85000. NR 45 TC 17 Z9 17 U1 1 U2 23 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD JAN PY 2011 VL 102 IS 2 BP 1329 EP 1337 DI 10.1016/j.biortech.2010.08.108 PG 9 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 714BU UT WOS:000286782700123 PM 20884206 ER PT J AU Kang, L Wang, W Pallapolu, VR Lee, YY AF Kang, Li Wang, Wei Pallapolu, Venkata Ramesh Lee, Yoon Y. TI ENHANCED ETHANOL PRODUCTION FROM DE-ASHED PAPER SLUDGE BY SIMULTANEOUS SACCHARIFICATION AND FERMENTATION AND SIMULTANEOUS SACCHARIFICATION AND CO-FERMENTATION SO BIORESOURCES LA English DT Review DE Paper sludges; Ethanol; High solid loading; Simultaneous Saccharification and Fermentation; Simultaneous Saccharification and Co-Fermentation ID YEAST SACCHAROMYCES-CEREVISIAE; RECOMBINANT ESCHERICHIA-COLI; ENZYMATIC-HYDROLYSIS; INTRACELLULAR PH; PICHIA-STIPITIS; CLAY-MINERALS; SOIL ENZYMES; STEEP LIQUOR; CONVERSION; KO11 AB A previous study demonstrated that paper sludges with high ash contents can be converted to ethanol by simultaneous saccharification and fermentation (SSF) or simultaneous saccharification and co-fermentation (SSCF). High ash content in the sludge, however, limited solid loading in the bioreactor, causing low product concentration. To overcome this problem, sludges were de-ashed before SSF and SSCF. Low ash content in sludges also increased the ethanol yield to the extent that the enzyme dosage required to achieve 70% yield in the fermentation process was reduced by 30%. High solid loading in SSF and SSCF decreased the ethanol yield. High agitation and de-ashing of the sludges were able to restore part of the yield loss caused by high solid loading. Substitution of the laboratory fermentation medium ( peptone and yeast extract) with corn steep liquor did not bring about any adverse effects in the fermentation. Fed-batch operation of the SSCF and SSF using low-ash content sludges was effective in raising the ethanol concentration, achieving 47.8 g/L and 60.0 g/L, respectively. C1 [Kang, Li; Pallapolu, Venkata Ramesh; Lee, Yoon Y.] Auburn Univ, Dept Chem Engn, Auburn, AL 36849 USA. [Wang, Wei] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Lee, YY (reprint author), Auburn Univ, Dept Chem Engn, Auburn, AL 36849 USA. EM yylee@eng.auburn.edu FU Masada; LLC; Alabama Center for Renewable Resources Engineering; Laboratory of Biofuels and Biomaterials; Auburn University, AL, USA FX The authors are grateful for the financial support provided by Masada, LLC, Alabama Center for Renewable Resources Engineering, and Laboratory of Biofuels and Biomaterials, Auburn University, AL, USA. They also would like to thank Boise Paper, Jackson, AL, USA, for providing paper mill sludges and technical information, and Danisco Genencor, Palo Alto, CA, for providing cellulase enzymes used in this study. NR 40 TC 19 Z9 19 U1 0 U2 11 PU NORTH CAROLINA STATE UNIV DEPT WOOD & PAPER SCI PI RALEIGH PA CAMPUS BOX 8005, RALEIGH, NC 27695-8005 USA SN 1930-2126 J9 BIORESOURCES JI BioResources PY 2011 VL 6 IS 4 BP 3791 EP 3808 PG 18 WC Materials Science, Paper & Wood SC Materials Science GA 862UL UT WOS:000298119500012 ER PT J AU Brown, JH Burnside, WR Davidson, AD DeLong, JP Dunn, WC Hamilton, MJ Mercado-Silva, N Nekola, JC Okie, JG Woodruff, WH Zuo, WY AF Brown, James H. Burnside, William R. Davidson, Ana D. DeLong, John P. Dunn, William C. Hamilton, Marcus J. Mercado-Silva, Norman Nekola, Jeffrey C. Okie, Jordan G. Woodruff, William H. Zuo, Wenyun TI Energetic Limits to Economic Growth SO BIOSCIENCE LA English DT Article DE energy; economic growth; economy; human macroecology; scaling ID SUSTAINABILITY TRANSITION; SCIENCE; ECOLOGY; CONSUMPTION; ENVIRONMENT; TECHNOLOGY; ECOSYSTEMS; TRENDS AB The human population and economy have grown exponentially and now have impacts on climate, ecosystem processes, and biodiversity far exceeding those of any other species. Like all organisms, humans are subject to natural laws and are limited by energy and other resources. In this article, we use a macroecological approach to integrate perspectives of physics, ecology, and economics with an analysis of extensive global data to show how energy imposes fundamental constraints on economic growth and development. We demonstrate a positive scaling relationship between per capita energy use and per capita gross domestic product (GDP) both across nations and within nations over time. Other indicators of socioeconomic status and ecological impact are correlated with energy use and GDP. We estimate global energy consumption for alternative future scenarios of population growth and standards of living. Large amounts of energy will be required to fuel economic growth, increase standards of living, and lift developing nations out of poverty. C1 [Brown, James H.; Burnside, William R.; Dunn, William C.; Okie, Jordan G.; Zuo, Wenyun] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. [Brown, James H.; Hamilton, Marcus J.; Woodruff, William H.] Santa Fe Inst, Santa Fe, NM USA. [Davidson, Ana D.] Univ Nacl Autonoma Mexico, Mexico City, DF, Mexico. [DeLong, John P.] Yale Univ, Dept Ecol & Evolutionary Biol, New Haven, CT 06520 USA. [Mercado-Silva, Norman] Univ Arizona, Arizona Cooperat Fish & Wildlife Res Unit, Sch Nat Resources & Environm, Tucson, AZ USA. [Woodruff, William H.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Brown, JH (reprint author), Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. EM jhbrown@unm.edu OI DeLong, John/0000-0003-0558-8213 FU Howard Hughes Medical Institute; National Institute of Biomedical Imaging and Bioengineering Interfaces; National Science Foundation (NSF) [DEB-0541625, OISE-0653296]; Rockefeller Foundation; National Institutes of Health [DK36263] FX For support we thank the Howard Hughes Medical Institute and National Institute of Biomedical Imaging and Bioengineering Interfaces grant to JHB, JGO, and WZ; National Science Foundation (NSF) Grant DEB-0541625 and the Rockefeller Foundation to MJH; NSF Grant OISE-0653296 to ADD; and National Institutes of Health Grant DK36263 to WHW. We thank the many colleagues who have discussed these ideas with us and encouraged us to write this article. Charles A. S. Hall, Charles Fowler, Joseph A. Tainter, and several anonymous reviewers provided helpful comments on earlier drafts of the manuscript. NR 63 TC 60 Z9 63 U1 8 U2 58 PU AMER INST BIOLOGICAL SCI PI WASHINGTON PA 1444 EYE ST, NW, STE 200, WASHINGTON, DC 20005 USA SN 0006-3568 J9 BIOSCIENCE JI Bioscience PD JAN PY 2011 VL 61 IS 1 BP 19 EP 26 DI 10.1525/bio.2011.61.1.7 PG 8 WC Biology SC Life Sciences & Biomedicine - Other Topics GA 705XP UT WOS:000286174300008 ER PT J AU Xia, JM Jones, AD Lau, MW Yuan, YJ Dale, BE Balan, V AF Xia, Jinmei Jones, A. Daniel Lau, Ming W. Yuan, Ying-Jin Dale, Bruce E. Balan, Venkatesh TI Comparative Lipidomic Profiling of Xylose-Metabolizing S. cerevisiae and Its Parental Strain in Different Media Reveals Correlations Between Membrane Lipids and Fermentation Capacity SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE yeast; lipidome analysis; LC-MS/MS; AFEX; xylose; cellulosic ethanol ID TREATED CORN STOVER; SACCHAROMYCES-CEREVISIAE; YEAST; ETHANOL; PHOSPHATIDYLSERINE; ADAPTATION; PHOSPHATIDYLETHANOLAMINE; PHOSPHATIDYLINOSITOL; BIOSYNTHESIS; FLUIDITY AB Phospholipids (PLs) serve as the foundation for structure and function in most cell membranes. In order to reveal the correlations between PLs composition and fermentation performance of cells, a comparative lipidomics study was carried out using a recombinant xylose fermenting yeast strain Saccharomyces cerevisiae 424A(LNH-ST) and its parental strain 4124. Profiling of yeast lipids was performed using ultra performance liquid chromatography (UPLC)-MS/MS, leading to identification of 123 PL species. PL compositions were determined for both strains grown in rich medium(yeast extract peptone), limited medium (yeast nitrogen base), and ammonia fiber expansion pretreated corn stover hydrolysate. Principal component analysis of lipidomic data revealed that the PL profile for both strains varied significantly depending upon cultivating media composition. Further analysis of different classes of PLs revealed that the phosphatidylinositol/phosphatidylserine (PI/PS) ratio was closely related to cell growth rates. Both strains possessed higher phosphatidylcholine (PC) levels at an expense of phosphatidylethanolamine (PE) levels when entering stationary phase and the PC/PE ratios showed consistency with glucose utilization rates. Interestingly, PI synthesis lagged behind when available nutrients were limited, and PI levels were closely correlated with xylose metabolism. Biotechnol. Bioeng. 2011;108: 12-21. (C) 2010 Wiley Periodicals, Inc. C1 [Xia, Jinmei; Yuan, Ying-Jin] Tianjin Univ, Minist Educ, Key Lab Syst Bioengn, Tianjin 300072, Peoples R China. [Xia, Jinmei; Yuan, Ying-Jin] Tianjin Univ, Dept Pharmaceut Engn, Sch Chem Engn & Technol, Tianjin 300072, Peoples R China. [Jones, A. Daniel; Dale, Bruce E.; Balan, Venkatesh] Michigan State Univ, DOE Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. [Jones, A. Daniel] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA. [Jones, A. Daniel] Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA. [Lau, Ming W.; Dale, Bruce E.; Balan, Venkatesh] Michigan State Univ, Dept Chem Engn & Mat Sci, BCRL, Lansing, MI 48910 USA. RP Yuan, YJ (reprint author), Tianjin Univ, Minist Educ, Key Lab Syst Bioengn, POB 6888, Tianjin 300072, Peoples R China. EM yjyuan@tju.edu.cn; balan@msu.edu RI Jones, Arthur/C-2670-2013 OI Jones, Arthur/0000-0002-7408-6690 FU US Department of Energy Great Lakes Bioenergy Research Center [BER DE-FC02-07ER64494]; Michigan Agricultural Experiment Station; China Scholarship Council, Ministry of Education of the P.R. China; National Natural Science Foundation of China [20736006]; National Basic Research Program of China ("973" Program) [2007CB714301]; Key Projects in the National Science & Technology Pillar Program [2007BAD42B02]; MOST [2006DFA62400]; NSF [DBI-0619489] FX Contract grant sponsor: US Department of Energy Great Lakes Bioenergy Research Center; Contract grant number: BER DE-FC02-07ER64494; Contract grant sponsor: Michigan Agricultural Experiment Station; Contract grant sponsor: China Scholarship Council, Ministry of Education of the P.R. China; Contract grant sponsor: National Natural Science Foundation of China; Contract grant number: 20736006; Contract grant sponsor: National Basic Research Program of China ("973" Program); Contract grant number: 2007CB714301; Contract grant sponsor: Key Projects in the National Science & Technology Pillar Program; Contract grant number: 2007BAD42B02; Contract grant sponsor: International Collaboration Project of MOST; Contract grant number: 2006DFA62400; Contract grant sponsor: NSF Major Research Instrumentation; Contract grant number: DBI-0619489 NR 40 TC 12 Z9 13 U1 0 U2 23 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0006-3592 J9 BIOTECHNOL BIOENG JI Biotechnol. Bioeng. PD JAN PY 2011 VL 108 IS 1 BP 12 EP 21 DI 10.1002/bit.22910 PG 10 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 686SY UT WOS:000284717200002 PM 20803565 ER PT J AU Rollin, JA Zhu, ZG Sathitsuksanoh, N Zhang, YHP AF Rollin, Joseph A. Zhu, Zhiguang Sathitsuksanoh, Noppadon Zhang, Y. -H. Percival TI Increasing Cellulose Accessibility Is More Important Than Removing Lignin: A Comparison of Cellulose Solvent-Based Lignocellulose Fractionation and Soaking in Aqueous Ammonia SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE biofuels; biomass pretreatment; cellulose solvent- and organic solvent-based lignocellulose fractionation (COSLIF); cellulose accessibility to cellulase; lignin removal; soaking in aqueous ammonia (SAA) ID ENZYMATIC-HYDROLYSIS; CORN STOVER; PRETREATMENT TECHNOLOGIES; STRUCTURAL FEATURES; BIOMASS; DIGESTIBILITY; ADSORPTION; CELLULASES; ACID; SACCHARIFICATION AB While many pretreatments attempt to improve the enzymatic digestibility of biomass by removing lignin, this study shows that improving the surface area accessible to cellulase is a more important factor for achieving a high sugar yield. Here we compared the pretreatment of switch-grass by two methods, cellulose solvent-and organic solvent-based lignocellulose fractionation (COSLIF) and soaking in aqueous ammonia (SAA). Following pretreatment, enzymatic hydrolysis was conducted at two cellulase loadings, 15 filter paper units (FPU)/g glucan and 3 FPU/g glucan, with and without BSA blocking of lignin absorption sites. The hydrolysis results showed that the lignin remaining after SAA had a significant negative effect on cellulase performance, despite the high level of delignification achieved with this pretreatment. No negative effect due to lignin was detected for COSLIF-treated substrate. SEM micrographs, XRD crystallinity measurements, and cellulose accessibility to cellulase (CAC) determinations confirmed that COSLIF fully disrupted the cell wall structure, resulting in a 16-fold increase in CAC, while SAA caused a 1.4-fold CAC increase. A surface plot relating the lignin removal, CAC, and digestibility of numerous samples (both pure cellulosic substrates and lignocellulosic materials pretreated by several methods) was also developed to better understand the relative impacts of delignification and CAC on glucan digestibility. Biotechnol. Bioeng. 2011;108: 22-30. (C) 2010 Wiley Periodicals, Inc. C1 [Rollin, Joseph A.; Zhu, Zhiguang; Sathitsuksanoh, Noppadon; Zhang, Y. -H. Percival] Virginia Polytech Inst & State Univ, Dept Biol Syst Engn, Blacksburg, VA 24061 USA. [Sathitsuksanoh, Noppadon; Zhang, Y. -H. Percival] Virginia Polytech Inst & State Univ, ICTAS, Blacksburg, VA 24061 USA. [Zhang, Y. -H. Percival] DOE BioEnergy Sci Ctr BESC, Oak Ridge, TN USA. RP Zhang, YHP (reprint author), Virginia Polytech Inst & State Univ, Dept Biol Syst Engn, 210-A Seitz Hall, Blacksburg, VA 24061 USA. EM ypzhang@vt.edu RI sathitsuksanoh, noppadon/O-6305-2014; Zhu, Zhiguang/I-3936-2016 OI sathitsuksanoh, noppadon/0000-0003-1521-9155; FU DOE BioEnergy Science Center (BESC); Office of Biological and Environmental Research in the DOE Office of Science; USDA Bioprocessing and Biodesign Center; DuPont; ICTAS FX This work was supported mainly by the DOE BioEnergy Science Center (BESC). The BioEnergy Science Center is a U.S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. This work is also partially by the USDA Bioprocessing and Biodesign Center and DuPont Young Professor Award. Noppadon Sathitsuksanoh was partially supported by the ICTAS scholar program. NR 48 TC 138 Z9 143 U1 6 U2 120 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0006-3592 J9 BIOTECHNOL BIOENG JI Biotechnol. Bioeng. PD JAN PY 2011 VL 108 IS 1 BP 22 EP 30 DI 10.1002/bit.22919 PG 9 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 686SY UT WOS:000284717200003 PM 20812260 ER PT J AU Bazarov, AV Yaswen, P AF Bazarov, Alexey V. Yaswen, Paul TI Who is in the driver's seat in 8p12 amplifications? ZNF703 in luminal B breast tumors SO BREAST CANCER RESEARCH LA English DT Article ID SUBTYPES; GENES AB Two recent reports identify ZNF703 as an oncogene driving selection of frequent chromosome 8p12 amplifications in luminal B breast tumors. The estrogen-responsive ZNF703 gene encodes a transcriptional cofactor that, when overexpressed, induces cell proliferation and interferes with transforming growth factor beta signaling. In MCF7 cells, increased ZNF703 expression results in activation of genes involved in stem cell self-renewal - while in primary human mammary epithelial cells, ZNF703 increases the ratio of luminal to basal progenitors. Expression of the murine homolog of ZNF703 reduces cell adhesion and promotes metastasis. ZNF703 overexpression thus alters regulation of proliferation and differentiation in luminal B tumors. C1 [Bazarov, Alexey V.; Yaswen, Paul] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. [Bazarov, Alexey V.] Univ Calif San Francisco, Dept Med, Div Hematol Oncol, San Francisco, CA 94143 USA. RP Yaswen, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. EM P_Yaswen@lbl.gov NR 11 TC 8 Z9 8 U1 0 U2 2 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1465-542X J9 BREAST CANCER RES JI Breast Cancer Res. PY 2011 VL 13 IS 3 AR 308 DI 10.1186/bcr2873 PG 2 WC Oncology SC Oncology GA 832ID UT WOS:000295797100033 PM 21635707 ER PT J AU Hathaway, HJ Butler, KS Adolphi, NL Lovato, DM Belfon, R Fegan, D Monson, TC Trujillo, JE Tessier, TE Bryant, HC Huber, DL Larson, RS Flynn, ER AF Hathaway, Helen J. Butler, Kimberly S. Adolphi, Natalie L. Lovato, Debbie M. Belfon, Robert Fegan, Danielle Monson, Todd C. Trujillo, Jason E. Tessier, Trace E. Bryant, Howard C. Huber, Dale L. Larson, Richard S. Flynn, Edward R. TI Detection of breast cancer cells using targeted magnetic nanoparticles and ultra-sensitive magnetic field sensors SO BREAST CANCER RESEARCH LA English DT Article ID SQUID-RELAXOMETRY; EXPERIENCE; MAMMOGRAMS; TUMOR AB Introduction: Breast cancer detection using mammography has improved clinical outcomes for many women, because mammography can detect very small (5 mm) tumors early in the course of the disease. However, mammography fails to detect 10 - 25% of tumors, and the results do not distinguish benign and malignant tumors. Reducing the false positive rate, even by a modest 10%, while improving the sensitivity, will lead to improved screening, and is a desirable and attainable goal. The emerging application of magnetic relaxometry, in particular using superconducting quantum interference device (SQUID) sensors, is fast and potentially more specific than mammography because it is designed to detect tumor-targeted iron oxide magnetic nanoparticles. Furthermore, magnetic relaxometry is theoretically more specific than MRI detection, because only target-bound nanoparticles are detected. Our group is developing antibody-conjugated magnetic nanoparticles targeted to breast cancer cells that can be detected using magnetic relaxometry. Methods: To accomplish this, we identified a series of breast cancer cell lines expressing varying levels of the plasma membrane-expressed human epidermal growth factor-like receptor 2 (Her2) by flow cytometry. Anti-Her2 antibody was then conjugated to superparamagnetic iron oxide nanoparticles using the carbodiimide method. Labeled nanoparticles were incubated with breast cancer cell lines and visualized by confocal microscopy, Prussian blue histochemistry, and magnetic relaxometry. Results: We demonstrated a time- and antigen concentration-dependent increase in the number of antibody-conjugated nanoparticles bound to cells. Next, anti Her2-conjugated nanoparticles injected into highly Her2-expressing tumor xenograft explants yielded a significantly higher SQUID relaxometry signal relative to unconjugated nanoparticles. Finally, labeled cells introduced into breast phantoms were measured by magnetic relaxometry, and as few as 1 million labeled cells were detected at a distance of 4.5 cm using our early prototype system. Conclusions: These results suggest that the antibody-conjugated magnetic nanoparticles are promising reagents to apply to in vivo breast tumor cell detection, and that SQUID-detected magnetic relaxometry is a viable, rapid, and highly sensitive method for in vitro nanoparticle development and eventual in vivo tumor detection. C1 [Hathaway, Helen J.; Belfon, Robert] Univ New Mexico, Dept Cell Biol & Physiol, Sch Med, Albuquerque, NM 87131 USA. [Hathaway, Helen J.; Adolphi, Natalie L.; Larson, Richard S.; Flynn, Edward R.] Univ New Mexico, Canc Res & Treatment Ctr, Sch Med, Albuquerque, NM 87131 USA. [Butler, Kimberly S.; Lovato, Debbie M.; Trujillo, Jason E.; Larson, Richard S.] Univ New Mexico, Dept Pathol, Sch Med, Albuquerque, NM 87131 USA. [Adolphi, Natalie L.] Univ New Mexico, Dept Biochem & Mol Biol, Sch Med, Albuquerque, NM 87131 USA. [Fegan, Danielle; Trujillo, Jason E.; Tessier, Trace E.; Bryant, Howard C.; Flynn, Edward R.] Senior Sci LLC, Albuquerque, NM 87106 USA. [Monson, Todd C.] Sandia Natl Labs, Nanomat Sci Dept, Albuquerque, NM 87185 USA. [Huber, Dale L.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Hathaway, HJ (reprint author), Univ New Mexico, Dept Cell Biol & Physiol, Sch Med, MSC08 4750,1 Univ New Mexico, Albuquerque, NM 87131 USA. EM hhathaway@salud.unm.edu RI Huber, Dale/A-6006-2008 OI Huber, Dale/0000-0001-6872-8469 FU National Institutes of Health [R44CA096154]; Howard Hughes Medical Institute; US Department of Energy [DE-AC04-94AL85000]; NCI [P30 CA118100]; NCRR [1S10RR025540]; NIDDK [3R301 DK050141]; NIGMS [P50 GM085273] FX We thank Tyler Stevens for assistance in preparing samples for susceptometry. Senior Scientific LLC acknowledges the support of the National Institutes of Health (grant R44CA096154). JET acknowledges the support of the Howard Hughes Medical Institute Medical Research Training Fellowship program. This work was performed, in part, at the Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin (Bethesda, MD, USA) company, for the US Department of Energy under contract DE-AC04-94AL85000. Confocal images were generated in the University of New Mexico & Cancer Center Fluorescence Microscopy Shared Resource (supported by NCI P30 CA118100, NCRR 1S10RR025540, NIDDK 3R301 DK050141, and NIGMS P50 GM085273). NR 19 TC 43 Z9 43 U1 3 U2 25 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1465-542X J9 BREAST CANCER RES JI Breast Cancer Res. PY 2011 VL 13 IS 5 AR R108 PG 13 WC Oncology SC Oncology GA 874AT UT WOS:000298928100024 PM 22035507 ER PT J AU Huang, C Park, CC Hilsenbeck, SG Ward, R Rimawi, MF Wang, YC Shou, J Bissell, MJ Osborne, CK Schiff, R AF Huang, Catherine Park, Catherine C. Hilsenbeck, Susan G. Ward, Robin Rimawi, Mothaffar F. Wang, Yen-chao Shou, Jiang Bissell, Mina J. Osborne, C. Kent Schiff, Rachel TI beta 1 integrin mediates an alternative survival pathway in breast cancer cells resistant to lapatinib SO BREAST CANCER RESEARCH LA English DT Article ID GROWTH-FACTOR RECEPTOR; FOCAL ADHESION KINASE; IN-VIVO; TRASTUZUMAB RESISTANCE; THERAPEUTIC TARGET; DRUG-RESISTANCE; BASAL-LIKE; APOPTOSIS; SRC; INHIBITOR AB Introduction: The overexpression of human epidermal growth factor receptor (HER)-2 in 20% of human breast cancers and its association with aggressive growth has led to widespread use of HER2-targeted therapies, such as trastuzumab (T) and lapatinib (L). Despite the success of these drugs, their efficacy is limited in patients whose tumors demonstrate de novo or acquired resistance to treatment. The beta 1 integrin resides on the membrane of the breast cancer cell, activating several elements of breast tumor progression including proliferation and survival. Methods: We developed a panel of HER2-overexpressing cell lines resistant to L, T, and the potent LT combination through long-term exposure and validated these models in 3D culture. Parental and L/T/LT-resistant cells were subject to HER2 and beta 1 integrin inhibitors in 3D and monitored for 12 days, followed by quantification of colony number. Parallel experiments were conducted where cells were either stained for Ki-67 and Terminal deoxynucleotidyl transferase dUTP nick end labeling (TUNEL) or harvested for protein and analyzed by immunoblot. Results were subjected to statistical testing using analysis of variance and linear contrasts, followed by adjustment with the Sidak method. Results: Using multiple cell lines including BT474 and HCC1954, we reveal that in L and LT resistance, where phosphorylation of EGFR/HER1, HER2, and HER3 are strongly inhibited, kinases downstream of beta 1 integrin-including focal adhesion kinase (FAK) and Src-are up-regulated. Blockade of beta 1 by the antibody AIIB2 abrogates this up-regulation and functionally achieves significant growth inhibition of L and LT resistant cells in 3D, without dramatically affecting the parental cells. SiRNA against beta 1 as well as pharmacologic inhibition of FAK achieve the same growth inhibitory effect. In contrast, trastuzumab-resistant cells, which retain high levels of phosphorylated EGFR/HER1, HER2, and HER3, are only modestly growth-inhibited by AIIB2. Conclusions: Our data suggest that HER2 activity, which is suppressed in resistance involving L but not T alone, dictates whether beta 1 mediates an alternative pathway driving resistance. Our findings justify clinical studies investigating the inhibition of beta 1 or its downstream signaling moieties as strategies to overcome acquired L and LT resistance. C1 [Huang, Catherine; Hilsenbeck, Susan G.; Ward, Robin; Rimawi, Mothaffar F.; Wang, Yen-chao; Shou, Jiang; Osborne, C. Kent; Schiff, Rachel] Baylor Coll Med, Lester & Sue Smith Breast Ctr, Houston, TX 77054 USA. [Park, Catherine C.] Univ Calif San Francisco, Dept Radiat Oncol, San Francisco, CA 94143 USA. [Bissell, Mina J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Canc & DNA Damage Responses, Berkeley, CA 94720 USA. RP Schiff, R (reprint author), Baylor Coll Med, Lester & Sue Smith Breast Ctr, 1 Baylor Plaza, Houston, TX 77054 USA. EM rschiff@bcm.edu FU Susan G. Komen Race for the Cure [BCTR0708226]; National Cancer Institute [P50 CA058183]; Entertainment Industry Foundation (EIF)/Lee Jeans Translational Breast Cancer Research Program; Stand Up to Cancer Breast Cancer Program; Breast Cancer Research Foundation (BCRF); NIH [1R01CA124891-01]; American Cancer Society [RSG-07-1110-01-CCE] FX This work was funded by Susan G. Komen Race for the Cure (BCTR0708226), Breast Cancer Specialized Program of Research Excellence grant (SPORE) P50 CA058183 from the National Cancer Institute, the Entertainment Industry Foundation (EIF)/Lee Jeans Translational Breast Cancer Research Program, the Stand Up to Cancer Breast Cancer Program, and the Breast Cancer Research Foundation (BCRF). We acknowledge support from NIH 1R01CA124891-01 and American Cancer Society RSG-07-1110-01-CCE to CP. NR 49 TC 65 Z9 67 U1 1 U2 10 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1465-542X J9 BREAST CANCER RES JI Breast Cancer Res. PY 2011 VL 13 IS 4 AR R84 DI 10.1186/bcr2936 PG 15 WC Oncology SC Oncology GA 850BP UT WOS:000297169700013 PM 21884573 ER PT J AU Hun, DE Corsi, RL Morandi, MT Siegel, JA AF Hun, Diana E. Corsi, Richard L. Morandi, Maria T. Siegel, Jeffrey A. TI Automobile proximity and indoor residential concentrations of BTEX and MTBE SO BUILDING AND ENVIRONMENT LA English DT Article DE Attached garages; Benzene; Exposure; Gasoline; RIOPA ID VOLATILE ORGANIC-COMPOUNDS; NEW-YORK-CITY; COMPOUND CONCENTRATIONS; PERSONAL EXPOSURE; ATTACHED GARAGES; RISK-ASSESSMENT; AIR-POLLUTANTS; LOS-ANGELES; COMMUNITY; POLLUTION AB Attached garages have been identified as important sources of indoor residential air pollution. However, the literature lacks information on (1) how the proximity of cars to the living area affects indoor concentrations of gasoline-related compounds, such as benzene: and (2) the origin of these pollutants, i.e., vapor or tailpipe emissions. We analyzed data from the Relationships of Indoor, Outdoor, and Personal Air (RIOPA) study to evaluate indoor (C(in)) and outdoor (C(out)) concentrations for 114 residences with cars either in an attached garage, a detached garage or carport, or without cars. Results indicate that single-family detached homes with cars in attached garages were affected the most by parked vehicles, followed by homes with vehicles in carports. Concentrations in homes with cars in detached garages were similar to those in residences without cars. Low ventilation rates exacerbated Cin in homes with attached garages. In general, the contribution from gasoline-related sources to indoor benzene and MTBE concentrations appeared to have been dominated by car exhaust, or by a combination of tailpipe and gasoline vapor emissions. Residing in a home with an attached garage could lead to benzene exposures that are an order of magnitude higher than exposures from commuting in a car in heavy traffic, with a risk of 17 excess cancers in a population of a million. Strategies to lower exposure to gasoline-related contaminants in homes include improving construction practices to prevent the infiltration of pollutants into the living quarters or incorporating detached garages. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Siegel, Jeffrey A.] Univ Texas Austin, Dept Civil Architectural & Environm Engn, Austin, TX 78712 USA. [Hun, Diana E.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Morandi, Maria T.] Univ Texas Hlth Sci Ctr, Sch Publ Hlth, Houston, TX USA. RP Siegel, JA (reprint author), Univ Texas Austin, Dept Civil Architectural & Environm Engn, 1 Univ Stn C1752, Austin, TX 78712 USA. EM hunde@ornl.gov; corsi@mail.utexas.edu; maria.t.morandi@uth.tmc.edu; jasiegel@mail.utexas.edu RI Siegel, Jeffrey/D-6716-2013 FU National Science Foundation (NSF) [DGE 0549428] FX Diana E. Hun was funded by a National Science Foundation (NSF) IGERT program in Indoor Environmental Science and Engineering (Award DGE 0549428). NR 27 TC 10 Z9 10 U1 1 U2 22 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-1323 J9 BUILD ENVIRON JI Build. Environ. PD JAN PY 2011 VL 46 IS 1 BP 45 EP 53 DI 10.1016/j.buildenv.2010.06.015 PG 9 WC Construction & Building Technology; Engineering, Environmental; Engineering, Civil SC Construction & Building Technology; Engineering GA 657IY UT WOS:000282407600006 ER PT B AU Nutaro, J AF Nutaro, Jim BA Nutaro, JJ BF Nutaro, JJ TI BUILDING SOFTWARE FOR SIMULATION Theory and Algorithms, with Applications in C plus plus INTRODUCTION SO BUILDING SOFTWARE FOR SIMULATION: THEORY AND ALGORITHMS, WITH APPLICATIONS IN C++ LA English DT Editorial Material; Book Chapter C1 Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Nutaro, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BLACKWELL SCIENCE PUBL PI OXFORD PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND BN 978-0-470-87798-2; 978-0-470-41469-9 PY 2011 BP 1 EP 6 PG 6 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BA5JW UT WOS:000336740200002 ER PT B AU Nutaro, J AF Nutaro, Jim BA Nutaro, JJ BF Nutaro, JJ TI FIRST EXAMPLE: SIMULATING A ROBOTIC TANK SO BUILDING SOFTWARE FOR SIMULATION: THEORY AND ALGORITHMS, WITH APPLICATIONS IN C++ LA English DT Article; Book Chapter C1 Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Nutaro, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BLACKWELL SCIENCE PUBL PI OXFORD PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND BN 978-0-470-87798-2; 978-0-470-41469-9 PY 2011 BP 7 EP 31 PG 25 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BA5JW UT WOS:000336740200003 ER PT B AU Nutaro, J AF Nutaro, Jim BA Nutaro, JJ BF Nutaro, JJ TI BUILDING SOFTWARE FOR SIMULATION Theory and Algorithms, with Applications in C plus plus PREFACE SO BUILDING SOFTWARE FOR SIMULATION: THEORY AND ALGORITHMS, WITH APPLICATIONS IN C++ LA English DT Editorial Material; Book Chapter C1 Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Nutaro, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BLACKWELL SCIENCE PUBL PI OXFORD PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND BN 978-0-470-87798-2; 978-0-470-41469-9 PY 2011 BP IX EP + PG 11 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BA5JW UT WOS:000336740200001 ER PT B AU Nutaro, J AF Nutaro, Jim BA Nutaro, JJ BF Nutaro, JJ TI DISCRETE-TIME SYSTEMS SO BUILDING SOFTWARE FOR SIMULATION: THEORY AND ALGORITHMS, WITH APPLICATIONS IN C++ LA English DT Article; Book Chapter C1 Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Nutaro, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BLACKWELL SCIENCE PUBL PI OXFORD PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND BN 978-0-470-87798-2; 978-0-470-41469-9 PY 2011 BP 32 EP 99 PG 68 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BA5JW UT WOS:000336740200004 ER PT B AU Nutaro, J AF Nutaro, Jim BA Nutaro, JJ BF Nutaro, JJ TI DISCRETE-EVENT SYSTEMS SO BUILDING SOFTWARE FOR SIMULATION: THEORY AND ALGORITHMS, WITH APPLICATIONS IN C++ LA English DT Article; Book Chapter C1 Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Nutaro, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BLACKWELL SCIENCE PUBL PI OXFORD PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND BN 978-0-470-87798-2; 978-0-470-41469-9 PY 2011 BP 100 EP 181 PG 82 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BA5JW UT WOS:000336740200005 ER PT B AU Nutaro, J AF Nutaro, Jim BA Nutaro, JJ BF Nutaro, JJ TI HYBRID SYSTEMS SO BUILDING SOFTWARE FOR SIMULATION: THEORY AND ALGORITHMS, WITH APPLICATIONS IN C++ LA English DT Article; Book Chapter C1 Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Nutaro, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BLACKWELL SCIENCE PUBL PI OXFORD PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND BN 978-0-470-87798-2; 978-0-470-41469-9 PY 2011 BP 182 EP 236 PG 55 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BA5JW UT WOS:000336740200006 ER PT B AU Nutaro, J AF Nutaro, Jim BA Nutaro, JJ BF Nutaro, JJ TI APPLICATIONS SO BUILDING SOFTWARE FOR SIMULATION: THEORY AND ALGORITHMS, WITH APPLICATIONS IN C++ LA English DT Article; Book Chapter C1 Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Nutaro, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BLACKWELL SCIENCE PUBL PI OXFORD PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND BN 978-0-470-87798-2; 978-0-470-41469-9 PY 2011 BP 237 EP 270 PG 34 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BA5JW UT WOS:000336740200007 ER PT B AU Nutaro, J AF Nutaro, Jim BA Nutaro, JJ BF Nutaro, JJ TI THE FUTURE SO BUILDING SOFTWARE FOR SIMULATION: THEORY AND ALGORITHMS, WITH APPLICATIONS IN C++ LA English DT Article; Book Chapter C1 Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Nutaro, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BLACKWELL SCIENCE PUBL PI OXFORD PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND BN 978-0-470-87798-2; 978-0-470-41469-9 PY 2011 BP 271 EP 278 PG 8 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BA5JW UT WOS:000336740200008 ER PT B AU Nutaro, J AF Nutaro, Jim BA Nutaro, JJ BF Nutaro, JJ TI DESIGN AND TEST OF SIMULATIONS SO BUILDING SOFTWARE FOR SIMULATION: THEORY AND ALGORITHMS, WITH APPLICATIONS IN C++ LA English DT Article; Book Chapter C1 Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Nutaro, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BLACKWELL SCIENCE PUBL PI OXFORD PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND BN 978-0-470-87798-2; 978-0-470-41469-9 PY 2011 BP 279 EP 295 PG 17 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BA5JW UT WOS:000336740200009 ER PT B AU Nutaro, J AF Nutaro, Jim BA Nutaro, JJ BF Nutaro, JJ TI PARALLEL DISCRETE-EVENT SIMULATION SO BUILDING SOFTWARE FOR SIMULATION: THEORY AND ALGORITHMS, WITH APPLICATIONS IN C++ LA English DT Article; Book Chapter C1 Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Nutaro, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BLACKWELL SCIENCE PUBL PI OXFORD PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND BN 978-0-470-87798-2; 978-0-470-41469-9 PY 2011 BP 296 EP 330 PG 35 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BA5JW UT WOS:000336740200010 ER PT B AU Nutaro, J AF Nutaro, Jim BA Nutaro, JJ BF Nutaro, JJ TI MATHEMATICAL TOPICS SO BUILDING SOFTWARE FOR SIMULATION: THEORY AND ALGORITHMS, WITH APPLICATIONS IN C++ LA English DT Article; Book Chapter C1 Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Nutaro, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BLACKWELL SCIENCE PUBL PI OXFORD PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND BN 978-0-470-87798-2; 978-0-470-41469-9 PY 2011 BP 331 EP 334 PG 4 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BA5JW UT WOS:000336740200011 ER PT J AU Zhou, BZ Gu, LH Ding, YH Shao, L Wu, ZM Yang, XS Li, CZ Li, ZC Wang, XM Cao, YH Zeng, BS Yu, MK Wang, MY Wang, SK Sun, HG Duan, AG An, YF Wang, X Kong, WJ AF Zhou, Benzhi Gu, Lianhong Ding, Yihui Shao, Lan Wu, Zhongmin Yang, Xiaosheng Li, Changzhu Li, Zhengcai Wang, Xiaoming Cao, Yonghui Zeng, Bingshan Yu, Mukui Wang, Mingyu Wang, Shengkun Sun, Honggang Duan, Aiguo An, Yanfei Wang, Xu Kong, Weijian TI THE GREAT 2008 CHINESE ICE STORM Its Socioeconomic-Ecological Impact and Sustainability Lessons Learned SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY LA English DT Article ID UNITED-STATES; MANAGEMENT; DISASTERS; MONSOON; FORESTS; EVENTS; POLICY; FLOOD AB THE GREAT 2008 CHINESE ICE STORM: ITS SOCIOECONOMIC-ECOLOGICAL IMPACT AND. SUSTAINABILITY LESSONS. LEARNED Extreme events often expose vulnerabilities of socioeconomic infrastructures and point to directions of much-needed policy change. Integrated impact assessment of such events can lead to finding of sustainability principles. Southern and central China has for decades been undergoing a breakneck pace of socioeconomic development. In early 2008, a massive ice storm struck this region, immobilizing millions of people. The storm was a consequence of sustained convergence between tropical maritime and continental polar air masses, caused by an anomalously stable atmospheric general circulation pattern in both low and high latitudes. Successive waves of freezing rain occurred during a month period, coating southern and central China with a layer of ice 50-160 mm in thickness. We conducted an integrated impact assessment of this event to determine whether and how the context of socioeconomic and human-disturbed natural systems may affect the transition of natural events into human disasters. We found that 1) without contingency plans, advanced technologies dependent on interrelated energy supplies can create worse problems during extreme events, 2) the weakest link in disaster response lies between science and decision making, 3) biodiversity is a form of long-term insurance for sustainable forestry against extreme events, 4) sustainable extraction of nontimber goods and services is essential to risk planning for extreme events in forest resources use, 5) extreme events can cause food shortage directly by destroying crops and indirectly by disrupting food distribution channels, 6) concentrated economic development increases societal vulnerability to extreme events, and 7) formalized institutional mechanisms are needed to ensure that unexpected opportunities to learn lessons from weather disasters are not lost in distracting circumstances. (Page 47) C1 [Gu, Lianhong] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Zhou, Benzhi; Yang, Xiaosheng; Li, Zhengcai; Wang, Xiaoming; Cao, Yonghui; Yu, Mukui; Sun, Honggang; An, Yanfei; Kong, Weijian] Chinese Acad Forestry, Res Inst Subtrop Forestry, Fuyang, Peoples R China. [Ding, Yihui] China Meteorol Adm, Natl Climate Ctr, Beijing, Peoples R China. [Shao, Lan] China Natl Forestry Ind Assoc, Beijing, Peoples R China. [Wu, Zhongmin; Zeng, Bingshan; Wang, Shengkun; Wang, Xu] Chinese Acad Forestry, Res Inst Trop Forestry, Guangzhou, Guangdong, Peoples R China. [Li, Changzhu] Hunan Acad Forestry, Changsha, Hunan, Peoples R China. [Wang, Mingyu] Chinese Acad Forestry, Inst Forest Ecol Environm & Protect, Beijing, Peoples R China. [Duan, Aiguo] Chinese Acad Forestry, Res Inst Forestry, Beijing, Peoples R China. RP Gu, LH (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Bldg 1509, Oak Ridge, TN 37831 USA. EM lianhong-gu@ornl.gov RI Gu, Lianhong/H-8241-2014 OI Gu, Lianhong/0000-0001-5756-8738 FU Chinese Academy of Forestry [CAFYBB2008006, RISF060701]; NASA [NNG09HP121]; U.S. Department of Energy (DOE), Climate and Environmental Sciences Division; U.S. Department of Energy [DE-AC05-00OR22725] FX We thank Drs. Q. Lu, Y. D. Wang, G. R. Yu, Y. X. Wei, G. F. Shao, C. S. Li, R. D. Davis, S. Yang, X. B. Zeng, J. G. "Jack" Liu, S. G. Pallardy, D. Kaiser, X. Y. Shi, J. F. Mao, R. Cook, V. Dale, P. J. Hanson, and researchers in the long-term ecological research stations at Nanling, Dagangshan, and Qianyanzhou and in Hunan Academy of Forestry for their assistance in the research and for their comments. Field study was sponsored by the Chinese Academy of Forestry (Grants CAFYBB2008006 and RISF060701). The study was initiated during a trip to China by L. Gu, sponsored by NASA Grant NNG09HP121. Gu carried out the research and writing of the paper afterward with support from the U.S. Department of Energy (DOE), Office of Science, Biological and Environmental Research Program, Climate and Environmental Sciences Division. ORNL is managed by UT-Battelle, LLC, for the U.S. Department of Energy under Contract DE-AC05-00OR22725. NR 52 TC 48 Z9 58 U1 7 U2 33 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0003-0007 J9 B AM METEOROL SOC JI Bull. Amer. Meteorol. Soc. PD JAN PY 2011 VL 92 IS 1 BP 47 EP + DI 10.1175/2010BAMS2857.1 PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 729OD UT WOS:000287959200012 ER PT S AU Xu, TF AF Xu, Tianfu BE Wang, YX Ge, S Hill, MC Zheng, CM TI Validation of reactive transport models for CO(2) geological sequestration using TOUGHREACT SO CALIBRATION AND RELIABILITY IN GROUNDWATER MODELLING: MANAGING GROUNDWATER AND THE ENVIRONMENT SE IAHS Publication LA English DT Proceedings Paper CT 7th International Conference on Calibration and Reliability in Groundwater Modeling CY SEP 20-23, 2009 CL Wuhan, PEOPLES R CHINA SP China Univ Geosci, China Geol Survey, Xian Ctr Geol Survey, Natl Nat Sci Fdn China, Int Res Ctr Karst, Int Commiss Groundwater DE CO(2) geological sequestration; reactive transport modelling; model validation; groundwater quality; mineral trapping ID BRINE PILOT; SIMULATION; SANDSTONE; AQUIFERS; STORAGE; TEXAS; SITE; USA AB Geological sequestration of carbon dioxide (CO(2)) is considered as one way to reduce its release to the atmosphere, and as an essential first step in the control of global warming. Reactive transport modelling can solve many problems and answer questions related to CO(2) geological sequestration. In this paper, ways to validate reactive transport models for short-term changes in groundwater chemistry, and long-term fate of injected CO(2) are discussed. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Xu, TF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM tianfu_xu@lbl.gov NR 13 TC 0 Z9 0 U1 0 U2 2 PU INT ASSOC HYDROLOGICAL SCIENCES PI WALLINGFORD PA INST OF HYDROLOGY, WALLINGFORD OX10 8BB, ENGLAND SN 0144-7815 BN 978-1-907161-15-5 J9 IAHS-AISH P PY 2011 VL 341 BP 235 EP 238 PG 4 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA BYC87 UT WOS:000298024200037 ER PT S AU Zhou, QL Birkholzer, JT AF Zhou, Quanlin Birkholzer, Jens T. BE Wang, YX Ge, S Hill, MC Zheng, CM TI Modelling basin- and plume-scale processes of CO(2) storage: a full-scale deployment scenario in the Illinois Basin SO CALIBRATION AND RELIABILITY IN GROUNDWATER MODELLING: MANAGING GROUNDWATER AND THE ENVIRONMENT SE IAHS Publication LA English DT Proceedings Paper CT 7th International Conference on Calibration and Reliability in Groundwater Modeling CY SEP 20-23, 2009 CL Wuhan, PEOPLES R CHINA SP China Univ Geosci, China Geol Survey, Xian Ctr Geol Survey, Natl Nat Sci Fdn China, Int Res Ctr Karst, Int Commiss Groundwater DE CO(2) storage; groundwater modelling; environmental impact; geological sequestration AB A basin-scale multiphase flow model was developed to assess the impact or geological carbon sequestration (GCS) in the deep saline Illinois Basin on groundwater resources in northern Illinois, USA. The model covered the Mt Simon Sandstone as storage formation and the overlying Eau Claire aquitard as caprock. A hypothetical scenario, with 20 storage sites in a most suitable core injection area and an annual rate of five million tonnes of CO(2) for injection over 50 years at each site, was employed. The integrated modelling of basin-scale groundwater flow and of two-phase CO(2) brine flow within CO(2) plumes was conducted using the parallel TOUGH2/ECO2N simulator and a 3-D unstructured mesh of 1.25 million grid-blocks with local refinement. Simulation results indicate various favourable conditions for sale storage of large volumes of CO(2) in Mt Simon, including a deep high-permeability and high-porosity arkosic unit used for CO(2) injection, and secondary seals in Mt Simon for significant retardation of upward CO(2) migration. The simulated CO(2) plume behaviour is supported by observations in natural gas storage fields in the basin, as an analog to GCS. The simulation results also indicate that: (I) significant pressure build-up (similar to 35 bar) in the core injection area is produced, but still ensuring eaprock geomechanical integrity, (2) moderate pressure build-up (as high as 1 bar) occurs in northern Illinois and might have an impact on brine intrusion into shallow freshwater aquifers, and (3) no direct impact of brine migration within the updip storage formation in northern Illinois. In comparison, the basin-scale environmental impact of GCS is less significant than that of the long-term intensive groundwater extraction from overlying freshwater aquifers in the metro-Chicago region. C1 [Zhou, Quanlin; Birkholzer, Jens T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Zhou, QL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM qzhou@lbl.gov RI Birkholzer, Jens/C-6783-2011 OI Birkholzer, Jens/0000-0002-7989-1912 NR 3 TC 0 Z9 0 U1 0 U2 2 PU INT ASSOC HYDROLOGICAL SCIENCES PI WALLINGFORD PA INST OF HYDROLOGY, WALLINGFORD OX10 8BB, ENGLAND SN 0144-7815 BN 978-1-907161-15-5 J9 IAHS-AISH P PY 2011 VL 341 BP 239 EP 244 PG 6 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA BYC87 UT WOS:000298024200038 ER PT J AU Burchell, TD Pappano, PJ Strizak, JP AF Burchell, T. D. Pappano, P. J. Strizak, J. P. TI A study of the annealing behavior of neutron irradiated graphite SO CARBON LA English DT Article ID DIMENSIONAL CHANGES; DAMAGE AB Recycle is being considered as a waste mitigation option for irradiated graphite from gas cooled reactors Thermal annealing was performed on irradiated graphite samples to establish what fraction of in crystal (displacement damage) and ex-crystal (pore generation) damage could be recovered The sample dimensions and electrical resistivity were measured after isochronal annealing at 500, 1000, 1500, and 2000 C Sample dimensions were unaffected by annealing Some fraction of the resistivity was non-recoverable at 2000 C, this behavior which was attributed to (a) structural changes resulting from pore generation (also causing dimensions to be unaffected by annealing) or (b) defect structures in irradiated graphite that persist even at an annealing temperature of 2000 C The resistivity annealing behavior was different in low irradiation temperature samples, T(irr) < similar to 400 degrees C and high irradiation temperature samples T(irr) > similar to 400 degrees C, which indicated defect structures established during irradiation were different in these two temperature regimes Moreover, the extent of recovery was much greater in the specimens with higher irradiation temperatures, and was small for lower dose-low temperature specimens Evidently, some in crystal defects that scatter or trap electrons are still present in the crystal lattice after annealing and their tenacity depends upon the irradiation temperature and accumulated neutron dose Published by Elsevier Ltd C1 [Burchell, T. D.; Pappano, P. J.; Strizak, J. P.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Burchell, TD (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, POB 2008, Oak Ridge, TN 37831 USA. RI Burchell, Tim/E-6566-2017 OI Burchell, Tim/0000-0003-1436-1192 FU US Department of Energy, Office of Nuclear Energy Science and Technology [DE-AC05-00OR22725] FX This work was carried out for the Deep Burn Project of the US Department of Energy, Office of Nuclear Energy Science and Technology under contract DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed by UT-Battelle, LLC Use of the High Flux Isotope Reactor at the Oak Ridge National Laboratory was supported by the US Department of Energy NR 22 TC 5 Z9 5 U1 1 U2 13 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 J9 CARBON JI Carbon PD JAN PY 2011 VL 49 IS 1 BP 3 EP 10 DI 10.1016/j.carbon.2010.08.026 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 690CJ UT WOS:000284977500002 ER PT B AU Al-Fattah, SM Barghouty, MF Bureau, G Dabbousi, BO Fillacier, S Le Thiez, P McQuale, C Munier, G Royer-Adnot, J Duncan, I Kalaydjian, F Nicot, JP Panek, J Socolow, R AF Al-Fattah, Saud M. Barghouty, Murad F. Bureau, Gaelle Dabbousi, Bashir O. Fillacier, Simon Le Thiez, Pierre McQuale, Cameron Munier, Gilles Royer-Adnot, Jonathan Duncan, Ian Kalaydjian, Francois Nicot, Jean-Philippe Panek, John Socolow, Robert GP Lionbridge Brussels Saudi Aramco, Publ Relat TI Why CSS? SO CARBON CAPTURE AND STORAGE: TECHNOLOGIES, POLICIES, ECONOMICS, AND IMPLEMENTATION STRATEGIES LA English DT Editorial Material; Book Chapter C1 [Al-Fattah, Saud M.; Barghouty, Murad F.; Dabbousi, Bashir O.] King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. [Bureau, Gaelle; Fillacier, Simon; Le Thiez, Pierre; McQuale, Cameron; Munier, Gilles; Royer-Adnot, Jonathan] Geogreen, Riyadh, Saudi Arabia. [Duncan, Ian; Nicot, Jean-Philippe] Univ Texas Austin, Austin, TX 78712 USA. [Kalaydjian, Francois] IFP Energies Nouvelles, Paris, France. [Panek, John] US DOE, Washington, DC 20585 USA. [Socolow, Robert] Princeton Univ, Princeton, NJ 08544 USA. RP Al-Fattah, SM (reprint author), King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4665-1274-0; 978-0-415-62084-0 PY 2011 BP 1 EP 2 PG 2 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA BD7OF UT WOS:000363383400003 ER PT B AU Al-Fattah, SM Barghouty, MF Bureau, G Dabbousi, BO Fillacier, S Le Thiez, P McQuale, C Munier, G Royer-Adnot, J Duncan, I Kalaydjian, F Nicot, JP Panek, J Socolow, R AF Al-Fattah, Saud M. Barghouty, Murad F. Bureau, Gaelle Dabbousi, Bashir O. Fillacier, Simon Le Thiez, Pierre McQuale, Cameron Munier, Gilles Royer-Adnot, Jonathan Duncan, Ian Kalaydjian, Francois Nicot, Jean-Philippe Panek, John Socolow, Robert GP Lionbridge Brussels Saudi Aramco, Publ Relat TI CCS in a Global Context SO CARBON CAPTURE AND STORAGE: TECHNOLOGIES, POLICIES, ECONOMICS, AND IMPLEMENTATION STRATEGIES LA English DT Article; Book Chapter C1 [Al-Fattah, Saud M.; Barghouty, Murad F.; Dabbousi, Bashir O.] King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. [Bureau, Gaelle; Fillacier, Simon; Le Thiez, Pierre; McQuale, Cameron; Munier, Gilles; Royer-Adnot, Jonathan] Geogreen, Riyadh, Saudi Arabia. [Duncan, Ian; Nicot, Jean-Philippe] Univ Texas Austin, Austin, TX 78712 USA. [Kalaydjian, Francois] IFP Energies Nouvelles, Paris, France. [Panek, John] US DOE, Washington, DC 20585 USA. [Socolow, Robert] Princeton Univ, Princeton, NJ 08544 USA. RP Al-Fattah, SM (reprint author), King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. NR 44 TC 1 Z9 1 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4665-1274-0; 978-0-415-62084-0 PY 2011 BP 3 EP 59 PG 57 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA BD7OF UT WOS:000363383400004 ER PT B AU Al-Fattah, SM Barghouty, MF Bureau, G Dabbousi, BO Fillacier, S Le Thiez, P McQuale, C Munier, G Royer-Adnot, J Duncan, I Kalaydjian, F Nicot, JP Panek, J Socolow, R AF Al-Fattah, Saud M. Barghouty, Murad F. Bureau, Gaelle Dabbousi, Bashir O. Fillacier, Simon Le Thiez, Pierre McQuale, Cameron Munier, Gilles Royer-Adnot, Jonathan Duncan, Ian Kalaydjian, Francois Nicot, Jean-Philippe Panek, John Socolow, Robert GP Lionbridge Brussels Saudi Aramco, Publ Relat TI Carbon Capture and Storage: Technologies, Policies, Economics, and Implementation Strategies Executive Summary SO CARBON CAPTURE AND STORAGE: TECHNOLOGIES, POLICIES, ECONOMICS, AND IMPLEMENTATION STRATEGIES LA English DT Editorial Material; Book Chapter C1 [Al-Fattah, Saud M.; Barghouty, Murad F.; Dabbousi, Bashir O.] King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. [Bureau, Gaelle; Fillacier, Simon; Le Thiez, Pierre; McQuale, Cameron; Munier, Gilles; Royer-Adnot, Jonathan] Geogreen, Riyadh, Saudi Arabia. [Duncan, Ian; Nicot, Jean-Philippe] Univ Texas Austin, Austin, TX 78712 USA. [Kalaydjian, Francois] IFP Energies Nouvelles, Paris, France. [Panek, John] US DOE, Washington, DC 20585 USA. [Socolow, Robert] Princeton Univ, Princeton, NJ 08544 USA. RP Al-Fattah, SM (reprint author), King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4665-1274-0; 978-0-415-62084-0 PY 2011 BP XV EP XVIII PG 4 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA BD7OF UT WOS:000363383400001 ER PT B AU Al-Fattah, SM Barghouty, MF Bureau, G Dabbousi, BO Fillacier, S Le Thiez, P McQuale, C Munier, G Royer-Adnot, J Duncan, I Kalaydjian, F Nicot, JP Panek, J Socolow, R AF Al-Fattah, Saud M. Barghouty, Murad F. Bureau, Gaelle Dabbousi, Bashir O. Fillacier, Simon Le Thiez, Pierre McQuale, Cameron Munier, Gilles Royer-Adnot, Jonathan Duncan, Ian Kalaydjian, Francois Nicot, Jean-Philippe Panek, John Socolow, Robert GP Lionbridge Brussels Saudi Aramco, Publ Relat TI Carbon Capture and Storage: Technologies, Policies, Economics, and Implementation Strategies Foreword SO CARBON CAPTURE AND STORAGE: TECHNOLOGIES, POLICIES, ECONOMICS, AND IMPLEMENTATION STRATEGIES LA English DT Editorial Material; Book Chapter C1 [Al-Fattah, Saud M.; Barghouty, Murad F.; Dabbousi, Bashir O.] King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. [Bureau, Gaelle; Fillacier, Simon; Le Thiez, Pierre; McQuale, Cameron; Munier, Gilles; Royer-Adnot, Jonathan] Geogreen, Riyadh, Saudi Arabia. [Duncan, Ian; Nicot, Jean-Philippe] Univ Texas Austin, Austin, TX 78712 USA. [Kalaydjian, Francois] IFP Energies Nouvelles, Paris, France. [Panek, John] US DOE, Washington, DC 20585 USA. [Socolow, Robert] Princeton Univ, Princeton, NJ 08544 USA. RP Al-Fattah, SM (reprint author), King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4665-1274-0; 978-0-415-62084-0 PY 2011 BP XIX EP XXII PG 4 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA BD7OF UT WOS:000363383400002 ER PT B AU Al-Fattah, SM Barghouty, MF Bureau, G Dabbousi, BO Fillacier, S Le Thiez, P McQuale, C Munier, G Royer-Adnot, J Duncan, I Kalaydjian, F Nicot, JP Panek, J Socolow, R AF Al-Fattah, Saud M. Barghouty, Murad F. Bureau, Gaelle Dabbousi, Bashir O. Fillacier, Simon Le Thiez, Pierre McQuale, Cameron Munier, Gilles Royer-Adnot, Jonathan Duncan, Ian Kalaydjian, Francois Nicot, Jean-Philippe Panek, John Socolow, Robert GP Lionbridge Brussels Saudi Aramco, Publ Relat TI CCS Deployment Status, Regional Applicability, and Stakeholders SO CARBON CAPTURE AND STORAGE: TECHNOLOGIES, POLICIES, ECONOMICS, AND IMPLEMENTATION STRATEGIES LA English DT Article; Book Chapter AB This chapter provides information about global CCS deployment projects, existing or planned, with the goal of exploring how global efforts coincide with emissions-reduction needs, as outlined by groups such as the UNFCCC, the G8, and the IEA (see Chapter 1). On a regional scale, we discuss the progress that has been made relative to predictions of global deployment based on the IEA Blue Map. Throughout the chapter we explore the roles of various CCS stakeholder organizations, starting with international actors and moving down through regional, national, and local levels. C1 [Al-Fattah, Saud M.; Barghouty, Murad F.; Dabbousi, Bashir O.] King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. [Bureau, Gaelle; Fillacier, Simon; Le Thiez, Pierre; McQuale, Cameron; Munier, Gilles; Royer-Adnot, Jonathan] Geogreen, Riyadh, Saudi Arabia. [Duncan, Ian; Nicot, Jean-Philippe] Univ Texas Austin, Austin, TX 78712 USA. [Kalaydjian, Francois] IFP Energies Nouvelles, Paris, France. [Panek, John] US DOE, Washington, DC 20585 USA. [Socolow, Robert] Princeton Univ, Princeton, NJ 08544 USA. RP Al-Fattah, SM (reprint author), King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. NR 11 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4665-1274-0; 978-0-415-62084-0 PY 2011 BP 61 EP 106 PG 46 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA BD7OF UT WOS:000363383400005 ER PT B AU Al-Fattah, SM Barghouty, MF Bureau, G Dabbousi, BO Fillacier, S Le Thiez, P McQuale, C Munier, G Royer-Adnot, J Duncan, I Kalaydjian, F Nicot, JP Panek, J Socolow, R AF Al-Fattah, Saud M. Barghouty, Murad F. Bureau, Gaelle Dabbousi, Bashir O. Fillacier, Simon Le Thiez, Pierre McQuale, Cameron Munier, Gilles Royer-Adnot, Jonathan Duncan, Ian Kalaydjian, Francois Nicot, Jean-Philippe Panek, John Socolow, Robert GP Lionbridge Brussels Saudi Aramco, Publ Relat TI Technical Description and Operability of the CCS Chain SO CARBON CAPTURE AND STORAGE: TECHNOLOGIES, POLICIES, ECONOMICS, AND IMPLEMENTATION STRATEGIES LA English DT Editorial Material; Book Chapter C1 [Al-Fattah, Saud M.; Barghouty, Murad F.; Dabbousi, Bashir O.] King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. [Bureau, Gaelle; Fillacier, Simon; Le Thiez, Pierre; McQuale, Cameron; Munier, Gilles; Royer-Adnot, Jonathan] Geogreen, Riyadh, Saudi Arabia. [Duncan, Ian; Nicot, Jean-Philippe] Univ Texas Austin, Austin, TX 78712 USA. [Kalaydjian, Francois] IFP Energies Nouvelles, Paris, France. [Panek, John] US DOE, Washington, DC 20585 USA. [Socolow, Robert] Princeton Univ, Princeton, NJ 08544 USA. RP Al-Fattah, SM (reprint author), King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4665-1274-0; 978-0-415-62084-0 PY 2011 BP 107 EP 107 PG 1 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA BD7OF UT WOS:000363383400006 ER PT B AU Al-Fattah, SM Barghouty, MF Bureau, G Dabbousi, BO Fillacier, S Le Thiez, P McQuale, C Munier, G Royer-Adnot, J Duncan, I Kalaydjian, F Nicot, JP Panek, J Socolow, R AF Al-Fattah, Saud M. Barghouty, Murad F. Bureau, Gaelle Dabbousi, Bashir O. Fillacier, Simon Le Thiez, Pierre McQuale, Cameron Munier, Gilles Royer-Adnot, Jonathan Duncan, Ian Kalaydjian, Francois Nicot, Jean-Philippe Panek, John Socolow, Robert GP Lionbridge Brussels Saudi Aramco, Publ Relat TI CO2 Capture and Separation SO CARBON CAPTURE AND STORAGE: TECHNOLOGIES, POLICIES, ECONOMICS, AND IMPLEMENTATION STRATEGIES LA English DT Article; Book Chapter AB The present chapter does not provide an exhaustive description of existing CO2 capture technologies but is intended to guide the reader through the challenges of implementing those technologies and their applications in current and future contexts (development status, possible improvements). The chapter is divided into five sections: Description of industrial processes that emit CO2 that are potentially addressable with CCS Main routes for capturing CO2 Processes by which CO2 can be captured today Combustion processes to simplify CO2 separation Challenges adoption C1 [Al-Fattah, Saud M.; Barghouty, Murad F.; Dabbousi, Bashir O.] King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. [Bureau, Gaelle; Fillacier, Simon; Le Thiez, Pierre; McQuale, Cameron; Munier, Gilles; Royer-Adnot, Jonathan] Geogreen, Riyadh, Saudi Arabia. [Duncan, Ian; Nicot, Jean-Philippe] Univ Texas Austin, Austin, TX 78712 USA. [Kalaydjian, Francois] IFP Energies Nouvelles, Paris, France. [Panek, John] US DOE, Washington, DC 20585 USA. [Socolow, Robert] Princeton Univ, Princeton, NJ 08544 USA. RP Al-Fattah, SM (reprint author), King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. NR 19 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4665-1274-0; 978-0-415-62084-0 PY 2011 BP 109 EP 137 PG 29 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA BD7OF UT WOS:000363383400007 ER PT B AU Al-Fattah, SM Barghouty, MF Bureau, G Dabbousi, BO Fillacier, S Le Thiez, P McQuale, C Munier, G Royer-Adnot, J Duncan, I Kalaydjian, F Nicot, JP Panek, J Socolow, R AF Al-Fattah, Saud M. Barghouty, Murad F. Bureau, Gaelle Dabbousi, Bashir O. Fillacier, Simon Le Thiez, Pierre McQuale, Cameron Munier, Gilles Royer-Adnot, Jonathan Duncan, Ian Kalaydjian, Francois Nicot, Jean-Philippe Panek, John Socolow, Robert GP Lionbridge Brussels Saudi Aramco, Publ Relat TI CO2 Transport Systems SO CARBON CAPTURE AND STORAGE: TECHNOLOGIES, POLICIES, ECONOMICS, AND IMPLEMENTATION STRATEGIES LA English DT Article; Book Chapter AB Once CO2 has been captured, it must be conditioned, compressed, and transported to a storage site. Despite the apparent simplicity of connecting a source to a sink, developing a CO2 export system is a complex issue. Transport systems depend on geographical constraints, and geopolitical and economic conditions, and they have to be studied on an individual basis. They must also be flexible enough to accommodate an increase in CO2 emissions captured over time and potential changes in the end result of CO2 capture (storage in deep saline aquifers or depleted fields, EOR, other industrial use, or a combination of options). The current chapter describes the primary technical issues and key drivers for various forms of CO2 transport. The elements of future infrastructure deployment are also discussed. C1 [Al-Fattah, Saud M.; Barghouty, Murad F.; Dabbousi, Bashir O.] King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. [Bureau, Gaelle; Fillacier, Simon; Le Thiez, Pierre; McQuale, Cameron; Munier, Gilles; Royer-Adnot, Jonathan] Geogreen, Riyadh, Saudi Arabia. [Duncan, Ian; Nicot, Jean-Philippe] Univ Texas Austin, Austin, TX 78712 USA. [Kalaydjian, Francois] IFP Energies Nouvelles, Paris, France. [Panek, John] US DOE, Washington, DC 20585 USA. [Socolow, Robert] Princeton Univ, Princeton, NJ 08544 USA. RP Al-Fattah, SM (reprint author), King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. NR 10 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4665-1274-0; 978-0-415-62084-0 PY 2011 BP 139 EP 157 PG 19 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA BD7OF UT WOS:000363383400008 ER PT B AU Al-Fattah, SM Barghouty, MF Bureau, G Dabbousi, BO Fillacier, S Le Thiez, P McQuale, C Munier, G Royer-Adnot, J Duncan, I Kalaydjian, F Nicot, JP Panek, J Socolow, R AF Al-Fattah, Saud M. Barghouty, Murad F. Bureau, Gaelle Dabbousi, Bashir O. Fillacier, Simon Le Thiez, Pierre McQuale, Cameron Munier, Gilles Royer-Adnot, Jonathan Duncan, Ian Kalaydjian, Francois Nicot, Jean-Philippe Panek, John Socolow, Robert GP Lionbridge Brussels Saudi Aramco, Publ Relat TI CO2 Geological Storage SO CARBON CAPTURE AND STORAGE: TECHNOLOGIES, POLICIES, ECONOMICS, AND IMPLEMENTATION STRATEGIES LA English DT Article; Book Chapter ID CARBON-DIOXIDE; NORTH-SEA; SEQUESTRATION; AQUIFERS; DESIGN; BASIN; MODEL AB The present chapter describes the criteria for long-term subsurface carbon dioxide storage. Particular emphasis is given to injection in porous media, especially for CO2-EOR and deep saline aquifers, which are the most likely technologies for large-scale deployment in the short to medium term. C1 [Al-Fattah, Saud M.; Barghouty, Murad F.; Dabbousi, Bashir O.] King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. [Bureau, Gaelle; Fillacier, Simon; Le Thiez, Pierre; McQuale, Cameron; Munier, Gilles; Royer-Adnot, Jonathan] Geogreen, Riyadh, Saudi Arabia. [Duncan, Ian; Nicot, Jean-Philippe] Univ Texas Austin, Austin, TX 78712 USA. [Kalaydjian, Francois] IFP Energies Nouvelles, Paris, France. [Panek, John] US DOE, Washington, DC 20585 USA. [Socolow, Robert] Princeton Univ, Princeton, NJ 08544 USA. RP Al-Fattah, SM (reprint author), King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. NR 49 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4665-1274-0; 978-0-415-62084-0 PY 2011 BP 159 EP 231 PG 73 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA BD7OF UT WOS:000363383400009 ER PT B AU Al-Fattah, SM Barghouty, MF Bureau, G Dabbousi, BO Fillacier, S Le Thiez, P McQuale, C Munier, G Royer-Adnot, J Duncan, I Kalaydjian, F Nicot, JP Panek, J Socolow, R AF Al-Fattah, Saud M. Barghouty, Murad F. Bureau, Gaelle Dabbousi, Bashir O. Fillacier, Simon Le Thiez, Pierre McQuale, Cameron Munier, Gilles Royer-Adnot, Jonathan Duncan, Ian Kalaydjian, Francois Nicot, Jean-Philippe Panek, John Socolow, Robert GP Lionbridge Brussels Saudi Aramco, Publ Relat TI Deployment Drivers SO CARBON CAPTURE AND STORAGE: TECHNOLOGIES, POLICIES, ECONOMICS, AND IMPLEMENTATION STRATEGIES LA English DT Editorial Material; Book Chapter C1 [Al-Fattah, Saud M.; Barghouty, Murad F.; Dabbousi, Bashir O.] King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. [Bureau, Gaelle; Fillacier, Simon; Le Thiez, Pierre; McQuale, Cameron; Munier, Gilles; Royer-Adnot, Jonathan] Geogreen, Riyadh, Saudi Arabia. [Duncan, Ian; Nicot, Jean-Philippe] Univ Texas Austin, Austin, TX 78712 USA. [Kalaydjian, Francois] IFP Energies Nouvelles, Paris, France. [Panek, John] US DOE, Washington, DC 20585 USA. [Socolow, Robert] Princeton Univ, Princeton, NJ 08544 USA. RP Al-Fattah, SM (reprint author), King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4665-1274-0; 978-0-415-62084-0 PY 2011 BP 233 EP 233 PG 1 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA BD7OF UT WOS:000363383400010 ER PT B AU Al-Fattah, SM Barghouty, MF Bureau, G Dabbousi, BO Fillacier, S Le Thiez, P McQuale, C Munier, G Royer-Adnot, J Duncan, I Kalaydjian, F Nicot, JP Panek, J Socolow, R AF Al-Fattah, Saud M. Barghouty, Murad F. Bureau, Gaelle Dabbousi, Bashir O. Fillacier, Simon Le Thiez, Pierre McQuale, Cameron Munier, Gilles Royer-Adnot, Jonathan Duncan, Ian Kalaydjian, Francois Nicot, Jean-Philippe Panek, John Socolow, Robert GP Lionbridge Brussels Saudi Aramco, Publ Relat TI CCS Regulatory Framework SO CARBON CAPTURE AND STORAGE: TECHNOLOGIES, POLICIES, ECONOMICS, AND IMPLEMENTATION STRATEGIES LA English DT Article; Book Chapter AB This chapter describes the regulatory issues affecting GHG emissions mitigation incentives (such as emissions regulations) and specific regulations applicable to CCS and storage development (from characterization to post-closure stewardship). We analyze key mechanisms that will apply to market-driven CCS deployment. C1 [Al-Fattah, Saud M.; Barghouty, Murad F.; Dabbousi, Bashir O.] King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. [Bureau, Gaelle; Fillacier, Simon; Le Thiez, Pierre; McQuale, Cameron; Munier, Gilles; Royer-Adnot, Jonathan] Geogreen, Riyadh, Saudi Arabia. [Duncan, Ian; Nicot, Jean-Philippe] Univ Texas Austin, Austin, TX 78712 USA. [Kalaydjian, Francois] IFP Energies Nouvelles, Paris, France. [Panek, John] US DOE, Washington, DC 20585 USA. [Socolow, Robert] Princeton Univ, Princeton, NJ 08544 USA. RP Al-Fattah, SM (reprint author), King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. NR 8 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4665-1274-0; 978-0-415-62084-0 PY 2011 BP 235 EP 275 PG 41 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA BD7OF UT WOS:000363383400011 ER PT B AU Al-Fattah, SM Barghouty, MF Bureau, G Dabbousi, BO Fillacier, S Le Thiez, P McQuale, C Munier, G Royer-Adnot, J Duncan, I Kalaydjian, F Nicot, JP Panek, J Socolow, R AF Al-Fattah, Saud M. Barghouty, Murad F. Bureau, Gaelle Dabbousi, Bashir O. Fillacier, Simon Le Thiez, Pierre McQuale, Cameron Munier, Gilles Royer-Adnot, Jonathan Duncan, Ian Kalaydjian, Francois Nicot, Jean-Philippe Panek, John Socolow, Robert GP Lionbridge Brussels Saudi Aramco, Publ Relat TI Economics of the CCS Chain SO CARBON CAPTURE AND STORAGE: TECHNOLOGIES, POLICIES, ECONOMICS, AND IMPLEMENTATION STRATEGIES LA English DT Article; Book Chapter AB For CCS to be effective, cost concerns must be addressed. In Europe and other OECD economies, the price of CO2 is an issue. A project developer must determine if the CCS project cost (capital, operating, and financial) will be lower than the CO2 price over the project lifetime. CCS is a relatively new technology with very poor feedback from industrial applications, which creates uncertainty when assessing cost, especially for capture. Additionally, risks associated with uncertainties are intimately linked with regulations that are being established for emissions (ETS in the EU for instance) and storage facility operation and post-closure coverage of liabilities. In this chapter we review costs, their associated uncertainties and risks, project economics, and business models (both for the CCS chain operator and for CO2 emitters) based on the following milestones: Industrial size projects launched before 2020 (early adopters). Industrial size projects launched after 2020 (followers). This time horizon makes sense given that: 1. The number of projects to be launched before 2020 and their financing mechanisms (Blue Map scenario-please refer to Figure 2.7). 2. The maturity of capture technologies, especially their energy impact, which translates into current operating expenditures. 3. The remaining regulatory issues that must be resolved before industrial deployment can take place. This chapter discusses carbon price concerns, cost elements of the CCS chain, potential business models for CCS operators, the impact of CCS costs on business models, project financing, pooling strategies, and whether early adopters or followers of CCS will make the right choice. C1 [Al-Fattah, Saud M.; Barghouty, Murad F.; Dabbousi, Bashir O.] King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. [Bureau, Gaelle; Fillacier, Simon; Le Thiez, Pierre; McQuale, Cameron; Munier, Gilles; Royer-Adnot, Jonathan] Geogreen, Riyadh, Saudi Arabia. [Duncan, Ian; Nicot, Jean-Philippe] Univ Texas Austin, Austin, TX 78712 USA. [Kalaydjian, Francois] IFP Energies Nouvelles, Paris, France. [Panek, John] US DOE, Washington, DC 20585 USA. [Socolow, Robert] Princeton Univ, Princeton, NJ 08544 USA. RP Al-Fattah, SM (reprint author), King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. NR 13 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4665-1274-0; 978-0-415-62084-0 PY 2011 BP 277 EP 313 PG 37 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA BD7OF UT WOS:000363383400012 ER PT B AU Al-Fattah, SM Barghouty, MF Bureau, G Dabbousi, BO Fillacier, S Le Thiez, P McQuale, C Munier, G Royer-Adnot, J Duncan, I Kalaydjian, F Nicot, JP Panek, J Socolow, R AF Al-Fattah, Saud M. Barghouty, Murad F. Bureau, Gaelle Dabbousi, Bashir O. Fillacier, Simon Le Thiez, Pierre McQuale, Cameron Munier, Gilles Royer-Adnot, Jonathan Duncan, Ian Kalaydjian, Francois Nicot, Jean-Philippe Panek, John Socolow, Robert GP Lionbridge Brussels Saudi Aramco, Publ Relat TI CCS Quality Standards-Challenges to Commercialization SO CARBON CAPTURE AND STORAGE: TECHNOLOGIES, POLICIES, ECONOMICS, AND IMPLEMENTATION STRATEGIES LA English DT Article; Book Chapter AB The deployment of technologies to capture, transport, and store CO2 (CCS) has considerable potential for positively affecting the global situation economically, socially, and environmentally. To realize the benefits from large-scale international deployment of CCS, it must be implemented thoughtfully and strategically. Furthermore, the costs and benefits of CCS must be addressed logically to allow comparison with realistic alternatives. The current chapter discusses the impact of CCS on global and local environments, societies, and economies, and highlights key areas where CCS performance can be evaluated to encourage risk assessment, maximize benefits, and promote communication among the various stakeholders. C1 [Al-Fattah, Saud M.; Barghouty, Murad F.; Dabbousi, Bashir O.] King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. [Bureau, Gaelle; Fillacier, Simon; Le Thiez, Pierre; McQuale, Cameron; Munier, Gilles; Royer-Adnot, Jonathan] Geogreen, Riyadh, Saudi Arabia. [Duncan, Ian; Nicot, Jean-Philippe] Univ Texas Austin, Austin, TX 78712 USA. [Kalaydjian, Francois] IFP Energies Nouvelles, Paris, France. [Panek, John] US DOE, Washington, DC 20585 USA. [Socolow, Robert] Princeton Univ, Princeton, NJ 08544 USA. RP Al-Fattah, SM (reprint author), King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. NR 14 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4665-1274-0; 978-0-415-62084-0 PY 2011 BP 315 EP 343 PG 29 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA BD7OF UT WOS:000363383400013 ER PT B AU Al-Fattah, SM Barghouty, MF Bureau, G Dabbousi, BO Fillacier, S Le Thiez, P McQuale, C Munier, G Royer-Adnot, J Duncan, I Kalaydjian, F Nicot, JP Panek, J Socolow, R AF Al-Fattah, Saud M. Barghouty, Murad F. Bureau, Gaelle Dabbousi, Bashir O. Fillacier, Simon Le Thiez, Pierre McQuale, Cameron Munier, Gilles Royer-Adnot, Jonathan Duncan, Ian Kalaydjian, Francois Nicot, Jean-Philippe Panek, John Socolow, Robert GP Lionbridge Brussels Saudi Aramco, Publ Relat TI Conclusion: A Pragmatic Way Forward SO CARBON CAPTURE AND STORAGE: TECHNOLOGIES, POLICIES, ECONOMICS, AND IMPLEMENTATION STRATEGIES LA English DT Editorial Material; Book Chapter C1 [Al-Fattah, Saud M.; Barghouty, Murad F.; Dabbousi, Bashir O.] King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. [Bureau, Gaelle; Fillacier, Simon; Le Thiez, Pierre; McQuale, Cameron; Munier, Gilles; Royer-Adnot, Jonathan] Geogreen, Riyadh, Saudi Arabia. [Duncan, Ian; Nicot, Jean-Philippe] Univ Texas Austin, Austin, TX 78712 USA. [Kalaydjian, Francois] IFP Energies Nouvelles, Paris, France. [Panek, John] US DOE, Washington, DC 20585 USA. [Socolow, Robert] Princeton Univ, Princeton, NJ 08544 USA. RP Al-Fattah, SM (reprint author), King Abdullah Petr Studies & Res Ctr, Riyadh, Saudi Arabia. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4665-1274-0; 978-0-415-62084-0 PY 2011 BP 345 EP 347 PG 3 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA BD7OF UT WOS:000363383400014 ER PT J AU Wang, WJ Murthy, NS AF Wang, Wenjie Murthy, N. Sanjeeva BE Yellampalli, S TI Characterization of Nanotube-Reinforced Polymer Composites SO CARBON NANOTUBES - POLYMER NANOCOMPOSITES LA English DT Article; Book Chapter ID WALLED CARBON NANOTUBES; POLARIZED RAMAN-SPECTROSCOPY; FIBERS; POLYACRYLONITRILE; DEFORMATION; MORPHOLOGY; NANOCOMPOSITES; STRENGTH; MODULUS; INTERFACES C1 [Wang, Wenjie] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Murthy, N. Sanjeeva] Rutgers State Univ, New Jersey Ctr Biomat, New Brunswick, NJ USA. RP Wang, WJ (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. NR 56 TC 0 Z9 0 U1 0 U2 0 PU INTECH EUROPE PI RIJEKA PA JANEZA TRDINE9, RIJEKA, 51000, CROATIA BN 978-953-307-498-6 PY 2011 BP 155 EP 172 D2 10.5772/979 PG 18 WC Nanoscience & Nanotechnology; Materials Science, Composites; Polymer Science SC Science & Technology - Other Topics; Materials Science; Polymer Science GA BG1OO UT WOS:000386937800009 ER PT J AU Zhao, GM Wang, J Ren, Y Beeli, P AF Zhao, Guo-meng Wang, Jun Ren, Yang Beeli, Pieder BE Yellampalli, S TI Giant Moment Enhancement of Magnetic Nanoparticles Embedded in Multi-Walled Carbon Nanotubes: Consistent with Ultrahigh Temperature Superconductivity SO CARBON NANOTUBES - POLYMER NANOCOMPOSITES LA English DT Article; Book Chapter ID HIGH-TC SUPERCONDUCTIVITY; ROOM-TEMPERATURE; DIRAC FERMIONS; GRAPHITE; FERROMAGNETISM; GRAPHENE; BEHAVIOR; CONTACT; POINT; FILMS C1 [Zhao, Guo-meng; Beeli, Pieder] Calif State Univ Los Angeles, Dept Phys & Astron, Los Angeles, CA 90032 USA. [Zhao, Guo-meng; Wang, Jun] Ningbo Univ, Dept Phys, Fac Sci, Ningbo, Zhejiang, Peoples R China. [Ren, Yang] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Zhao, GM (reprint author), Calif State Univ Los Angeles, Dept Phys & Astron, Los Angeles, CA 90032 USA. NR 55 TC 0 Z9 0 U1 0 U2 0 PU INTECH EUROPE PI RIJEKA PA JANEZA TRDINE9, RIJEKA, 51000, CROATIA BN 978-953-307-498-6 PY 2011 BP 331 EP 354 D2 10.5772/979 PG 24 WC Nanoscience & Nanotechnology; Materials Science, Composites; Polymer Science SC Science & Technology - Other Topics; Materials Science; Polymer Science GA BG1OO UT WOS:000386937800017 ER PT J AU Sigurdson, AJ Jones, IM Wei, QY Wu, XF Spitz, MR Stram, DA Gross, MD Huang, WY Wang, LE Gu, JA Thomas, CB Reding, DJ Hayes, RB Caporaso, NE AF Sigurdson, Alice J. Jones, Irene M. Wei, Qingyi Wu, Xifeng Spitz, Margaret R. Stram, Douglas A. Gross, Myron D. Huang, Wen-Yi Wang, Li-E Gu, Jian Thomas, Cynthia B. Reding, Douglas J. Hayes, Richard B. Caporaso, Neil E. TI Prospective analysis of DNA damage and repair markers of lung cancer risk from the Prostate, Lung, Colorectal and Ovarian (PLCO) Cancer Screening Trial SO CARCINOGENESIS LA English DT Article ID LYMPHOBLASTOID CELL-LINES; MUTAGEN SENSITIVITY; CHROMOSOMAL RADIOSENSITIVITY; MOLECULAR EPIDEMIOLOGY; ISOLATED LYMPHOCYTES; WHOLE-BLOOD; INDIVIDUALS; SUSCEPTIBILITY; BLEOMYCIN; CAPACITY AB Mutagen challenge and DNA repair assays have been used in case-control studies for nearly three decades to assess human cancer risk. The findings still engender controversy because blood was drawn after cancer diagnosis so the results may be biased, a type called 'reverse causation'. We therefore used Epstein-Barr virus-transformed lymphoblastoid cell lines established from prospectively collected peripheral blood samples to evaluate lung cancer risk in relation to three DNA repair assays: alkaline Comet assay, host cell reactivation (HCR) assay with the mutagen benzo[a]pyrene diol epoxide and the bleomycin mutagen sensitivity assay. Cases (n = 117) were diagnosed with lung cancer between 0.3 and 6 years after blood collection and controls (n = 117) were frequency matched on calendar year and age at blood collection, gender and smoking history; all races were included. Case and control status was unknown to laboratory investigators. In unconditional logistic regression analyses, statistically significantly increased lung cancer odds ratios (OR(adjusted)) were observed for bleomycin mutagen sensitivity as quartiles of chromatid breaks/cell [relative to the lowest quartile, OR = 1.2, 95% confidence interval (CI): 0.5-2.5; OR = 1.4,95% CI: 0.7-3.1; OR = 2.1,95% CI: 1.0-4.4, respectively, P(trend) = 0.04]. The magnitude of the association between the bleomycin assay and lung cancer risk was modest compared with those reported in previous lung cancer studies but was strengthened when we included only incident cases diagnosed more than a year after blood collection (P(trend) = 0.02), supporting the notion the assay may be a measure of cancer susceptibility. The Comet and HCR assays were unrelated to lung cancer risk. C1 [Sigurdson, Alice J.; Stram, Douglas A.] NCI, Radiat Epidemiol Branch, Div Canc Epidemiol & Genet, NIH,Dept Hlth & Human Serv, Bethesda, MD 20892 USA. [Jones, Irene M.; Thomas, Cynthia B.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Wei, Qingyi; Wu, Xifeng; Spitz, Margaret R.; Wang, Li-E; Gu, Jian] Univ Texas MD Anderson Canc Ctr, Dept Epidemiol, Houston, TX 77030 USA. [Gross, Myron D.] Univ Minnesota, Dept Lab Med & Pathol, Minneapolis, MN USA. [Huang, Wen-Yi; Hayes, Richard B.] NCI, Occupat & Environm Epidemiol Branch, Div Canc Epidemiol & Genet, Dept Hlth & Human Serv,NIH, Bethesda, MD 20892 USA. [Reding, Douglas J.] Marshfield Clin Fdn Med Res & Educ, Dept Oncol & Hematol, Marshfield, WI 54449 USA. [Hayes, Richard B.] NYU, Langone Med Ctr, Div Epidemiol, Dept Environm Med, New York, NY 10016 USA. [Caporaso, Neil E.] NCI, Genet Epidemiol Branch, Div Canc Epidemiol & Genet, Dept Hlth & Human Serv,NIH, Bethesda, MD 20892 USA. RP Sigurdson, AJ (reprint author), NCI, Radiat Epidemiol Branch, Div Canc Epidemiol & Genet, NIH,Dept Hlth & Human Serv, 6120 Execut Blvd,EPS 7060,MSC 7238, Bethesda, MD 20892 USA. EM sigurdsa@mail.nih.gov OI Hayes, Richard/0000-0002-0918-661X FU Division of Cancer Epidemiology and Genetics; Division of Cancer Prevention, National Cancer Institute, National Institutes of Health, Department of Health and Human Services; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344, Y1-CP-6010-02] FX This research was supported by the Intramural Research Program of the Division of Cancer Epidemiology and Genetics; by contracts from the Division of Cancer Prevention, National Cancer Institute, National Institutes of Health, Department of Health and Human Services; in part under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and Inter-Agency Agreement-Y1-CP-6010-02. NR 34 TC 14 Z9 16 U1 1 U2 9 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0143-3334 J9 CARCINOGENESIS JI Carcinogenesis PD JAN PY 2011 VL 32 IS 1 BP 69 EP 73 DI 10.1093/carcin/bgq204 PG 5 WC Oncology SC Oncology GA 707RF UT WOS:000286303000011 PM 20929901 ER PT J AU Oh, JE Clark, SM Monteiro, PJM AF Oh, Jae Eun Clark, Simon M. Monteiro, Paulo J. M. TI Does the Al substitution in C-S-H(I) change its mechanical property? SO CEMENT AND CONCRETE RESEARCH LA English DT Article DE Calcium silicate hydrate (C-S-H); X-ray diffraction; Elastic moduli; Mechanical properties; Alkali-activated cement ID C-S-H; ALKALI-ACTIVATED SLAG; NUCLEAR-MAGNETIC-RESONANCE; CALCIUM SILICATE HYDRATE; CEMENT-BASED MATERIALS; BLAST-FURNACE SLAG; ELASTIC PROPERTIES; CRYSTAL-STRUCTURE; HIGH-PRESSURE; MAS-NMR AB This study examines the influence of Al substitution for Si on the bulk modulus of calcium silicate hydrate I [C-S-H(I)], a structural analogue of C-S-H, by performing high-pressure synchrotron X-ray diffraction experiments in two C-S-H(l) samples: one a hydration product of alkali-activated slag and the other a synthetic C-S-H(I). The test result shows that not only the bulk modulus but also the incompressibility of the lattice parameters a, 6, and c of two C-S-H(I) samples are very similar to each other, regardless of the Al substitution. This result may be due to the four-coordinated configuration of the substituted Al. which makes the dreierketten silicate chains maintain the same arrangement after the substitution. (C) 2010 Published by Elsevier Ltd. C1 [Oh, Jae Eun; Monteiro, Paulo J. M.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Clark, Simon M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA USA. [Clark, Simon M.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Monteiro, PJM (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. EM monteiro@berkeley.edu RI Oh, Jae-Eun/F-8632-2011; Clark, Simon/B-2041-2013; OI Clark, Simon/0000-0002-7488-3438; Oh, Jae Eun/0000-0002-2318-3001 FU King Abdullah University of Science and Technology (KAUST) [KUS-l1-004021]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This publication was based on work supported in part by Award No. KUS-l1-004021, made by King Abdullah University of Science and Technology (KAUST). The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 39 TC 15 Z9 15 U1 3 U2 26 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-8846 J9 CEMENT CONCRETE RES JI Cem. Concr. Res. PD JAN PY 2011 VL 41 IS 1 BP 102 EP 106 DI 10.1016/j.cemconres.2010.09.010 PG 5 WC Construction & Building Technology; Materials Science, Multidisciplinary SC Construction & Building Technology; Materials Science GA 702ND UT WOS:000285900500011 ER PT J AU Oh, JE Moon, J Mancio, M Clark, SM Monteiro, PJM AF Oh, Jae Eun Moon, Juhyuk Mancio, Mauricio Clark, Simon M. Monteiro, Paulo J. M. TI Bulk modulus of basic sodalite, Na-8[AlSiO4](6)(OH)(2)center dot 2H(2)O, a possible zeolitic precursor in coal-fly-ash-based geopolymers SO CEMENT AND CONCRETE RESEARCH LA English DT Article DE Geopolymer; Fly ash; Basic sodalite; Bulk modulus; High pressure ID POWDER NEUTRON-DIFFRACTION; HIGH-PRESSURE; ALKALINE ACTIVATION; CRYSTAL-STRUCTURES; IR SPECTROSCOPY; SINGLE-CRYSTAL; MAS-NMR; X-RAY; TEMPERATURE; BEHAVIOR AB Synthetic basic sodalite, Na-8[AlSiO4](6)(OH)(2)center dot 2H(2)O, cubic, P43n, (also known as hydroxysodalite hydrate) was prepared by the alkaline activation of amorphous aluminosilicate glass, obtained from the phase separation of Class F fly ash. The sample was subjected to a process similar to geopolymerization, using high concentrations of a NaOH solution at 90 degrees C for 24 hours. Basic sodalite was chosen as a representative analogue of the zeolite precursor existing in Na-based Class F fly ash geopolymers. To determine its bulk modulus, high-pressure synchrotron X-ray powder diffraction was applied using a diamond anvil cell (DAC) up to a pressure of 4.5 GPa. A curve-fit with a truncated third-order Birch-Murnaghan equation of state with a fixed K'(o) = 4 to pressure-normalized volume data yielded the isothermal bulk modulus, K-o = 43 +/- 4 GPa, indicating that basic sodalite is more compressible than sodalite, possibly due to a difference in interactions between the framework host and the guest molecules. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Oh, Jae Eun; Moon, Juhyuk; Mancio, Mauricio; Monteiro, Paulo J. M.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Clark, Simon M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA USA. [Clark, Simon M.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Monteiro, PJM (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. EM monteiro@berkeley.edu RI Oh, Jae-Eun/F-8632-2011; Moon, Juhyuk/G-9388-2011; Moon, Juhyuk/B-7009-2016; Mancio, Mauricio/H-8246-2014; Clark, Simon/B-2041-2013; OI Moon, Juhyuk/0000-0002-7049-892X; Mancio, Mauricio/0000-0002-0736-7249; Clark, Simon/0000-0002-7488-3438; Oh, Jae Eun/0000-0002-2318-3001 FU King Abdullah University of Science and Technology (KAUST) [KUS-l1-004021]; NIST [60NANB10D014]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This publication was based on work supported in part by Award No. KUS-l1-004021 made by the King Abdullah University of Science and Technology (KAUST) and the by NIST Grant 60NANB10D014. The work for the Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 45 TC 10 Z9 10 U1 4 U2 16 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-8846 J9 CEMENT CONCRETE RES JI Cem. Concr. Res. PD JAN PY 2011 VL 41 IS 1 BP 107 EP 112 DI 10.1016/j.cemconres.2010.09.012 PG 6 WC Construction & Building Technology; Materials Science, Multidisciplinary SC Construction & Building Technology; Materials Science GA 702ND UT WOS:000285900500012 ER PT J AU Bernal, SA Provis, JL Rose, V de Gutierrez, RM AF Bernal, Susan A. Provis, John L. Rose, Volker Mejia de Gutierrez, Ruby TI Evolution of binder structure in sodium silicate-activated slag-metakaolin blends SO CEMENT & CONCRETE COMPOSITES LA English DT Article DE Alkali-activated slag; Metakaolin; Silicate modulus; Structural evolution; High-resolution X-ray diffraction ID BLAST-FURNACE SLAG; C-S-H; ALKALINE ACTIVATION; HYDRATION PRODUCTS; CALCIUM HYDROXIDE; CEMENTS; PASTES; GEL; GEOPOLYMERISATION; DEHYDROXYLATION AB Structural evolution in pastes produced from alkali silicate-activated granulated blast furnace slag (GBFS)/metakaolin (MK) blends is assessed. In the initial period of the reaction, the addition of MK leads to an increase in the total setting time, reduces the heat release, and affects the reaction mechanism by introduction of a large quantity of additional Al. This effect is more significant when an activating solution with a higher silicate modulus is used, and leads to a slight reduction in the final mechanical strength of mortars but a significant increase in setting time, which is valuable in the development of alkali-activated slag binders as these are known to sometimes harden more rapidly than is desirable. High-energy synchrotron X-ray diffractometry reveals that the main reaction products in alkali-activated GBFS/MK blends are segregated and partially crystalline calcium silicate hydrate and aluminosilicate phases, including a small component with a zeolitic (gismondine) structure. No hydrotalcite-type phases are observed in these samples, which are synthesized from a low-Mg slag. A secondary reaction product (Na-substituted C-S-H) is also identified in pastes activated with a modulus of solution of 2.0. Infrared spectroscopy carried out over a period of 180 days shows the development of the gel structure, with aluminum incorporation leading to an increase in the extent of crosslinking, and higher alkalinity giving a more depolymerized gel structure. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Bernal, Susan A.; Mejia de Gutierrez, Ruby] Univ Valle, CENM, Composite Mat Croup, Dept Mat Engn, Cali, Colombia. [Provis, John L.] Univ Melbourne, Dept Chem & Biomol Engn, Melbourne, Vic 3010, Australia. [Rose, Volker] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Bernal, SA (reprint author), Aarhus Univ, Dept Chem, Instrument Ctr Solid State NMR Spect, Langelandsgade 140, DK-8000 Aarhus C, Denmark. EM susana.bernal@gmail.com; jprovis@unimelb.edu.au RI Bernal, Susan /E-8938-2011; Provis, John/A-7631-2008; Rose, Volker/B-1103-2008; OI MEJIA DE GUTIERREZ, RUBY/0000-0002-5404-2738; Provis, John/0000-0003-3372-8922; Rose, Volker/0000-0002-9027-1052; Bernal, Susan A/0000-0002-9647-3106 FU Universidad del Valle (Colombia); Instituto Colombian para el Desarrollo de la Ciencia y Tecnologia "Francisco Jose de Caldas" (COLCIENCIAS); Centre of Excellence of Novel Materials (CENM); US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Australian Research Council (ARC) through the Particulate Fluids Processing Centre FX This study was sponsored by Universidad del Valle (Colombia), Instituto Colombian para el Desarrollo de la Ciencia y Tecnologia "Francisco Jose de Caldas" (COLCIENCIAS) and the Centre of Excellence of Novel Materials (CENM). Use of the Advanced Photon Source at Argonne National Laboratory was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The participation of JLP was funded by the Australian Research Council (ARC), including partial funding through the Particulate Fluids Processing Centre, a Special Research Centre of the ARC. NR 58 TC 106 Z9 113 U1 6 U2 58 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0958-9465 J9 CEMENT CONCRETE COMP JI Cem. Concr. Compos. PD JAN PY 2011 VL 33 IS 1 BP 46 EP 54 DI 10.1016/j.cemconcomp.2010.09.004 PG 9 WC Construction & Building Technology; Materials Science, Composites SC Construction & Building Technology; Materials Science GA 693ML UT WOS:000285228100006 ER PT S AU Takizawa, K Kakehashi, K Fukuda, T Kida, T Sawa, K Sumita, J Katoh, Y Snead, LL AF Takizawa, Kentaro Kakehashi, Kazuyuki Fukuda, Toshiaki Kida, Tohru Sawa, Kazuhiro Sumita, Junya Katoh, Yutai Snead, Lance L. BE Katoh, Y Fox, KM Lin, HT Belharouak, I Widjaja, S Singh, D TI R&D AND IRRADIATION PLANS FOR NEW NUCLEAR GRADE GRAPHITES FOR APPLICATION TO VHTR SO CERAMIC MATERIALS FOR ENERGY APPLICATIONS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 35th International Conference and Exposition on Advanced Ceramics and Composites CY JAN 23-28, 2011 CL Daytona Beach, FL SP Amer Ceram Soc, Engn Ceram Div, Amer Ceram Soc, Nucl & Environm Technol Div, Amer Ceram Soc AB Fine-grained isotropic graphite shows high strength making it a promising material for the graphite component of High Temperature Gas-cooled Reactor (HTGR) and Very High Temperature Reactor (VHTR). Service life of the graphite component is determined primarily by the residual stress after neutron irradiation in the reactor core. It is expected that development of new fine-grained isotropic nuclear grade graphite possessing higher strength will contribute toward added design margins and an extension of the service life of components, which likely improve the reactor economy very significantly. Tokai Carbon Co. LTD. has started the development of nuclear grade graphite having high strength for the graphite component of VHTR. As the start of evaluation to the application for VHTR, the evaluation based on Japanese draft standard for HTGR is advanced. Japanese draft standard demands as follows, (l) Guarantee a stable supply for long period, (2) Obtain the data for design, (3) Confirms stable features under high temperature and irradiation condition. The following conclusions were obtained. (1) To satisfy the requirement of stable supply, G347S and G458S grades was selected. These products showed excellent properties. (2) Obtaining the data is still on the way. However some obtained data showed excellent value. (3) It is planned to carry out the neutron irradiation tests using High Flux Isotope Reactor at Oak Ridge National Laboratory up to the neutron fluence of 30 dpa, and the irradiation temperatures of 300-900 degrees C. It is scheduled to end in 2014. The dimensional changes, elastic modulus, coefficient of thermal expansion, etc., will be studied. C1 [Takizawa, Kentaro; Kakehashi, Kazuyuki; Fukuda, Toshiaki; Kida, Tohru] Tokai Carbon Co LTD, Tokai, Ibaraki, Japan. [Sawa, Kazuhiro; Sumita, Junya] Japan Atom Energy Agcy, Ibaraki, Japan. [Katoh, Yutai; Snead, Lance L.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Takizawa, K (reprint author), Tokai Carbon Co LTD, Tokai, Ibaraki, Japan. NR 4 TC 0 Z9 0 U1 0 U2 2 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-118-05994-4; 978-1-118-09538-6 J9 CERAM ENG SCI PROC PY 2011 VL 32 IS 9 BP 13 EP 19 PG 7 WC Energy & Fuels; Materials Science, Ceramics SC Energy & Fuels; Materials Science GA BEE88 UT WOS:000316340100003 ER PT S AU Matyas, J Fryxell, GE Busche, BJ Wallace, K Fifield, LS AF Matyas, J. Fryxell, G. E. Busche, B. J. Wallace, K. Fifield, L. S. BE Katoh, Y Fox, KM Lin, HT Belharouak, I Widjaja, S Singh, D TI FUNCTIONALIZED SILICA AEROGELS: ADVANCED MATERIALS TO CAPTURE AND IMMOBILIZE RADIOACTIVE IODINE SO CERAMIC MATERIALS FOR ENERGY APPLICATIONS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 5th International Symposium on Nanostructured Materials and Nanotechnology was held during the 35th International Conference and Exposition on Advanced Ceramics and Composites (ICACC) CY JAN 23-28, 2011 CL Daytona Beach, FL SP Amer Ceram Soc (ACerS), Engn Ceram Div (ECD), Amer Ceram Soc (ACerS), Nucl & Environm Technol Div, Amer Ceram Soc (ACerS) ID I-129 AB To support the future expansion of nuclear energy, an effective method is needed to capture and safely store radiological iodine-129 released during reprocessing of spent nuclear fuel. Various materials have been investigated to capture and immobilize iodine. In most cases, however, the materials that are effective for capturing iodine cannot subsequently be sintered/densified to create a stable composite that could be a viable waste form. We have developed chemically modified, highly porous, silica aerogels that show sorption capacities greater than 440 mg of I-2 per gram at 150 degrees C. An iodine uptake test in dry air with a concentration of iodine 44 mg/m demonstrated no breakthrough after 3.5 h and indicated a decontamination factor in excess of 310. Preliminary densification tests showed that the I-2-loaded aerogels retained more than 92 mass% of I-2 after thermal sintering with pressure assistance at 1200 degrees C for 30 min. These high capture and retention efficiencies for I-2 can be further improved by optimizing the functionalization process and the chemistry as well as the sintering conditions. C1 [Matyas, J.; Fryxell, G. E.; Busche, B. J.; Wallace, K.; Fifield, L. S.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Matyas, J (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. RI Fifield, Leonard/E-9773-2010 OI Fifield, Leonard/0000-0002-7432-5356 NR 16 TC 5 Z9 5 U1 0 U2 10 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-118-05994-4 J9 CERAM ENG SCI PROC PY 2011 VL 32 IS 9 BP 23 EP 32 PG 10 WC Energy & Fuels; Materials Science, Ceramics SC Energy & Fuels; Materials Science GA BEE88 UT WOS:000316340100004 ER PT S AU Pol, VG Thackeray, MM AF Pol, Vilas G. Thackeray, M. M. BE Katoh, Y Fox, KM Lin, HT Belharouak, I Widjaja, S Singh, D TI AUTOGENIC REACTIONS FOR FABRICATING LITHIUM BATTERY ELECTRODE MATERIALS SO CERAMIC MATERIALS FOR ENERGY APPLICATIONS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 5th International Symposium on Nanostructured Materials and Nanotechnology was held during the 35th International Conference and Exposition on Advanced Ceramics and Composites (ICACC) CY JAN 23-28, 2011 CL Daytona Beach, FL SP Amer Ceram Soc (ACerS), Engn Ceram Div (ECD), Amer Ceram Soc (ACerS), Nucl & Environm Technol Div, Amer Ceram Soc (ACerS) ID ION CELLS; CARBON NANOTUBES; LI-INSERTION; HARD CARBON; GRAPHITE; NANOPARTICLES; PYROLYSIS; ANODE AB Autogenic reactions, based on the decomposition of chemical precursors at elevated temperatures under self generated pressures are being used to prepare a wide range of materials with interesting structural, morphological and technological properties. The technique is highly versatile; it can produce a wide range of carbon materials and architectures, carbon coated metal oxides and lithium metal phosphates, all of which are of interest as electrodes for lithium-ion battery applications. One particularly interesting example is spherical carbon, which is of interest a possible anode material. Carbon spheres can be prepared by the thermal decomposition of mesitylene (C9H12) or plastic waste in an enclosed reactor under nitrogen or argon at 700 degrees C. The solid carbon spheres, typically 2 - 4 mu m in diameter, contain turbostratically disordered graphite sheets, the ordering of which can be increased by heating the spheres to 2400 degrees C under inert conditions. Heat treatment improves the electrochemical properties of these carbon electrodes; the initial electrochemical reaction of lithium occurs predominantly below 1 V, typical of a hard carbon electrode, generating a capacity of 307 mAh/g. The irreversible capacity loss on the first cycle (15.5 %) is significantly less than that observed for unheated samples, typically 60 %. On cycling at 51 mA/g (similar to C/ 5 rate) between 1.5 V and 5 mV, the carbon spheres provide a steady capacity of approximately 250 mAh/g. C1 [Pol, Vilas G.; Thackeray, M. M.] Argonne Natl Lab, Chem Sci & Engn Div, Electrochem Energy Storage Dept, Argonne, IL 60439 USA. RP Pol, VG (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Electrochem Energy Storage Dept, 9700 S Cass Ave, Argonne, IL 60439 USA. EM pol@anl.gov NR 25 TC 0 Z9 0 U1 1 U2 7 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-118-05994-4 J9 CERAM ENG SCI PROC PY 2011 VL 32 IS 9 BP 185 EP 194 PG 10 WC Energy & Fuels; Materials Science, Ceramics SC Energy & Fuels; Materials Science GA BEE88 UT WOS:000316340100019 ER PT J AU Jokic, B Mitric, M Radmilovic, V Drmanic, S Petrovic, R Janackovic, D AF Jokic, Bojan Mitric, Miodrag Radmilovic, Velimir Drmanic, Sasa Petrovic, Rada Janackovic, Djordje TI Synthesis and characterization of monetite and hydroxyapatite whiskers obtained by a hydrothermal method SO CERAMICS INTERNATIONAL LA English DT Article DE Whiskers; Apatite; Monetite ID CALCIUM; MORPHOLOGY; PRECIPITATION; DECOMPOSITION; APATITE; CEMENTS AB High temperature hydrothermal syntheses, using calcium nitrate tetrahydrate, sodium dihydrogen phosphate and urea as precursors, and characterization of hydroxyapatite (HAp) whiskers are reported herein. The morphology and chemical composition of the crystals from a monetite to a hydroxyapatite phase were controlled by varying the starting concentrations of the precursors and the solution pH through the amount of urea that is decomposed during heating. X-ray diffraction (XRD) analysis, infrared spectroscopy (IR), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), transmission electron microscopy (TEM) and high-resolution TEM (HRTEM) were used to investigate the products of the syntheses in order to find the optimum reaction conditions for obtaining the desired morphology and phase composition. Different morphologies ranging from single crystals of monetite through rods and plates of hydroxyapatite with different size distribution to whisker-like single hydroxyapatite crystal were achieved by simply varying the starting concentration of urea. Structural refinement of the hydroxyapatite whiskers confirmed a strong preferential orientation along the c-axis direction of the hexagonal crystal structure, which was significantly different from the usually observed random crystal orientation. TEM and SEM analysis of the apatite whiskers confirmed single crystal structure with the a c-axis orientation parallel to the long axis of the whiskers, with sizes up to 150 mu m in length, 10 mu m in width and with a thickness of about 300 nm, that grew from the same centre of nucleation, forming flaky-like particles. (C) 2010 Elsevier Ltd and Techna Group Sri. All rights reserved. C1 [Jokic, Bojan; Drmanic, Sasa; Petrovic, Rada; Janackovic, Djordje] Fac Technol & Met Belgrade, Belgrade 11000, Serbia. [Mitric, Miodrag] Vinca Inst, Condensed Matter Phys Lab, Belgrade 11001, Serbia. [Radmilovic, Velimir] Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. RP Jokic, B (reprint author), Fac Technol & Met Belgrade, Karnegijeva 4, Belgrade 11000, Serbia. EM bjokic@tmf.bg.ac.rs RI Mitric, Miodrag/D-5056-2011 FU Science and Technological Development of the Republic of Serbia [142070B]; U.S. Department of Energy [DE-AC02-05CH11231] FX The authors wish to acknowledge the financial support from Ministry of Science and Technological Development of the Republic of Serbia through the projects 142070B and EUREKA E! 3033 Bionanocomposit.Transmission electron microscopy characterization was performed at the National Center for Electron Microscopy, Lawrence Berkeley National Laboratory, supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 34 TC 39 Z9 39 U1 1 U2 43 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0272-8842 J9 CERAM INT JI Ceram. Int. PD JAN PY 2011 VL 37 IS 1 BP 167 EP 173 DI 10.1016/j.ceramint.2010.08.032 PG 7 WC Materials Science, Ceramics SC Materials Science GA 701VU UT WOS:000285853500024 ER PT S AU Simmons, BA AF Simmons, Blake A. BE Simmons, BA TI Chemical and Biochemical Catalysis for Next Generation Biofuels Introduction SO CHEMICAL AND BIOCHEMICAL CATALYSIS FOR NEXT GENERATION BIOFUELS SE RSC Energy and Environment Series LA English DT Editorial Material; Book Chapter ID ENERGY C1 [Simmons, Blake A.] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Phys Biosci Div, Emeryville, CA USA. [Simmons, Blake A.] Sandia Natl Labs, Livermore, CA USA. RP Simmons, BA (reprint author), Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Phys Biosci Div, Emeryville, CA USA. NR 6 TC 2 Z9 2 U1 0 U2 0 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 2044-0774 BN 978-1-84973-030-3; 978-1-84973-285-7 J9 RSC ENERGY ENVIRON S PY 2011 IS 4 BP 1 EP 4 DI 10.1039/9781849732857-00001 D2 10.1039/9781849732857 PG 4 WC Biotechnology & Applied Microbiology; Chemistry, Physical; Energy & Fuels; Engineering, Chemical SC Biotechnology & Applied Microbiology; Chemistry; Energy & Fuels; Engineering GA BA0VL UT WOS:000332308800002 ER PT S AU Loque, D Eudes, A Yang, F AF Loque, Dominique Eudes, Aymerick Yang, Fan BE Simmons, BA TI Biomass Availability and Sustainability for Biofuels SO CHEMICAL AND BIOCHEMICAL CATALYSIS FOR NEXT GENERATION BIOFUELS SE RSC Energy and Environment Series LA English DT Article; Book Chapter ID MUNICIPAL SOLID-WASTE; ENERGY CROPS; EUCALYPTUS-CAMALDULENSIS; ORGANIC CONTAMINANTS; LANDFILL LEACHATE; LITTER PRODUCTION; CROPPING SYSTEMS; LEAF SENESCENCE; WOOD RESIDUES; BLACK LIQUOR C1 [Loque, Dominique; Eudes, Aymerick; Yang, Fan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Feedstocks Div, Joint BioEnergy Inst,Phys Biosci Div, Berkeley, CA 94720 USA. RP Loque, D (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Feedstocks Div, Joint BioEnergy Inst,Phys Biosci Div, Berkeley, CA 94720 USA. RI Yang, Fan/I-4438-2015 NR 143 TC 1 Z9 1 U1 0 U2 2 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 2044-0774 BN 978-1-84973-030-3; 978-1-84973-285-7 J9 RSC ENERGY ENVIRON S PY 2011 IS 4 BP 5 EP 32 DI 10.1039/9781849732857-00005 D2 10.1039/9781849732857 PG 28 WC Biotechnology & Applied Microbiology; Chemistry, Physical; Energy & Fuels; Engineering, Chemical SC Biotechnology & Applied Microbiology; Chemistry; Energy & Fuels; Engineering GA BA0VL UT WOS:000332308800003 ER PT S AU Balan, V Bals, B Sousa, LD Garlock, R Dale, BE AF Balan, Venkatesh Bals, Bryan Sousa, Leonardo da Costa Garlock, Rebecca Dale, Bruce E. BE Simmons, BA TI A Short Review on Ammonia-based Lignocellulosic Biomass Pretreatment SO CHEMICAL AND BIOCHEMICAL CATALYSIS FOR NEXT GENERATION BIOFUELS SE RSC Energy and Environment Series LA English DT Review; Book Chapter ID FIBER EXPANSION AFEX; TREATED CORN STOVER; LIQUID HOT-WATER; ENZYMATIC-HYDROLYSIS; ETHANOL-PRODUCTION; DISTILLERS GRAINS; PROCESSING CONDITIONS; ECONOMIC-ANALYSIS; EXPLOSION AFEX; WHEAT STRAW C1 [Balan, Venkatesh; Bals, Bryan; Sousa, Leonardo da Costa; Garlock, Rebecca; Dale, Bruce E.] Michigan State Univ, Dept Chem Engn & Mat Sci, BCRL, Lansing, MI 48910 USA. [Balan, Venkatesh; Bals, Bryan; Garlock, Rebecca; Dale, Bruce E.] Michigan State Univ, DOE Great Lakes Bioenergy Res Ctr, Lansing, MI 48910 USA. RP Balan, V (reprint author), Michigan State Univ, Dept Chem Engn & Mat Sci, BCRL, 3900 Collins Rd,MBI Int Bldg, Lansing, MI 48910 USA. OI Ong, Rebecca/0000-0001-5020-646X NR 69 TC 1 Z9 1 U1 0 U2 1 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 2044-0774 BN 978-1-84973-030-3; 978-1-84973-285-7 J9 RSC ENERGY ENVIRON S PY 2011 IS 4 BP 89 EP 114 DI 10.1039/9781849732857-00089 D2 10.1039/9781849732857 PG 26 WC Biotechnology & Applied Microbiology; Chemistry, Physical; Energy & Fuels; Engineering, Chemical SC Biotechnology & Applied Microbiology; Chemistry; Energy & Fuels; Engineering GA BA0VL UT WOS:000332308800006 ER PT S AU Datta, S Sapra, R AF Datta, Supratim Sapra, Rajat BE Simmons, BA TI Cellulases and Hemicellulases for Biomass Degradation: An Introduction SO CHEMICAL AND BIOCHEMICAL CATALYSIS FOR NEXT GENERATION BIOFUELS SE RSC Energy and Environment Series LA English DT Article; Book Chapter ID CARBOHYDRATE-BINDING MODULES; NEUTRON FIBER DIFFRACTION; HYDROGEN-BONDING SYSTEM; SYNCHROTRON X-RAY; CLOSTRIDIUM-THERMOCELLUM; TRICHODERMA-REESEI; ASPERGILLUS-NIGER; CELLULOSE-BINDING; CRYSTAL-STRUCTURE; LIGAND-BINDING C1 [Datta, Supratim] Joint BioEnergy Inst, Deconstruct Div, Emeryville, CA 94608 USA. [Sapra, Rajat] Sandia Natl Labs, Biomass Sci & Convers Technol Dept, Livermore, CA USA. RP Datta, S (reprint author), Joint BioEnergy Inst, Deconstruct Div, 5885 Hollis St,4th Floor, Emeryville, CA 94608 USA. NR 61 TC 1 Z9 1 U1 0 U2 0 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 2044-0774 BN 978-1-84973-030-3; 978-1-84973-285-7 J9 RSC ENERGY ENVIRON S PY 2011 IS 4 BP 115 EP 135 DI 10.1039/9781849732857-00115 D2 10.1039/9781849732857 PG 21 WC Biotechnology & Applied Microbiology; Chemistry, Physical; Energy & Fuels; Engineering, Chemical SC Biotechnology & Applied Microbiology; Chemistry; Energy & Fuels; Engineering GA BA0VL UT WOS:000332308800007 ER PT S AU Shaddix, CR AF Shaddix, Christopher R. BE Simmons, BA TI Advances in Gasification for Biofuel Production SO CHEMICAL AND BIOCHEMICAL CATALYSIS FOR NEXT GENERATION BIOFUELS SE RSC Energy and Environment Series LA English DT Article; Book Chapter ID DUAL FLUIDIZED-BED; BIOMASS GASIFICATION; DIMETHYL ETHER; THERMAL PLASMA; HYDROGEN-PRODUCTION; FUEL-CELL; STEAM GASIFICATION; HOT-GAS; TECHNOLOGY; METHANOL C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Shaddix, CR (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 69 TC 0 Z9 0 U1 0 U2 0 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 2044-0774 BN 978-1-84973-030-3; 978-1-84973-285-7 J9 RSC ENERGY ENVIRON S PY 2011 IS 4 BP 136 EP 155 DI 10.1039/9781849732857-00136 D2 10.1039/9781849732857 PG 20 WC Biotechnology & Applied Microbiology; Chemistry, Physical; Energy & Fuels; Engineering, Chemical SC Biotechnology & Applied Microbiology; Chemistry; Energy & Fuels; Engineering GA BA0VL UT WOS:000332308800008 ER PT S AU Bernacki, BE Anheier, NC Mendoza, A Fritz, BG Johnson, TJ AF Bernacki, Bruce E. Anheier, Norman C. Mendoza, Albert Fritz, Bradley G. Johnson, Timothy J. BE Fountain, AW Gardner, PJ TI Visible/Near-Infrared Hyperspectral Sensing of Solids under Controlled Environmental Conditions SO CHEMICAL, BIOLOGICAL, RADIOLOGICAL, NUCLEAR, AND EXPLOSIVES (CBRNE) SENSING XII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XII CY APR 26-28, 2011 CL Orlando, FL SP SPIE DE passive hyperspectral imaging; solid-phase spectroscopy AB We describe the use of a wind tunnel for conducting controlled passive hyperspectral imaging experiments. In recent years, passive hyperspectral detection of solids, minerals and ores has emerged as a very useful technique, for example for classifying land types, mineral deposits, and agricultural practices. Such techniques are also potentially useful for detecting explosives, solid-phase chemicals and other materials of interest from a distance so as to provide operator safety. The Pacific Northwest National Laboratory operates a wind tunnel facility that can generate and circulate artificial atmospheres whereby certain environmental parameters can be controlled such as lighting, humidity, temperature, aerosol and obscurant burdens. By selecting the appropriate fore-optics and sample size, one can conduct meaningful experiments under controlled conditions at relatively low cost when compared to typical field deployments. We will present recent results describing optimized sensing of solids over tens of meters distance using both visible and near-infrared cameras, as well as the effects of certain environmental parameters on data retrieval. C1 [Bernacki, Bruce E.; Anheier, Norman C.; Mendoza, Albert; Fritz, Bradley G.; Johnson, Timothy J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Bernacki, BE (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM bruce.bernacki@pnnl.gov NR 11 TC 1 Z9 1 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-592-2 J9 PROC SPIE PY 2011 VL 8018 AR 80180K DI 10.1117/12.884031 PG 10 WC Optics; Physics, Applied SC Optics; Physics GA BXX76 UT WOS:000297515800017 ER PT S AU Bisson, SE Headrick, JM Reichardt, TA Farrow, RL Kulp, TJ AF Bisson, Scott E. Headrick, Jeffrey M. Reichardt, Thomas A. Farrow, Roger L. Kulp, Thomas J. BE Fountain, AW Gardner, PJ TI A two-pulse, pump-probe method for short-range, remote standoff detection of chemical warfare agents SO CHEMICAL, BIOLOGICAL, RADIOLOGICAL, NUCLEAR, AND EXPLOSIVES (CBRNE) SENSING XII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XII CY APR 26-28, 2011 CL Orlando, FL SP SPIE DE photofragmentation; short-range lidar; chemical agent detection ID PO; EXCITATION AB We describe a photofragment laser-induced fluorescence (PF-LIF) method that can be applied to the short-range-standoff detection of low-volatility organophosphonate chemical warfare agents (OP-CWAs) on surfaces. It operates by photofragmenting a surface-bound analyte and then actively interrogating a released phosphorous monoxide (PO) fragment using LIF. We demonstrate a single-pulse-pair (pump = 500 mu J @ 266 nm; probe = 20 mu J @ 248 nm) surface detection sensitivity of 30 mu g/cm(2) for the organophosphonate diisopropyl isothiocyanate phosphonate (DIPP) on aluminum and 210 mu g/cm(2) for the same analyte on a more porous concrete surface. By detecting the PO photofragment, the method indicates the presence of organophosphonates; however, we show that it also responds to other phosphorous-containing compounds. Because of its limited specificity, we believe that the method may have most immediate use as a mapping tool to rapidly identify "hotspots" of OP-CWAs. These would then be confirmed using a more specific tool. As one method of confirming the presence of OP-CWAs (and identifying the agent), we demonstrate that the probe beam can be used to acquire Raman-scattering spectra of the target area. C1 [Bisson, Scott E.; Headrick, Jeffrey M.; Reichardt, Thomas A.; Farrow, Roger L.; Kulp, Thomas J.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Bisson, SE (reprint author), Sandia Natl Labs, POB 969,MS 9056, Livermore, CA 94551 USA. EM sebisso@sandia.gov NR 5 TC 0 Z9 0 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-592-2 J9 PROC SPIE PY 2011 VL 8018 AR 80180Q DI 10.1117/12.887918 PG 7 WC Optics; Physics, Applied SC Optics; Physics GA BXX76 UT WOS:000297515800022 ER PT S AU Dioszegi, I Salwen, C Forman, L AF Dioszegi, Istvan Salwen, Cynthia Forman, Leon BE Fountain, AW Gardner, PJ TI Gamma/neutron analysis for SNM signatures at high-data rates (greater than 10(7) cps) for single-pulse active interrogation SO CHEMICAL, BIOLOGICAL, RADIOLOGICAL, NUCLEAR, AND EXPLOSIVES (CBRNE) SENSING XII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XII CY APR 26-28, 2011 CL Orlando, FL SP SPIE DE Spontaneous fission; neutron; gamma ray; coincidence AB We are developing a high data gamma/neutron spectrometer suitable for active interrogation of special nuclear materials (SNM) activated by a single burst from an intense source. We have tested the system at Naval Research Laboratory's (NRL) Mercury pulsed-power facility at distances approaching 10 meters from a depleted uranium (DU) target. We have found that the gamma-ray field in the target room "disappears" 10 milliseconds after the x-ray flash, and that gamma ray spectroscopy will then be dominated by isomeric states/beta decay of fission products. When a polyethylene moderator is added to the DU target, a time-dependent signature of the DU is produced by thermalized neutrons. We observe this signature in gamma-spectra measured consecutively in the 0.1-1.0 ms time range. These spectra contain the Compton edge line (2.2 MeV) from capture in hydrogen, and a continuous high energy gamma-spectrum from capture or fission in minority constituents of the DU. C1 [Dioszegi, Istvan; Salwen, Cynthia] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Dioszegi, I (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM dioszegi@bnl.gov NR 5 TC 0 Z9 0 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-592-2 J9 PROC SPIE PY 2011 VL 8018 AR 80180D DI 10.1117/12.883912 PG 8 WC Optics; Physics, Applied SC Optics; Physics GA BXX76 UT WOS:000297515800012 ER PT S AU Moore, DS Rabitz, H McGrane, SD Greenfield, MT Scharff, RJ Chalmers, RE Roslund, J AF Moore, D. S. Rabitz, Herschel McGrane, S. D. Greenfield, M. T. Scharff, R. J. Chalmers, R. E. Roslund, J. BE Fountain, AW Gardner, PJ TI Optimal Dynamic Detection of Explosives SO CHEMICAL, BIOLOGICAL, RADIOLOGICAL, NUCLEAR, AND EXPLOSIVES (CBRNE) SENSING XII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XII CY APR 26-28, 2011 CL Orlando, FL SP SPIE DE coherent control; dynamic nonlinear; ultrafast lasers; closed-loop optimization; detection; explosives ID QUANTUM CONTROL AB We are utilizing control of molecular processes at the quantum level via the best capabilities of recent laser technology and recent discoveries in optimal shaping of laser pulses to significantly enhance the standoff detection of explosives. Optimal dynamic detection of explosives (ODD-Ex) is a methodology whereby laser pulses are optimally shaped to simultaneously enhance the sensitivity and selectivity of any of a wide variety of spectroscopic methods for explosives signatures while reducing the influence of noise and environmental perturbations. We discuss here recent results using complementary ODD-Ex methods. C1 [Moore, D. S.; McGrane, S. D.; Greenfield, M. T.; Scharff, R. J.; Chalmers, R. E.] Los Alamos Natl Lab, Shock & Detonat Phys Grp, Los Alamos, NM 87545 USA. RP Moore, DS (reprint author), Los Alamos Natl Lab, Shock & Detonat Phys Grp, POB 1663, Los Alamos, NM 87545 USA. OI Mcgrane, Shawn/0000-0002-2978-3980; Scharff, Robert/0000-0002-1708-8964 NR 13 TC 1 Z9 1 U1 1 U2 6 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-81948-592-2 J9 PROC SPIE PY 2011 VL 8018 AR 80181D DI 10.1117/12.882963 PG 7 WC Optics; Physics, Applied SC Optics; Physics GA BXX76 UT WOS:000297515800044 ER PT J AU Malavasi, L Orera, A Slater, PR Panchmatia, PM Islam, MS Siewenie, J AF Malavasi, Lorenzo Orera, Alodia Slater, Peter R. Panchmatia, Pooja M. Islam, M. Saiful Siewenie, Joan TI Local structure investigation of oxide ion and proton defects in Ge-apatites by pair distribution function analysis SO CHEMICAL COMMUNICATIONS LA English DT Article ID INTERSTITIAL OXYGEN; PHASE-TRANSITION; CONDUCTIVITY; LA8SR2SI6O26; ELECTROLYTES; LA9.33SI6O26; TRANSPORT AB In this communication we provide a direct insight into the local structure and defects of oxygen excess Ge-apatites, in both dry and deuterated states, by means of pair distribution function analysis. C1 [Malavasi, Lorenzo] Univ Pavia, Dept Phys Chem M Rolla, INSTM, I-27100 Pavia, Italy. [Malavasi, Lorenzo] Univ Pavia, IENI CNR, I-27100 Pavia, Italy. [Orera, Alodia] Inst Ciencia Mat Aragon, Dpto Ciencia & Tecnol Mat & Fluidos, Zaragoza 50018, Spain. [Slater, Peter R.] Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England. [Panchmatia, Pooja M.; Islam, M. Saiful] Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England. [Siewenie, Joan] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Malavasi, L (reprint author), Univ Pavia, Dept Phys Chem M Rolla, INSTM, Viale Taramelli 16, I-27100 Pavia, Italy. EM Lorenzo.malavasi@unipv.it RI Orera, Alodia/G-4513-2010; Orera, Alodia/B-9524-2009; Malavasi, Lorenzo/P-1966-2016; OI Orera, Alodia/0000-0001-8751-0983; Panchmatia, Pooja/0000-0001-6624-2561; Malavasi, Lorenzo/0000-0003-4724-2376; Slater, Peter/0000-0002-6280-7673 FU INSTM-Regione Lombardia; DOE Office of Basic Energy Sciences FX We acknowledge the support of the INSTM-Regione Lombardia Project "PICASSO". This work has benefited from the use of NPDF at the Lujan Center at Los Alamos Neutron Science Center, funded by DOE Office of Basic Energy Sciences. NR 22 TC 5 Z9 5 U1 2 U2 19 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 1 BP 250 EP 252 DI 10.1039/c0cc00523a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 691GM UT WOS:000285068300037 PM 20571699 ER PT J AU Caldwell, MA Albers, AE Levy, SC Pick, TE Cohen, BE Helms, BA Milliron, DJ AF Caldwell, Marissa A. Albers, Aaron E. Levy, Seth C. Pick, Teresa E. Cohen, Bruce E. Helms, Brett A. Milliron, Delia J. TI Driving oxygen coordinated ligand exchange at nanocrystal surfaces using trialkylsilylated chalcogenides SO CHEMICAL COMMUNICATIONS LA English DT Article ID SEMICONDUCTOR QUANTUM DOTS; POLYETHYLENE-GLYCOL; CDSE NANOCRYSTALS; LIVING CELLS; THIOLS; ACID AB A general, efficient method is demonstrated for exchanging native oxyanionic ligands on inorganic nanocrystals with functional trimethylsilylated (TMS) chalcogenido ligands. In addition, newly synthesized TMS mixed chalcogenides leverage preferential reactivity of TMS-S bonds over TMS-O bonds, enabling efficient transfer of luminescent nanocrystals into aqueous media with retention of their optical properties. C1 [Albers, Aaron E.; Levy, Seth C.; Pick, Teresa E.; Cohen, Bruce E.; Helms, Brett A.; Milliron, Delia J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Caldwell, Marissa A.] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. RP Helms, BA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM bahelms@lbl.gov; dmilliron@lbl.gov RI Milliron, Delia/D-6002-2012; OI Helms, Brett/0000-0003-3925-4174 FU Office of Science, Office of Basic Energy Sciences of the US Department of Energy [DE-AC02-05CH11231]; IBM; Stanford Non-Volatile Memory Technology Research Initiative (NMTRI); Ernest Orlando Lawrence Postdoctoral Fellowship; Office of Science, Department of Energy FX The authors gratefully acknowledge Dr Emory Chan for synthesis of CdSe and CdTe NCs using WANDA and Tracy Mattox for synthesis of ZnO NCs. Research was completed entirely at The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA, USA and was supported by the Office of Science, Office of Basic Energy Sciences of the US Department of Energy under contract no. DE-AC02-05CH11231. M. A. C. is partially supported by the IBM Graduate Student Fellowship and the Stanford Non-Volatile Memory Technology Research Initiative (NMTRI) and its member companies. A. E. A. is partially supported by an Ernest Orlando Lawrence Postdoctoral Fellowship. S. C. L. was supported by the Office of Science, Department of Energy's Science Undergraduate Laboratory Internship (SULI) program. NR 28 TC 20 Z9 20 U1 2 U2 23 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 1 BP 556 EP 558 DI 10.1039/c0cc02220a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 691GM UT WOS:000285068300139 PM 21103582 ER PT J AU Broaders, KE Pastine, SJ Grandhe, S Frechet, JMJ AF Broaders, Kyle E. Pastine, Stefan J. Grandhe, Sirisha Frechet, Jean M. J. TI Acid-degradable solid-walled microcapsules for pH-responsive burst-release drug delivery SO CHEMICAL COMMUNICATIONS LA English DT Article ID DEXTRAN; MICROPARTICLES; NANOPARTICLES; MINIEMULSION; POLYMER AB Acid-degradable microcapsules were prepared via an interfacial polymerization. Degradation of the thin wall of the capsules leads to all-or-nothing cargo release. The only byproducts of degradation are acetone, and a non-toxic triamide. Proof-of-concept experiments showed that cargo can be delivered to and released in cells. C1 [Broaders, Kyle E.; Pastine, Stefan J.; Grandhe, Sirisha; Frechet, Jean M. J.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Frechet, Jean M. J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Frechet, JMJ (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM fretchet@cchem.berkeley.edu RI Broaders, Kyle/G-2796-2010; OI Broaders, Kyle/0000-0002-6827-8717; Frechet, Jean /0000-0001-6419-0163 FU U.S. Department of Energy BES [DE-AC02-05CH11231] FX We thank U.S. Department of Energy BES (DE-AC02-05CH11231) for funding, Jungwon Park for assistance with TEM acquisition, and Ann Fisher at the UC Berkeley Cell Culture Facility. NR 17 TC 61 Z9 64 U1 4 U2 59 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 2 BP 665 EP 667 DI 10.1039/c0cc04190d PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 694LT UT WOS:000285300400010 PM 21113530 ER PT J AU Tian, JA Thallapally, P Liu, J Exarhos, GJ Atwood, JL AF Tian, Jian Thallapally, Praveen Liu, Jun Exarhos, Gregory J. Atwood, Jerry L. TI Gas-induced solid state transformation of an organic lattice: from nonporous to nanoporous SO CHEMICAL COMMUNICATIONS LA English DT Article ID ZEOLITE TRIS(O-PHENYLENEDIOXY)CYCLOTRIPHOSPHAZENE; PHOSPHONITRILIC COMPOUNDS; HOST; CRYSTAL; XENON; FRAMEWORKS; MOLECULES; LEAD; I-2 AB A well-known organic host, tris-o-phenylenedioxycyclotriphosphazene, exists in two polymorphic guest-free forms: the thermodynamic nonporous high-density phase and the kinetic nanoporous low-density phase. Simple pressurization of the high density phase with CO(2) brings a solid-state transformation to the low density phase, resulting in significant expansion of the crystal volume by 23%. C1 [Tian, Jian; Thallapally, Praveen] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. [Liu, Jun; Exarhos, Gregory J.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Atwood, Jerry L.] Univ Missouri, Dept Chem, Columbia, MO 65211 USA. RP Thallapally, P (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. EM Praveen.Thallapally@pnl.gov; atwoodj@missouri.edu RI Tian, Jian/I-8637-2012; OI Thallapally, Praveen Kumar/0000-0001-7814-4467 FU US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [KC020105-FWP12152]; DOE by Battelle [DE-AC05-76RL01830] FX We acknowledge US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award KC020105-FWP12152. PNNL is a multiprogram national laboratory operated for DOE by Battelle under Contract DE-AC05-76RL01830. NR 24 TC 29 Z9 31 U1 0 U2 23 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 2 BP 701 EP 703 DI 10.1039/c0cc04260a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 694LT UT WOS:000285300400022 PM 21082077 ER PT J AU Aguila, D Barrios, LA Roubeau, O Teat, SJ Aromi, G AF Aguila, David Barrios, Leoni A. Roubeau, Olivier Teat, Simon J. Aromi, Guillem TI Molecular assembly of two [Co(II)(4)] linear arrays SO CHEMICAL COMMUNICATIONS LA English DT Article ID MAGNETIC-PROPERTIES; COMPLEXES; CRYSTAL; LIGAND; CLUSTERS; TOPOLOGY AB Molecular chains of four Co(II) ions stabilized by a bis-beta-diketone/pyridyl ligand may be isolated or linked into molecular pairs of two semi-independent such units. C1 [Aguila, David; Barrios, Leoni A.; Aromi, Guillem] Univ Barcelona, Dept Quim Inorgan, E-08028 Barcelona, Spain. [Roubeau, Olivier] CSIC, Inst Ciencia Mat Aragon, E-50009 Zaragoza, Spain. [Roubeau, Olivier] Univ Zaragoza, E-50009 Zaragoza, Spain. [Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Aromi, G (reprint author), Univ Barcelona, Dept Quim Inorgan, Diagonal 647, E-08028 Barcelona, Spain. EM guillem.aromi@qi.ub.es RI Aromi, Guillem/I-2483-2015; Roubeau, Olivier/A-6839-2010; BARRIOS MORENO, LEONI ALEJANDRA/E-5413-2017 OI Aromi, Guillem/0000-0002-0997-9484; Roubeau, Olivier/0000-0003-2095-5843; BARRIOS MORENO, LEONI ALEJANDRA/0000-0001-7075-9950 FU U.S. Department of Energy [DE-AC02-05CH11231] FX GA thanks the Generalitat de Catalunya for the prize ICREA Academia 2008. The authors thank the Spanish MCI through CTQ2009-06959 (GA, LB and DA). The Advanced Light Source (SJT) is supported by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 17 TC 21 Z9 21 U1 0 U2 8 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 2 BP 707 EP 709 DI 10.1039/c0cc03646c PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 694LT UT WOS:000285300400024 PM 21069212 ER PT J AU Shustova, NB Kuvychko, IV Peryshkov, DV Whitaker, JB Larson, BW Chen, YS Dunsch, L Seppelt, K Popov, AA Strauss, SH Boltalina, OV AF Shustova, Natalia B. Kuvychko, Igor V. Peryshkov, Dmitry V. Whitaker, James B. Larson, Bryon W. Chen, Yu-Sheng Dunsch, Lothar Seppelt, Konrad Popov, Alexey A. Strauss, Steven H. Boltalina, Olga V. TI Chemical tailoring of fullerene acceptors: synthesis, structures and electrochemical properties of perfluoroisopropylfullerenes SO CHEMICAL COMMUNICATIONS LA English DT Article ID DFT AB High-temperature syntheses of the new C(60)(i-C(3)F(7))(2,4,6) and C(70)(i-C(3)F(7))(2,4) isomers and their characterization by spectroscopic methods, X-ray crystallography, cyclic voltammetry and density functional theory provide compelling evidence that they are superior electron acceptors than trifluoromethylfullerenes. C1 [Dunsch, Lothar; Popov, Alexey A.] Leibniz Inst Solid State & Mat Res Dresden, D-01069 Dresden, Germany. [Shustova, Natalia B.; Kuvychko, Igor V.; Peryshkov, Dmitry V.; Whitaker, James B.; Larson, Bryon W.; Strauss, Steven H.; Boltalina, Olga V.] Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA. [Chen, Yu-Sheng] Argonne Natl Lab, Adv Photon Source, ChemMatCARS, Argonne, IL 60439 USA. [Seppelt, Konrad] Free Univ Berlin, Inst Anorgan & Analyt Chem, D-14195 Berlin, Germany. RP Popov, AA (reprint author), Leibniz Inst Solid State & Mat Res Dresden, Helmholtzstr 20, D-01069 Dresden, Germany. EM steven.strauss@colostate.edu; olga.boltalina@colostate.edu RI Popov, Alexey/A-9937-2011; Peryshkov, Dmitry/B-8706-2008; OI Popov, Alexey/0000-0002-7596-0378; Shustova, Natalia/0000-0003-3952-1949; Peryshkov, Dmitry/0000-0002-5653-9502 FU NSF/DOE [CHE-0535644]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX We thank the Alexander von Humboldt Foundation (AAP, OVB, JBW), the U.S. NSF (CHE-0707223, CHE-1012468, CHE-0822838), and the Colorado State University Research Foundation. ChemMatCARS Sector 15 is principally supported by the NSF/DOE under Grant CHE-0535644. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract DE-AC02-06CH11357. NR 7 TC 13 Z9 13 U1 1 U2 12 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 3 BP 875 EP 877 DI 10.1039/c0cc03247f PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 697LN UT WOS:000285515200005 PM 21063613 ER PT J AU Sumida, K Brown, CM Herm, ZR Chavan, S Bordiga, S Long, JR AF Sumida, Kenji Brown, Craig M. Herm, Zoey R. Chavan, Sachin Bordiga, Silvia Long, Jeffrey R. TI Hydrogen storage properties and neutron scattering studies of Mg-2(dobdc)-a metal-organic framework with open Mg2+ adsorption sites SO CHEMICAL COMMUNICATIONS LA English DT Article ID CARBON-DIOXIDE; COORDINATION POLYMER; ADSORBED HYDROGEN; SURFACE-AREAS; H-2; TEMPERATURE; DIFFUSION; BINDING; DESIGN; PORES AB The hydrogen storage properties of Mg-2(dobdc) (dobdc(4-) = 2,5-dioxido-1,4-benzenedicarboxylate), a metal-organic framework possessing hexagonal one-dimensional channels decorated with unsaturated Mg2+ coordination sites, have been examined through low-and high-pressure adsorption experiments, infrared spectroscopy, and neutron scattering studies. C1 [Brown, Craig M.] Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Sumida, Kenji; Herm, Zoey R.; Long, Jeffrey R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Sumida, Kenji; Herm, Zoey R.; Long, Jeffrey R.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Chavan, Sachin; Bordiga, Silvia] Univ Turin, IFM, Dept Chem, I-10135 Turin, Italy. [Chavan, Sachin; Bordiga, Silvia] Univ Turin, NIS Ctr Excellence, I-10135 Turin, Italy. RP Brown, CM (reprint author), Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA. EM craig.brown@nist.gov; jrlong@berkeley.edu RI Sumida, Kenji/E-7542-2011; Sanders, Susan/G-1957-2011; Bordiga, Silvia/M-3875-2014; Brown, Craig/B-5430-2009; Chavan, Sachin/B-8025-2014; OI Bordiga, Silvia/0000-0003-2371-4156; Brown, Craig/0000-0002-9637-9355; Sumida, Kenji/0000-0003-0215-5922 FU Department of Energy [DE-AC02-05CH11231]; Fulbright New Zealand FX This work was supported by the Department of Energy under Contract No. DE-AC02-05CH11231. We thank Fulbright New Zealand for partial support of K.S. NR 41 TC 104 Z9 104 U1 4 U2 58 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 4 BP 1157 EP 1159 DI 10.1039/c0cc03453c PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 704LY UT WOS:000286055700006 PM 21109867 ER PT J AU Tian, ZY Li, ADQ Hu, DH AF Tian, Zhiyuan Li, Alexander D. Q. Hu, Dehong TI Super-resolution fluorescence nanoscopy applied to imaging core-shell photoswitching nanoparticles and their self-assemblies SO CHEMICAL COMMUNICATIONS LA English DT Article ID DIFFRACTION-LIMIT; FIELD OPTICS; LIVING CELLS; MICROSCOPY; LOCALIZATION; SPECTROSCOPY; SPIROPYRANS; MOLECULES; VISCOSITY; PROBES AB Using photo-actuated unimolecular logical switching attained reconstruction (PULSAR) nanoscopy, the structures of photoswitchable polymeric nanoparticles self-assembled on the surfaces of CaCl(2) crystals at the nanoscale were revealed; the photoswitching events and the locations of the photoswitchable fluorescent dyes inside the hydrophobic cores of the core-shell type polymeric nanoparticles were determined. C1 [Tian, Zhiyuan; Li, Alexander D. Q.] Washington State Univ, Dept Chem, Pullman, WA 99164 USA. [Hu, Dehong] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Li, ADQ (reprint author), Washington State Univ, Dept Chem, Pullman, WA 99164 USA. EM dequan@wsu.edu; Dehong.Hu@pnl.gov RI Hu, Dehong/B-4650-2010 OI Hu, Dehong/0000-0002-3974-2963 FU National Science Foundation [CHE-0805547]; EMSL; DOE's office of Biological & Environmental Research FX This research was supported by National Science Foundation (CHE-0805547). DH thanks the support from EMSL, a national scientific user facility sponsored by the DOE's office of Biological & Environmental Research and located at PNNL. NR 29 TC 24 Z9 25 U1 4 U2 32 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 4 BP 1258 EP 1260 DI 10.1039/c0cc03217d PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 704LY UT WOS:000286055700040 PM 21103557 ER PT J AU Chong, M Karkamkar, A Autrey, T Orimo, S Jalisatgi, S Jensen, CM AF Chong, Marina Karkamkar, Abhi Autrey, Tom Orimo, Shin-ichi Jalisatgi, Satish Jensen, Craig M. TI Reversible dehydrogenation of magnesium borohydride to magnesium triborane in the solid state under moderate conditions SO CHEMICAL COMMUNICATIONS LA English DT Article ID HYDROGEN STORAGE; CALCIUM BOROHYDRIDE; BORANES; LIBH4; MG(BH4)(2); CHEMISTRY; B12H12-2; HYDRIDES AB Thermal decomposition of magnesium borohydride, Mg(BH4)(2), in the solid state was studied by a combination of PCT, TGA/MS and NMR spectroscopy. Dehydrogenation of Mg(BH4)(2) at 200 degrees C en vacuo results in the highly selective formation of magnesium triborane, Mg(B3H8)(2). This process is reversible at 250 degrees C under 120 atm H-2. Dehydrogenation at higher temperature, > 300 degrees C under a constant argon flow of 1 atm, produces a complex mixture of polyborane species. A borohydride condensation mechanism involving metal hydride formation is proposed. C1 [Karkamkar, Abhi; Autrey, Tom] Pacific NW Natl Lab, Richland, WA 99352 USA. [Chong, Marina; Jensen, Craig M.] Univ Hawaii Manoa, Dept Chem, Honolulu, HI 96822 USA. [Orimo, Shin-ichi] Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan. [Jalisatgi, Satish] Univ Missouri, Int Inst Nano & Mol Med, Sch Med, Columbia, MO 65211 USA. RP Autrey, T (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM tom.autrey@pnl.gov; jensen@hawaii.edu RI ORIMO, Shin-ichi/A-4971-2011 OI ORIMO, Shin-ichi/0000-0002-4216-0446 FU US Department of Energy (DOE), Office of Energy Efficency and Renewable Energy; DOE Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory (PNNL) FX We wish to thank Professor Fred Hawthorne, Drs Martin O. Jones and Ewa Ronnebro for useful discussion. This work was supported by the US Department of Energy (DOE), Office of Energy Efficency and Renewable Energy, and was performed in part at EMSL, a national scientific user facility sponsored by the DOE Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the DOE. NR 28 TC 83 Z9 83 U1 11 U2 57 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 4 BP 1330 EP 1332 DI 10.1039/c0cc03461d PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 704LY UT WOS:000286055700064 PM 21107458 ER PT J AU Taylor, SM McIntosh, RD Beavers, CM Teat, SJ Piligkos, S Dalgarno, SJ Brechin, EK AF Taylor, Stephanie M. McIntosh, Ruaraidh D. Beavers, Christine M. Teat, Simon J. Piligkos, Stergios Dalgarno, Scott J. Brechin, Euan K. TI Calix[4]arene supported clusters: a dimer of [(MnMnII)-Mn-III] dimers SO CHEMICAL COMMUNICATIONS LA English DT Article ID VALENCE MNIIMNIII COMPLEXES; CALIXARENES; CAPSULES; METAL; MAGNETS AB Phosphinate ligands allow for the transformation of a calix[4]arene supported [(Mn2Mn2II)-Mn-III] tetramer cluster motif into an unusual [(MnMnII)-Mn-III](2) dimer of dimers; the clusters self-assemble in the crystal to form bi-layer arrays reminiscent of the typical packing of calixarene solvates. C1 [Piligkos, Stergios] Univ Copenhagen, Dept Chem, DK-2100 Copenhagen, Denmark. [Taylor, Stephanie M.; Brechin, Euan K.] Univ Edinburgh, Sch Chem, Edinburgh EH9 3JJ, Midlothian, Scotland. [McIntosh, Ruaraidh D.; Dalgarno, Scott J.] Heriot Watt Univ, Sch Engn & Phys Sci Chem, Edinburgh EH14 4AS, Midlothian, Scotland. [Beavers, Christine M.; Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Piligkos, S (reprint author), Univ Copenhagen, Dept Chem, Univ Pk 5, DK-2100 Copenhagen, Denmark. EM piligkos@kiku.dk; S.J.Dalgarno@hw.ac.uk; ebrechin@staffmail.ed.ac.uk RI Beavers, Christine/C-3539-2009; McIntosh, Ruaraidh/F-9750-2011; Piligkos, Stergios/C-7409-2013; Brechin, Euan/M-5130-2014; Dalgarno, Scott/A-7358-2010 OI Beavers, Christine/0000-0001-8653-5513; McIntosh, Ruaraidh/0000-0002-7563-5655; Piligkos, Stergios/0000-0002-4011-6476; Brechin, Euan/0000-0002-9365-370X; Dalgarno, Scott/0000-0001-7831-012X FU Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231] FX The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under contract no DE-AC02-05CH11231. NR 25 TC 23 Z9 23 U1 1 U2 23 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 5 BP 1440 EP 1442 DI 10.1039/c0cc04466k PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 708UJ UT WOS:000286389500010 PM 21161081 ER PT J AU Dunphy, DR Garcia, FL Jiang, Z Strzalka, J Wang, J Brinker, CJ AF Dunphy, Darren R. Garcia, Fred L. Jiang, Zhang Strzalka, Joseph Wang, Jin Brinker, C. Jeffrey TI X-Ray characterization of self-assembled long-chain phosphatidylcholine/bile salt/silica mesostructured films with nanoscale homogeneity SO CHEMICAL COMMUNICATIONS LA English DT Article ID WATER-SYSTEMS; IMMOBILIZATION AB A bile salt (sodium taurodeoxycholate, NaTDC) was used to prevent phase separation between silica and lipid in self-assembled long-chain diacyl phosphatidylcholine/SiO(2) films. Phase diagrams for NaTDC/didecanoyl phosphatidylcholine/SiO(2) and NaTDC/egg phosphatidylcholine/SiO(2) films were investigated through grazing-incidence small-angle X-ray scattering at a synchrotron source. C1 [Dunphy, Darren R.; Garcia, Fred L.; Brinker, C. Jeffrey] Univ New Mexico, NSF Ctr Microengineered Mat, Chem & Nucl Engn Dept, Albuquerque, NM USA. [Jiang, Zhang; Strzalka, Joseph; Wang, Jin] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Brinker, C. Jeffrey] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. RP Brinker, CJ (reprint author), Univ New Mexico, NSF Ctr Microengineered Mat, Chem & Nucl Engn Dept, Albuquerque, NM USA. EM cjbrink@sandia.gov RI Jiang, Zhang/A-3297-2012 OI Jiang, Zhang/0000-0003-3503-8909 FU Department of Energy [DE-AC02-06CH11357]; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Use of the APS is supported by the Department of Energy under contract DE-AC02-06CH11357. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. Eric Carnes and Robert Castillo are thanked for their assistance with CDA. NR 12 TC 1 Z9 1 U1 0 U2 6 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 6 BP 1806 EP 1808 DI 10.1039/c0cc03919e PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 711YZ UT WOS:000286629500042 PM 21135947 ER PT J AU Yang, H Mercado, BQ Jin, HX Wang, ZM Jiang, A Liu, ZY Beavers, CM Olmstead, MM Balch, AL AF Yang, Hua Mercado, Brandon Q. Jin, Hongxiao Wang, Zhimin Jiang, An Liu, Ziyang Beavers, Christine M. Olmstead, Marilyn M. Balch, Alan L. TI Fullerenes without symmetry: crystallographic characterization of C-1(30)-C-90 and C-1(32)-C-90 SO CHEMICAL COMMUNICATIONS LA English DT Article ID C-90 FULLERENES; STABLE ISOMERS; SC3N-AT-C-78 AB Fullerenes are generally considered as highly symmetric, yet fullerene isomers with only C-1 symmetry, such as C-1(30)-C-90 and C-1(32)-C-90 whose structures are reported here, become increasingly numerous as fullerene size increases. C1 [Yang, Hua; Jin, Hongxiao; Wang, Zhimin; Jiang, An; Liu, Ziyang] Zhejiang Univ, Dept Chem, Hangzhou 310027, Zhejiang, Peoples R China. [Mercado, Brandon Q.; Olmstead, Marilyn M.; Balch, Alan L.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [Beavers, Christine M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Liu, ZY (reprint author), Zhejiang Univ, Dept Chem, Hangzhou 310027, Zhejiang, Peoples R China. EM zyliu@zju.edu.cn; cmbeavers@lbl.gov; mmolmstead@ucdavis.edu; albalch@ucdavis.edu RI Beavers, Christine/C-3539-2009 OI Beavers, Christine/0000-0001-8653-5513 FU National Natural Science Foundation of China [20971108]; Natural Science Foundation of Zhejiang Province of China [Y4090430]; National Science Foundation [CHE-0716843]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX Z.L. thanks the National Natural Science Foundation of China (20971108), Z.W. thanks Natural Science Foundation of Zhejiang Province of China (Y4090430), and A. L. B and M.M.O. thank the National Science Foundation (CHE-0716843) for support. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 20 TC 22 Z9 23 U1 1 U2 16 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 7 BP 2068 EP 2070 DI 10.1039/c0cc03017a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 713VX UT WOS:000286766600035 PM 21140021 ER PT J AU Park, CM Jeon, KJ AF Park, Cheol-Min Jeon, Ki-Joon TI Porous structured SnSb/C nanocomposites for Li-ion battery anodes SO CHEMICAL COMMUNICATIONS LA English DT Article ID RECHARGEABLE LITHIUM BATTERIES; ELECTRODE MATERIALS; ELECTROCHEMICAL PERFORMANCE; SECONDARY BATTERIES; INSERTION ELECTRODE; TIN PHOSPHIDE; COMPOSITE; MECHANISM; POWDERS; SN AB Here, we report a simple, cheap, and rapid synthesis method combined with physical and chemical routes for porous structured metal-based carbon nanocomposites, which can be applicable to anode materials for high performance Li-ion batteries. C1 [Park, Cheol-Min] Kumoh Natl Inst Technol, Sch Adv Mat & Syst Engn, Gumi 730701, Gyeongbuk, South Korea. [Park, Cheol-Min; Jeon, Ki-Joon] Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Park, CM (reprint author), Kumoh Natl Inst Technol, Sch Adv Mat & Syst Engn, Gumi 730701, Gyeongbuk, South Korea. EM cmpark@kumoh.ac.kr; jewni58@gmail.com OI Park, Cheol-Min/0000-0001-8204-5760 NR 32 TC 42 Z9 43 U1 6 U2 62 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 7 BP 2122 EP 2124 DI 10.1039/c0cc03366a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 713VX UT WOS:000286766600053 PM 21180761 ER PT J AU Mal, SS Stephens, FH Baker, RT AF Mal, Sib Sankar Stephens, Frances H. Baker, R. Tom TI Transition metal catalysed dehydrogenation of amine-borane fuel blends SO CHEMICAL COMMUNICATIONS LA English DT Article ID CHEMICAL HYDROGEN STORAGE; MOLECULAR-WEIGHT POLYAMINOBORANES; B-TRISUBSTITUTED BORAZINES; AMMONIA-BORANE; ADDUCTS; HETEROCYCLES; EFFICIENT AB Mixtures containing ammonia-borane and sec-butylamine-borane remain liquid throughout the hydrogen release process that affords tri(N-sec-butyl)borazine and polyborazylene. Concentrated solutions with metal catalysts afford >5 wt% H(2) in 1 h at 80 degrees C and addition of (EMIM)EtSO(4) ionic liquid co-solvent eliminates competing formation of insoluble linear poly(aminoborane) (EMIM = 1-ethyl-3-methyl-imidazolium). C1 [Mal, Sib Sankar; Baker, R. Tom] Univ Ottawa, Dept Chem, Ottawa, ON K1N 6N5, Canada. [Mal, Sib Sankar; Baker, R. Tom] Univ Ottawa, Ctr Catalysis Res & Innovat, Ottawa, ON K1N 6N5, Canada. [Stephens, Frances H.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Baker, RT (reprint author), Univ Ottawa, Dept Chem, Ottawa, ON K1N 6N5, Canada. EM rbaker@uottawa.ca FU US Department of Energy, Energy Efficiency and Renewable Energy office FX We thank the US Department of Energy, Energy Efficiency and Renewable Energy office for support of this work through the Chemical Hydrogen Storage Center of Excellence, the University of Ottawa's NMR core facility and Dr William R. H. Wright for technical assistance. NR 32 TC 39 Z9 39 U1 2 U2 29 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 10 BP 2922 EP 2924 DI 10.1039/c0cc03585h PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 723TT UT WOS:000287530700049 PM 21258748 ER PT J AU Fang, XK Luban, M AF Fang, Xikui Luban, Marshall TI {Mn14W48} aggregate: the perspective of isopolyanions as ligands SO CHEMICAL COMMUNICATIONS LA English DT Article ID MANGANESE CARBOXYLATE; POLYOXOMETALATE; CLUSTER; ANION AB The assembly of a tetradeca-manganese magnetic cluster [Mn14W48O192H20](26-), containing two high spin Mn-7 cores and supported exclusively by isopolytungstate ligands, demonstrates the promising perspective of using "defect'' isopolyanions as ligands/synthons to construct large aggregated structures and model the surface deposition of molecular magnets. C1 [Fang, Xikui] US DOE, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Fang, XK (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM xfang@ameslab.gov FU U.S. Department of Energy [DE-AC02-07CH11358] FX We are grateful to Dr Gordon Miller for allowing us access to X-ray facilities and Kevin W. Dennis for assistance with SQUID measurements. Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. NR 34 TC 26 Z9 26 U1 2 U2 10 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 11 BP 3066 EP 3068 DI 10.1039/c0cc04403b PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 728HL UT WOS:000287865100007 PM 21308138 ER PT J AU Hanifi, D Cao, D Klivansky, LM Liu, Y AF Hanifi, David Cao, Dennis Klivansky, Liana M. Liu, Yi TI Novel C-3-symmetric n-type tris(aroyleneimidazole) and its analogs: synthesis, physical properties and self-assembly SO CHEMICAL COMMUNICATIONS LA English DT Article ID DISCOTIC LIQUID-CRYSTALS; HEXA-PERI-HEXABENZOCORONENE; FIELD-EFFECT TRANSISTORS; HIGH-ELECTRON-MOBILITY; DIIMIDE SEMICONDUCTORS; TETRACARBOXYLIC DIIMIDE; TRIPHENYLENE; NANORIBBONS; CHEMISTRY; MESOGENS AB Novel n-type C-3-symmetric materials are synthesized and shown to have desirable bandgap, broad absorption and high thermal stability, thus pose as viable candidates for organic photovoltaics. The strong intermolecular interactions among the extended pi-surfaces beget the self-assembly of nanofibers. C1 [Hanifi, David; Cao, Dennis; Klivansky, Liana M.; Liu, Yi] Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Liu, Y (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. EM yliu@lbl.gov RI Liu, yi/A-3384-2008; Cao, Dennis/C-2240-2013 OI Liu, yi/0000-0002-3954-6102; Cao, Dennis/0000-0002-0315-1619 FU Office of Science, Office of Basic Energy Sciences, of the U. S. Department of Energy [DE-AC02-05 CH11231] FX This work was performed at the Molecular Foundry, Lawrence Berkeley National Laboratory, and was supported by the Office of Science, Office of Basic Energy Sciences, of the U. S. Department of Energy under contract No. DE-AC02-05 CH11231. NR 42 TC 11 Z9 11 U1 1 U2 26 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 12 BP 3454 EP 3456 DI 10.1039/c0cc04753h PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 731DD UT WOS:000288085600032 PM 21298190 ER PT J AU Jeon, KJ Lee, Z AF Jeon, Ki-Joon Lee, Zonghoon TI Size-dependent interaction of Au nanoparticles and graphene sheet SO CHEMICAL COMMUNICATIONS LA English DT Article ID CARBON NANOTUBES; ROOM-TEMPERATURE; NANOCOMPOSITES; OXIDE AB We report enhancement of the mechanical stability of graphene through a one-step method to disperse gold nanoparticles on the pristine graphene without any added agent. C1 [Jeon, Ki-Joon] Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Lee, Zonghoon] Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Lee, Zonghoon] UNIST, Sch Mech & Adv Mat Engn, Ulsan 689798, South Korea. RP Jeon, KJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM jewni58@gmail.com; zonghoon.lee@gmail.com RI Lee, Zonghoon/G-1474-2011 OI Lee, Zonghoon/0000-0003-3246-4072 FU US Department of Energy [DE-AC02-05CH11231] FX This work was supported by the National Center for Electron Microscopy, Lawrence Berkeley Lab, which is supported by the US Department of Energy under Contract # DE-AC02-05CH11231. NR 19 TC 28 Z9 28 U1 1 U2 40 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 12 BP 3610 EP 3612 DI 10.1039/c0cc05167e PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 731DD UT WOS:000288085600084 PM 21290058 ER PT J AU Wells, SM Polemi, A Lavrik, NV Shuford, KL Sepaniak, MJ AF Wells, Sabrina M. Polemi, Alessia Lavrik, Nickolay V. Shuford, Kevin L. Sepaniak, Michael J. TI Efficient disc on pillar substrates for surface enhanced Raman spectroscopy SO CHEMICAL COMMUNICATIONS LA English DT Article ID OPTICAL-PROPERTIES; METAL NANOPARTICLES; SINGLE-MOLECULE; SCATTERING SERS; SILVER AB In this work, geometrical optimizations of Ag disc on pillar (DOP) hybrid plasmonic nanostructures were conducted and allowed us to achieve reproducible average enhancement factors of 1 x 10(9) and greater. C1 [Wells, Sabrina M.; Sepaniak, Michael J.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Polemi, Alessia; Shuford, Kevin L.] Drexel Univ, Dept Chem, Philadelphia, PA 19104 USA. [Lavrik, Nickolay V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Sepaniak, MJ (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM lavriknv@ornl.gov; shuford@drexel.edu; msepaniak@utk.edu RI Shuford, Kevin/L-2435-2014; Lavrik, Nickolay/B-5268-2011; OI Lavrik, Nickolay/0000-0002-9543-5634; POLEMI, Alessia/0000-0002-3620-6073 FU Oak Ridge National Laboratory by the Scientific User Facilities Division, U.S. Department of Energy; Drexel University FX In summary, we demonstrate that DOP hybrid nanostructures, singularly or in N-by-N arrays, can be tuned to provide exceptional SERS enhancements that correlate with previous numerical simulations14 and can be explained by the general model of constructive interference enhanced SERS.19-21 These pillars also represent SERS substrates that have good reproducibility (better than 7% for a single pillar) without sacrificing enhancement. Once optimized to the 633 nm laser, a single DOP nanostructure exhibited an EF of 4 x 109 for BT. Also, total intensity of SERS-signal can be increased to lower the detection limit for analytes by fabricating compact DOP arrays. Aside from good reproducibility and sensitivity, DOP systems offer other analytical benefits such as robustness, reusability, and fluidic compatibility. Although modeling of these systems has been performed, 14 further modeling and experiments are needed to elucidate what morphological features contribute most significantly to the extremely high average EFs observed. A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, U.S. Department of Energy. K.L.S. thanks Drexel University for start-up funding. NR 24 TC 14 Z9 14 U1 0 U2 30 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 13 BP 3814 EP 3816 DI 10.1039/c0cc05577h PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 735AU UT WOS:000288386600030 PM 21321706 ER PT J AU Johnson, RS Finnegan, PS Wheeler, DR Dirk, SM AF Johnson, Ross S. Finnegan, Patrick S. Wheeler, David R. Dirk, Shawn M. TI Photopatterning poly(p-phenylenevinylene) from xanthate precursor polymers SO CHEMICAL COMMUNICATIONS LA English DT Article ID FIELD OPTICAL LITHOGRAPHY; CONJUGATED POLYMERS; ORGANIC SEMICONDUCTORS; LUMINESCENCE; DIELECTRICS; VINYLENE); BEHAVIOR; ROUTE; LIGHT AB A simple, direct method for photopatterning poly(p-phenylenevinylene) (PPV) from a xanthate precursor polymer is presented. The effect of UV exposure on the resultant PPV is examined by UV-Vis, XPS, FTIR, and DC conductivity measurements. By optimizing the photolithographic conditions, a spatial resolution of one micron is obtained, with minimal impact to the properties of the photopatterned PPV. C1 [Johnson, Ross S.; Finnegan, Patrick S.; Dirk, Shawn M.] Sandia Natl Labs, Organ Mat Dept, Albuquerque, NM 87185 USA. [Wheeler, David R.] Sandia Natl Labs, Biosensors & Nanomat, Albuquerque, NM 87185 USA. RP Dirk, SM (reprint author), Sandia Natl Labs, Organ Mat Dept, POB 5800, Albuquerque, NM 87185 USA. EM smdirk@sandia.gov FU Sandia National Laboratories; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We would like to thank Michael Brumbach for assistance with XPS and Bonnie McKenzie for assistance with SEM. This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 27 TC 11 Z9 11 U1 1 U2 16 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 13 BP 3936 EP 3938 DI 10.1039/c1cc00090j PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 735AU UT WOS:000288386600071 PM 21350769 ER PT J AU Brasse, M Ellman, JA Bergman, RG AF Brasse, Mikael Ellman, Jonathan A. Bergman, Robert G. TI A facile, metal- and solvent-free, autoxidative coupling of quinolines with indoles and pyrroles SO CHEMICAL COMMUNICATIONS LA English DT Article ID C-H FUNCTIONALIZATION; LEISHMANIA-DONOVANI; UNACTIVATED ARENES; BOND FORMATION; N-OXIDES; HETEROCYCLES; DERIVATIVES; SCOPE AB A simple, solvent-free, one-pot autoxidative coupling reaction between quinoline and indoles or pyrroles is reported. This atom economic method requires only a stoichiometric amount of inexpensive hydrochloric acid and does not require a catalyst. C1 [Ellman, Jonathan A.] Yale Univ, Dept Chem, New Haven, CT 06520 USA. [Brasse, Mikael; Bergman, Robert G.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Bergman, Robert G.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Ellman, JA (reprint author), Yale Univ, Dept Chem, 225 Prospect St, New Haven, CT 06520 USA. EM jonathan.ellman@yale.edu; rbergman@berkeley.edu RI Ellman, Jonathan/C-7732-2013 FU NIH [GM069559]; Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division, US Department of Energy [DE-AC02-05CH11231]; European Community FX This work was supported by the NIH grant GM069559 (to J.A.E) and by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division, US Department of Energy under contract DE-AC02-05CH11231 (to R. G. B). M. B. acknowledges the 7th European Community Framework Programme, for a Marie Curie International Outgoing Fellowship, which supported this research. Dr Antonio DiPasquale is acknowledged for the determination of the X-ray structures. NR 43 TC 26 Z9 26 U1 0 U2 17 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 17 BP 5019 EP 5021 DI 10.1039/c1cc10507h PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 750CW UT WOS:000289523000049 PM 21445416 ER PT J AU Kim, JH Kang, SH Zhu, K Kim, JY Neale, NR Frank, AJ AF Kim, Jae-Hun Kang, Soon Hyung Zhu, Kai Kim, Jin Young Neale, Nathan R. Frank, Arthur J. TI Ni-NiO core-shell inverse opal electrodes for supercapacitors SO CHEMICAL COMMUNICATIONS LA English DT Article ID NICKEL-OXIDE FILM; ELECTROCHEMICAL CAPACITORS; PSEUDOCAPACITIVE PROPERTIES; PERFORMANCE; MECHANISM; ROUTE AB A general template-assisted electrochemical approach was used to synthesize three-dimensional ordered Ni core-NiO shell inverse opals (IOs) as electrodes for supercapacitors. The Ni-NiO IO electrodes displayed pseudo-capacitor behavior, good rate capability and cycling performance. C1 [Kim, Jae-Hun; Kang, Soon Hyung; Zhu, Kai; Kim, Jin Young; Neale, Nathan R.; Frank, Arthur J.] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. RP Zhu, K (reprint author), Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. EM Kai.Zhu@nrel.gov; AFrank@nrel.gov RI Kim, Jin Young/B-7077-2012; OI Kim, Jin Young/0000-0001-7728-3182; Kim, Jae-Hun/0000-0001-6537-0350; Kim, Jae-Hun/0000-0002-4252-2590 FU U.S. Department of Energy/National Renewable Energy Laboratory [DE-AC36-08GO28308] FX This work was supported by the U.S. Department of Energy/National Renewable Energy Laboratory's Laboratory Directed Research and Development (LDRD) program under Contract No. DE-AC36-08GO28308. NR 19 TC 112 Z9 113 U1 11 U2 108 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 18 BP 5214 EP 5216 DI 10.1039/c0cc05191h PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 752KH UT WOS:000289689600028 PM 21431122 ER PT J AU Fu, WJ Kiggans, J Overbury, SH Schwartz, V Liang, CD AF Fu, Wujun Kiggans, Jim Overbury, Steven H. Schwartz, Viviane Liang, Chengdu TI Low-temperature exfoliation of multilayer-graphene material from FeCl3 and CH3NO2 co-intercalated graphite compound SO CHEMICAL COMMUNICATIONS LA English DT Article ID RAMAN-SPECTROSCOPY; SHEETS; OXIDE; FILMS; CARBON; NITROMETHANE; REDUCTION AB Microwave induced rapid decomposition of nitromethane at low temperature exfoliates the graphene sheets from the FeCl3 and CH3NO2 co-intercalated graphite compound without creating many defects and functional groups. This approach provides a scalable method for high-quality graphene materials via low-temperature exfoliation of graphite under mild chemical conditions. C1 [Fu, Wujun; Overbury, Steven H.; Schwartz, Viviane; Liang, Chengdu] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA. [Kiggans, Jim] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37830 USA. [Overbury, Steven H.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37830 USA. RP Schwartz, V (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA. EM schwartzv@ornl.gov; liangcn@ornl.gov RI Liang, Chengdu/G-5685-2013; Overbury, Steven/C-5108-2016; kiggans, james/E-1588-2017 OI Overbury, Steven/0000-0002-5137-3961; kiggans, james/0000-0001-5056-665X FU Scientific User Facilities Division, Office of Basic energy Science, U.S. Department of energy FX This research was supported by the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic energy Science, U.S. Department of energy. NR 33 TC 20 Z9 20 U1 7 U2 67 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 18 BP 5265 EP 5267 DI 10.1039/c1cc10508f PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 752KH UT WOS:000289689600045 PM 21461413 ER PT J AU Tian, YM Martin, KE Shelnutt, JYT Evans, L Busani, T Miller, JE Medforth, CJ Shelnutt, JA AF Tian, Yongming Martin, Kathleen E. Shelnutt, Julian Y. -T. Evans, Lindsey Busani, Tito Miller, James E. Medforth, Craig J. Shelnutt, John A. TI Morphological families of self-assembled porphyrin structures and their photosensitization of hydrogen generation SO CHEMICAL COMMUNICATIONS LA English DT Article ID METALLIZATION; NANOTUBES; NANORODS; WATER AB Varying the solution growth conditions of cooperative binary ionic solids composed of anionic and cationic metalloporphyrins produces a series of families of self-assembled structures that efficiently and durably photosensitize the evolution of hydrogen. C1 [Tian, Yongming; Martin, Kathleen E.; Evans, Lindsey; Miller, James E.; Shelnutt, John A.] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87185 USA. [Tian, Yongming; Martin, Kathleen E.; Medforth, Craig J.] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. [Shelnutt, Julian Y. -T.] Albuquerque Acad, Albuquerque, NM USA. [Busani, Tito] Univ Nova Lisboa, CENIMAT I3N, Dept Ciencia Mat, Fac Ciencias & Tecnol, P-2829516 Caparica, Portugal. [Busani, Tito] CEMOP UNINOVA, P-2829516 Caparica, Portugal. [Shelnutt, John A.] Univ Georgia, Dept Chem, Athens, GA 30602 USA. RP Shelnutt, JA (reprint author), Sandia Natl Labs, Adv Mat Lab, POB 5800, Albuquerque, NM 87185 USA. EM jasheln@sandia.gov RI Tian, Yongming/B-9720-2009; Miller, James/C-1128-2011; Medforth, Craig/D-8210-2013; REQUIMTE, FMN/M-5611-2013; REQUIMTE, UCIBIO/N-9846-2013 OI Miller, James/0000-0001-6811-6948; Medforth, Craig/0000-0003-3046-4909; FU Sandia National Laboratories; United States Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering FX Research supported by the Laboratory Directed Research and Development program at Sandia National Laboratories and the United States Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DEAC04-94AL85000. NR 17 TC 24 Z9 25 U1 2 U2 35 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 21 BP 6069 EP 6071 DI 10.1039/c1cc10868a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 764KI UT WOS:000290628000037 PM 21523310 ER PT J AU McRobbie, A Sarwar, AR Yeninas, S Nowell, H Baker, ML Allan, D Luban, M Muryn, CA Pritchard, RG Prozorov, R Timco, GA Tuna, F Whitehead, GFS Winpenny, REP AF McRobbie, Andrew Sarwar, Asad R. Yeninas, Steven Nowell, Harriott Baker, Michael L. Allan, David Luban, Marshall Muryn, Christopher A. Pritchard, Robin G. Prozorov, Ruslan Timco, Grigore A. Tuna, Floriana Whitehead, George F. S. Winpenny, Richard E. P. TI Chromium chains as polydentate fluoride ligands for lanthanides SO CHEMICAL COMMUNICATIONS LA English DT Article ID HORSESHOES AB Hexametallic chromium(III) chains can act as fluoride donor ligands to lanthanide ions giving {(Cr(6))Ln(x)}(n) complexes; preliminary spectroscopic studies are reported. C1 [Yeninas, Steven; Luban, Marshall; Prozorov, Ruslan] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Yeninas, Steven; Luban, Marshall; Prozorov, Ruslan] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [McRobbie, Andrew; Sarwar, Asad R.; Baker, Michael L.; Muryn, Christopher A.; Pritchard, Robin G.; Timco, Grigore A.; Tuna, Floriana; Whitehead, George F. S.; Winpenny, Richard E. P.] Univ Manchester, Lewis Magnetism Lab, Sch Chem, Manchester M13 9PL, Lancs, England. [McRobbie, Andrew; Sarwar, Asad R.; Baker, Michael L.; Muryn, Christopher A.; Pritchard, Robin G.; Timco, Grigore A.; Tuna, Floriana; Whitehead, George F. S.; Winpenny, Richard E. P.] Univ Manchester, Photon Sci Inst, Manchester M13 9PL, Lancs, England. [Nowell, Harriott; Allan, David] Diamond Light Source, Didcot OX11 0DE, Oxon, England. [Baker, Michael L.] Inst Max Von Laue Paul Langevin, F-38042 Grenoble 9, France. RP Prozorov, R (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. EM richard.winpenny@manchester.ac.uk RI Prozorov, Ruslan/A-2487-2008; Baker, Michael/D-1196-2015; Whitehead, George/E-6639-2017 OI Prozorov, Ruslan/0000-0002-8088-6096; Whitehead, George/0000-0003-1949-4250 FU EPSRC (UK); Leverhulme Trust; Royal Society FX This work was supported by the EPSRC (UK), The Leverhulme Trust and by a Royal Society Wolfson Merit Award (to R. E. P. W.). NR 15 TC 35 Z9 35 U1 6 U2 43 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 22 BP 6251 EP 6253 DI 10.1039/c1cc11516b PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 767RR UT WOS:000290874200007 PM 21552574 ER PT J AU Ni, CB Shuh, DK Raymond, KN AF Ni, Chengbao Shuh, David K. Raymond, Kenneth N. TI Uranyl sequestration: synthesis and structural characterization of uranyl complexes with a tetradentate methylterephthalamide ligand SO CHEMICAL COMMUNICATIONS LA English DT Article ID IN-VIVO CHELATION; SEQUESTERING AGENTS; HYDROXYPYRIDINONATE LIGANDS; EFFICACY; MICE; CATECHOLATE; URANIUM(VI); ACTINIDES; TOXICITY; THERAPY AB Uranyl complexes of a bis(methylterephthalamide) ligand (LH(4)) have been synthesized and characterized by X-ray crystallography. The structure is an unexpected [Me(4)N](8)[L(UO(2))](4) tetramer, formed via coordination of the two MeTAM units of L to two uranyl moieties. Addition of KOH to the tetramer gave the corresponding monomeric uranyl methoxide species [Me(4)N]K(2)[LUO(2)(OMe)]. C1 [Ni, Chengbao; Shuh, David K.; Raymond, Kenneth N.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Raymond, Kenneth N.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Raymond, KN (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM raymond@socrates.berkeley.edu RI Ni, Chengbao/C-3586-2011 FU Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy at LBNL [DE-AC02-05CH11231] FX We thank Tiffany A. Pham and Drs. Geza Szigethy, Ga-lai Law, and Christopher M. Andolina for help and discussions. This research is supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy at LBNL under Contract No. DE-AC02-05CH11231. NR 26 TC 10 Z9 10 U1 2 U2 27 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 22 BP 6392 EP 6394 DI 10.1039/c1cc11329a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 767RR UT WOS:000290874200054 PM 21552620 ER PT J AU Szymanski, P Fuke, N Koposov, AY Manner, VW Hoch, LB Sykora, M AF Szymanski, Paul Fuke, Nobuhiro Koposov, Alexey Y. Manner, Virginia W. Hoch, Laura B. Sykora, Milan TI Effect of organic passivation on photoinduced electron transfer across the quantum dot/TiO2 interface SO CHEMICAL COMMUNICATIONS LA English DT Article ID SOLAR-CELLS; TIO2 NANOPARTICLES; CDSE NANOCRYSTALS; DOTS; EFFICIENCY; FILMS; RELAXATION; INJECTION AB We report a study of the internal quantum efficiency (IQE) of CdSe quantum-dot (QD)-sensitized solar cells prepared by direct adsorption of pre-synthesized QDs, passivated with either tri-n-octylphosphine oxide (TOPO) or n-butylamine (BA), onto a nanocrystalline TiO2 film. C1 [Fuke, Nobuhiro] Sharp Co Ltd, Solar Syst Dev Grp, New Technol Dev Ctr, Nara 6392198, Japan. [Szymanski, Paul; Koposov, Alexey Y.; Manner, Virginia W.; Hoch, Laura B.; Sykora, Milan] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Fuke, N (reprint author), Sharp Co Ltd, Solar Syst Dev Grp, New Technol Dev Ctr, 282-1 Hajikami, Nara 6392198, Japan. EM fuke.nobuhiro@sharp.co.jp; sykoram@lanl.gov RI Koposov, Alexey/R-9423-2016 OI Koposov, Alexey/0000-0001-5898-3204 FU Sharp Corporation under the Sharp-Los Alamos National Laboratory [10583.0]; LANL FX This work was supported by Sharp Corporation under the Sharp-Los Alamos National Laboratory CRADA No. 10583.0. P. S. was supported by a LANL Director's Postdoctoral Fellowship. We thank Dr. Fukui of Sharp Corp. for preparing the TiO2 films. NR 18 TC 7 Z9 7 U1 0 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 22 BP 6437 EP 6439 DI 10.1039/c1cc00025j PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 767RR UT WOS:000290874200069 PM 21509399 ER PT J AU Thoi, VS Chang, CJ AF Thoi, V. Sara Chang, Christopher J. TI Nickel N-heterocyclic carbene-pyridine complexes that exhibit selectivity for electrocatalytic reduction of carbon dioxide over water SO CHEMICAL COMMUNICATIONS LA English DT Article ID ELECTROCHEMICAL REDUCTION; COPPER COMPLEX; CO2 REDUCTION; COBALT; PORPHYRINS; PHTHALOCYANINE; PHOTOREDUCTION; MACROCYCLES; CONVERSION; CATALYSIS AB We report a homologous series of nickel(II) complexes supported by N-heterocyclic carbene-pyridine ((R)bimpy, R = Me, Et, Pr) ligands that exhibit high selectivity for reducing carbon dioxide over water under electrocatalytic conditions. C1 [Thoi, V. Sara; Chang, Christopher J.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Thoi, V. Sara; Chang, Christopher J.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Thoi, V. Sara; Chang, Christopher J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Chang, CJ (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM chrischang@berkeley.edu FU DOE/LBNL [403801]; Office of Science, Office of Basic Energy Sciences, Department of Energy [51HE112B, DE-AC02-05CH11231]; NSF FX This work was supported by DOE/LBNL Grant 403801 as well as the Helios Solar Energy Research Center (SERC, 51HE112B), which is supported by the Director, Office of Science, Office of Basic Energy Sciences, Department of Energy, under Contract No. DE-AC02-05CH11231. C.J.C. is an Investigator with the Howard Hughes Medical Institute. V. S. T. thanks the NSF for a graduate research fellowship. NR 27 TC 50 Z9 50 U1 11 U2 100 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 23 BP 6578 EP 6580 DI 10.1039/c1cc10449g PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 770UC UT WOS:000291113000015 PM 21556400 ER PT J AU Motkuri, RK Thallapally, PK Nune, SK Fernandez, CA McGrail, BP Atwood, JL AF Motkuri, Radha Kishan Thallapally, Praveen K. Nune, Satish K. Fernandez, Carlos A. McGrail, B. Peter Atwood, Jerry L. TI Role of hydrocarbons in pore expansion and contraction of a flexible metal-organic framework SO CHEMICAL COMMUNICATIONS LA English DT Article ID SEPARATION APPLICATIONS; STRUCTURAL TRANSITION; ADSORPTION; MIL-53; CAPTURE; THERMODYNAMICS; TEMPERATURE; ISOMERS; GAS; CO2 AB A metal-organic framework obtained from a flexible organic linker shows a breathing phenomenon upon adsorption of saturated hydrocarbons. C1 [Motkuri, Radha Kishan; Thallapally, Praveen K.; Nune, Satish K.; Fernandez, Carlos A.; McGrail, B. Peter] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. [Atwood, Jerry L.] Univ Missouri Columbia, Columbia, MO USA. RP Thallapally, PK (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. EM Praveen.thallapally@pnl.gov RI Motkuri, Radha/F-1041-2014; thallapally, praveen/I-5026-2014 OI Motkuri, Radha/0000-0002-2079-4798; thallapally, praveen/0000-0001-7814-4467 FU US-DOE-EERE; Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [KC020105-FWP12152]; U.S. Department of Energy [DE-AC05-76RL01830] FX This research was supported by the US-DOE-EERE through the Geothermal Technologies Program and partially supported by Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award KC020105-FWP12152 by The Pacific Northwest National Laboratory operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830. NR 34 TC 18 Z9 18 U1 4 U2 33 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 25 BP 7077 EP 7079 DI 10.1039/c1cc11738f PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 777KC UT WOS:000291613400013 PM 21614396 ER PT J AU Wang, XJ Chen, HY Yu, XQ Wu, LJ Nam, KW Bai, JM Li, H Huang, XJ Yang, XQ AF Wang, Xiao-Jian Chen, Hai-Yan Yu, Xiqian Wu, Lijun Nam, Kyung-Wan Bai, Jianming Li, Hong Huang, Xuejie Yang, Xiao-Qing TI A new in situ synchrotron X-ray diffraction technique to study the chemical delithiation of LiFePO4 SO CHEMICAL COMMUNICATIONS LA English DT Article ID LI-ION BATTERIES; LITHIUM BATTERIES; ELECTRODE MATERIALS; ABSORPTION; CELL; SPECTROSCOPY; PERFORMANCE; FE AB We report a new synchrotron based in situ X-ray diffraction (XRD) technique to study the chemical delithiation of LiFePO4. This technique provides a new powerful tool to study chemical reactions with excellent time-resolving power for dynamic studies. C1 [Wang, Xiao-Jian; Yu, Xiqian; Wu, Lijun; Nam, Kyung-Wan; Yang, Xiao-Qing] Brookhaven Natl Lab, Upton, NY 11973 USA. [Chen, Hai-Yan] New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA. [Bai, Jianming] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Li, Hong; Huang, Xuejie] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. RP Yang, XQ (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM xyang@bnl.gov RI Nam, Kyung-Wan Nam/G-9271-2011; Chen, Haiyan/C-8109-2012; Li, Hong/C-4643-2008; Nam, Kyung-Wan/B-9029-2013; Nam, Kyung-Wan/E-9063-2015; Bai, Jianming/O-5005-2015; Yu, Xiqian/B-5574-2014 OI Li, Hong/0000-0002-8659-086X; Nam, Kyung-Wan/0000-0001-6278-6369; Nam, Kyung-Wan/0000-0001-6278-6369; Yu, Xiqian/0000-0001-8513-518X FU U.S. Department of Energy, the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies [DEAC02-98CH10886]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001294] FX This work is supported by the U.S. Department of Energy, the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies, under the Vehicle Technology Program, under Contract Number DEAC02-98CH10886. Xiaojian Wang is supported by the Northeastern Center for Chemical Energy Storage, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract Number DE-SC0001294. NR 24 TC 19 Z9 21 U1 8 U2 88 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 25 BP 7170 EP 7172 DI 10.1039/c1cc10870k PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 777KC UT WOS:000291613400044 PM 21607238 ER PT J AU Zendejas, FJ Meagher, RJ Stachowiak, JC Hayden, CC Sasaki, DY AF Zendejas, Frank J. Meagher, Robert J. Stachowiak, Jeanne C. Hayden, Carl C. Sasaki, Darryl Y. TI Orienting lipid domains in giant vesicles using an electric field SO CHEMICAL COMMUNICATIONS LA English DT Article ID INDUCED CONCENTRATION GRADIENTS; MONOLAYERS; MEMBRANE; PROTEIN; ELECTROPHORESIS; MOVEMENT; BILAYERS AB Directing the orientation of molecular assemblies is a key step toward creating complex hierarchical structures that yield higher order functional materials. Here, we demonstrate the directed orientation of functionalized lipid domains and protein-membrane assemblies, using an electric field. C1 [Zendejas, Frank J.; Meagher, Robert J.; Stachowiak, Jeanne C.; Hayden, Carl C.; Sasaki, Darryl Y.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Sasaki, DY (reprint author), Sandia Natl Labs, POB 969, Livermore, CA 94551 USA. EM dysasak@sandia.gov FU US Department of Energy, Division of Materials Sciences and Engineering; Division of Chemical Sciences, Geosciences, and Biosciences; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Research for this work was supported by the US Department of Energy, Division of Materials Sciences and Engineering (chemical synthesis and materials preparation and characterization) and the Division of Chemical Sciences, Geosciences, and Biosciences (fluorescence imaging). The his6-GFP protein was a generous gift of Dan Fletcher's laboratory at UC Berkeley, where it was prepared by Dr Ross Rounsevell. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 24 TC 3 Z9 3 U1 2 U2 11 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 26 BP 7320 EP 7322 DI 10.1039/c1cc11440a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 780AM UT WOS:000291823400004 PM 21519626 ER PT J AU Jiang, XM Jiang, YB Brinker, CJ AF Jiang, Xingmao Jiang, Ying-Bing Brinker, C. Jeffrey TI Hydrothermal synthesis of monodisperse single-crystalline alpha-quartz nanospheres SO CHEMICAL COMMUNICATIONS LA English DT Article ID SUPERCRITICAL AQUEOUS FLUIDS; AMORPHOUS SILICA; BETA-QUARTZ; GROWTH; TEMPERATURE; PARTICLES; PRESSURE; POWDERS; GLASS AB Uniformly-sized, single-crystal alpha-quartz nanospheres have been synthesized at 200 degrees C and 15 atm under continuous stirring starting from uniform, amorphous Stober silica colloids and using NaCl and alkali hydroxide as mineralizers. Quartz nanosphere size is controlled by the colloid particle size via direct devitrification. Uniform, high-purity nanocrystalline quartz is important for understanding nanoparticle toxicology and for advanced polishing and nanocomposite fabrication. C1 [Jiang, Xingmao; Jiang, Ying-Bing; Brinker, C. Jeffrey] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. [Jiang, Xingmao; Jiang, Ying-Bing; Brinker, C. Jeffrey] Univ New Mexico, Ctr Microengineered Mat, Albuquerque, NM 87131 USA. [Jiang, Xingmao] Changzhou Univ, Key Lab Fine Petrochem Engn, Changzhou 213164, Peoples R China. [Brinker, C. Jeffrey] Sandia Natl Labs, Albuquerque, NM 87106 USA. RP Brinker, CJ (reprint author), Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. EM cjbrink@sandia.gov RI jiang, xingmao /H-3554-2013 FU National Science Foundation NSF [NSF: EF-0830117]; NIH [NIH: U19 ES019528, PHS 2 PN2 EY016570B]; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by National Science Foundation NSF: EF-0830117, NIH: U19 ES019528 (UCLA Center for Nanobiology and Predictive Toxicology) and the NIH/Roadmap for Medical Research grant PHS 2 PN2 EY016570B. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 20 TC 11 Z9 11 U1 5 U2 42 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 26 BP 7524 EP 7526 DI 10.1039/c1cc11115a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 780AM UT WOS:000291823400072 PM 21629887 ER PT J AU Borman, CJ Custelcean, R Hay, BP Bill, NL Sessler, JL Moyer, BA AF Borman, Christopher J. Custelcean, Radu Hay, Ben P. Bill, Nathan L. Sessler, Jonathan L. Moyer, Bruce A. TI Supramolecular organization of calix[4]pyrrole with a methyl-trialkylammonium anion exchanger leads to remarkable reversal of selectivity for sulfate extraction vs. nitrate SO CHEMICAL COMMUNICATIONS LA English DT Article ID RECEPTOR; BINDING AB meso-Octamethylcalix[4]pyrrole (C4P) enhances sulfate selectivity in solvent extraction by Aliquat (R) 336N, an effect ascribed to the supramolecular preorganization and thermodynamic stability imparted by insertion of the methyl group of the Aliquat cation into the cup of C4P in its cone conformation. C1 [Borman, Christopher J.; Custelcean, Radu; Hay, Ben P.; Moyer, Bruce A.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Bill, Nathan L.; Sessler, Jonathan L.] Univ Texas Austin, Dept Chem & Biochem, Inst Cellular & Mol Biol, Austin, TX 78712 USA. [Sessler, Jonathan L.] Yonsei Univ, Dept Chem, Seoul 120749, South Korea. RP Moyer, BA (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM moyerba@ornl.gov RI Custelcean, Radu/C-1037-2009; Moyer, Bruce/L-2744-2016; OI Custelcean, Radu/0000-0002-0727-7972; Moyer, Bruce/0000-0001-7484-6277; Bill, Nathan/0000-0001-9432-3182 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy; Robert A. Welch Foundation [F-1018]; Korean WCU [R32-2010-10217-0] FX This research was sponsored by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. Support from the Robert A. Welch Foundation (grant F-1018 to J.L.S.) and the Korean WCU program (grant R32-2010-10217-0 to J.L.S.) is also acknowledged. NR 17 TC 22 Z9 22 U1 2 U2 30 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 27 BP 7611 EP 7613 DI 10.1039/c1cc12060c PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 783WB UT WOS:000292113700007 PM 21670808 ER PT J AU Tian, J Ma, SQ Thallapally, PK Fowler, D McGrail, BP Atwood, JL AF Tian, Jian Ma, Shengqian Thallapally, Praveen K. Fowler, Drew McGrail, B. Peter Atwood, Jerry L. TI Cucurbit[7]uril: an amorphous molecular material for highly selective carbon dioxide uptake SO CHEMICAL COMMUNICATIONS LA English DT Article ID ZEOLITIC IMIDAZOLATE FRAMEWORKS; POROUS MATERIAL; GAS-ADSORPTION; CAPTURE; STORAGE; CO2; TEMPERATURE; STABILITY; POROSITY; SORPTION AB Cucurbit[7]uril (CB[7]), in its amorphous solid state, shows one of the highest CO(2) sorption capacities among known organic porous materials at 298 K and 0.1 and 1 bar. In addition to the highest CO(2) capacity, CB[7] also shows remarkable selectivity of CO(2) over N(2) and CH(4). These properties, along with the existence of readily available precursors, indicate amorphous CB[7] might find applications in recycling CO(2) particularly considering the easy synthesis and potentially low manufacturing costs. C1 [Tian, Jian; Thallapally, Praveen K.; McGrail, B. Peter] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. [Ma, Shengqian] Univ S Florida, Dept Chem, Tampa, FL 33620 USA. [Fowler, Drew; Atwood, Jerry L.] Univ Missouri, Dept Chem, Columbia, MO 65211 USA. RP Thallapally, PK (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. EM Praveen.Thallapally@pnl.gov; atwoodj@missouri.edu RI Tian, Jian/I-8637-2012; Ma, Shengqian/B-4022-2012; thallapally, praveen/I-5026-2014 OI Ma, Shengqian/0000-0002-1897-7069; thallapally, praveen/0000-0001-7814-4467 FU Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [KC020105-FWP12152]; DOE [DE-AC05-76RL01830] FX We acknowledge US Department of Energy, Office of Fossil Energy and partially supported by Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award KC020105-FWP12152. PNNL is a multi program national laboratory operated for DOE by Battelle under Contract DE-AC05-76RL01830. NR 40 TC 45 Z9 46 U1 1 U2 34 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 27 BP 7626 EP 7628 DI 10.1039/c1cc12689j PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 783WB UT WOS:000292113700012 PM 21660359 ER PT J AU Schnaars, DD Batista, ER Gaunt, AJ Hayton, TW May, I Reilly, SD Scott, BL Wu, G AF Schnaars, David D. Batista, Enrique R. Gaunt, Andrew J. Hayton, Trevor W. May, Iain Reilly, Sean D. Scott, Brian L. Wu, Guang TI Differences in actinide metal-ligand orbital interactions: comparison of U(IV) and Pu(IV) beta-ketoiminate N,O donor complexes SO CHEMICAL COMMUNICATIONS LA English DT Article AB Syntheses and characterization of UCl2((Ar)acnac)(2), UI2((Ar)acnac)(2), and PuI2((Ar)acnac)(2) are reported ((Ar)acnac denotes a bis-phenyl beta-ketoiminate ligand where Ar = 3,5-(Bu2C6H3)-Bu-t). Structural analyses and computations show significant metal-ligand orbital interaction differences in U(IV) vs. Pu(IV) bonding. C1 [Batista, Enrique R.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Schnaars, David D.; Hayton, Trevor W.; Wu, Guang] Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA. [Schnaars, David D.; Gaunt, Andrew J.; May, Iain; Reilly, Sean D.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Scott, Brian L.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Batista, ER (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM erb@lanl.gov; gaunt@lanl.gov; hayton@chem.ucsb.edu RI Scott, Brian/D-8995-2017; OI Scott, Brian/0000-0003-0468-5396; Gaunt, Andrew/0000-0001-9679-6020 FU LANL; U.S. Department of Energy, Office of Science [DE-AC52-06NA25396] FX We thank the University of California, Santa Barbara, and the University of California Laboratory Fees Program. D.D.S. thanks the Seaborg Institute Summer Research Fellowship Program at LANL. A.J.G./S.D.R. thank the U.S. Department of Energy, Office of Science, Early Career Research Program (contract DE-AC52-06NA25396). E.R.B./I.M. thank the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Heavy Element Chemistry Research Program. NR 10 TC 17 Z9 17 U1 1 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 27 BP 7647 EP 7649 DI 10.1039/c1cc12409a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 783WB UT WOS:000292113700019 PM 21655591 ER PT J AU Ha, JW Sun, W Wang, GF Fang, N AF Ha, Ji Won Sun, Wei Wang, Gufeng Fang, Ning TI Differential interference contrast polarization anisotropy for tracking rotational dynamics of gold nanorods SO CHEMICAL COMMUNICATIONS LA English DT Article ID ORIENTATION SENSORS; ELECTRIC-FIELDS; SINGLE-MOLECULE; MICROSCOPY; NANOPARTICLES; MICROTUBULES AB We describe differential interference contrast (DIC) polarization anisotropy for tracking rotational dynamics of gold nanorod (AuNR) probes. DIC polarization anisotropy enabled us to reveal the unidirectional clockwise circular translocation of an AuNR attached to a kinesin-driven microtubule and to precisely determine the real-time orientation of the AuNR during the dynamic process. C1 [Fang, Ning] US DOE, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Fang, N (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM nfang@iastate.edu RI Wang, Gufeng/B-3972-2011; Fang, Ning/A-8456-2011 FU US Department of Energy, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division; US Department of Energy [DE-AC02-07CH11358] FX This work was supported by US Department of Energy, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. The Ames Laboratory is operated for the US Department of Energy by Iowa State University under contract no. DE-AC02-07CH11358. NR 19 TC 25 Z9 26 U1 0 U2 14 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 27 BP 7743 EP 7745 DI 10.1039/c1cc11679g PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 783WB UT WOS:000292113700051 PM 21647523 ER PT J AU Lu, GH Yu, KH Ocola, LE Chen, JH AF Lu, Ganhua Yu, Kehan Ocola, Leonidas E. Chen, Junhong TI Ultrafast room temperature NH3 sensing with positively gated reduced graphene oxide field-effect transistors SO CHEMICAL COMMUNICATIONS LA English DT Article ID MOLECULES; SENSORS AB Reduced graphene oxide (R-GO) under a positive gate potential (n-type conductance) exhibits an instantaneous response and fast recovery for NH3 sensing, far superior to the performance in p-mode at zero/negative gate potential. Our findings have important implications for fast, repeatable, room temperature gas detection using graphene/R-GO. C1 [Lu, Ganhua; Yu, Kehan; Chen, Junhong] Univ Wisconsin, Dept Mech Engn, Milwaukee, WI 53211 USA. [Ocola, Leonidas E.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Chen, JH (reprint author), Univ Wisconsin, Dept Mech Engn, Milwaukee, WI 53211 USA. EM jhchen@uwm.edu RI Yu, Kehan/H-3833-2011; Lu, Ganhua/B-4643-2010; OI Lu, Ganhua/0000-0003-3279-8427; Ocola, Leonidas/0000-0003-4990-1064 FU NSF [CMMI-0900509]; U.S. DOE [DE-AC02-06CH11357]; UWM Research Foundation FX This work was supported by the NSF(CMMI-0900509). The authors thank Dr R. S. Ruoff for providing the R-GO samples. SEM was performed in the UWM EM Lab. Sensor electrodes were fabricated at CNM of ANL, which is supported by U.S. DOE (DE-AC02-06CH11357). G.H.L. thanks UWM Research Foundation for a fellowship. NR 23 TC 37 Z9 37 U1 3 U2 33 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 27 BP 7761 EP 7763 DI 10.1039/c1cc12658j PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 783WB UT WOS:000292113700057 PM 21643620 ER PT J AU Levitskaia, TG Chen, YS Fulton, JL Sinkov, SI AF Levitskaia, Tatiana G. Chen, Yongsheng Fulton, John L. Sinkov, Sergei I. TI Neodymium(III) complexation by amino-carbohydrates via a ligand-controlled hydrolysis mechanism SO CHEMICAL COMMUNICATIONS LA English DT Article ID LANTHANIDE-HYDROXO COMPLEXES; HYPERSENSITIVE TRANSITIONS; OSCILLATOR-STRENGTH; CHITOSAN CHEMISTRY; HEAVY-METALS; IONS; COORDINATION; EQUILIBRIA; STABILITY; SORBENTS AB Chelation of Nd(3+) by D-glucosamine (DGA) and chitosan was investigated in solution at near-physiological pH and ionic strength. This research demonstrates the first example of the lanthanide ion heteroleptic hydroxo-carbohydrate complex in solution. Amino-carbohydrates DGA and chitosan suppressed formation of polynuclear Nd(3+) species at elevated pH. C1 [Levitskaia, Tatiana G.; Chen, Yongsheng; Fulton, John L.; Sinkov, Sergei I.] Pacific NW Natl Lab, Richland, WA 99337 USA. RP Levitskaia, TG (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN P7-25, Richland, WA 99337 USA. EM Tatiana.levitskaia@pnl.gov RI Chen, Yongsheng/P-4800-2014 FU U.S. Department of Energy (US DOE) [DE-AC05-76RL01830]; US DOE-BES; NSERC (Canada) FX This research was supported by the LDRD Program at Pacific Northwest National Laboratory operated by Battelle for the U.S. Department of Energy (US DOE) under contract No. DE-AC05-76RL01830. Work at APS sector 20 and research at its facilities is supported by the US DOE-BES, NSERC (Canada) and its founding institutions. NR 38 TC 1 Z9 1 U1 2 U2 19 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 28 BP 8160 EP 8162 DI 10.1039/c1cc11871d PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 801TS UT WOS:000293464100076 PM 21681326 ER PT J AU Juan-Alcaniz, J Goesten, M Martinez-Joaristi, A Stavitski, E Petukhov, AV Gascon, J Kapteijn, F AF Juan-Alcaniz, Jana Goesten, Maarten Martinez-Joaristi, Alberto Stavitski, Eli Petukhov, Andrei V. Gascon, Jorge Kapteijn, Freek TI Live encapsulation of a Keggin polyanion in NH2-MIL-101(Al) observed by in situ time resolved X-ray scattering SO CHEMICAL COMMUNICATIONS LA English DT Article ID METAL-ORGANIC FRAMEWORKS; CRYSTAL-GROWTH; CRYSTALLIZATION; CATALYSTS; CRYSTALLOGRAPHY; ACID AB The templating effect of the Keggin polyanion derived from phosphotungstic acid (PTA) during the synthesis of NH2-MIL-101(Al) has been investigated by means of in situ SAXS/WAXS. Kinetic analysis and structural observations demonstrate that PTA acts as a nucleation site and that it stabilizes the precursor phase NH2-MOF-235(Al). Surprisingly kinetics of formation are little changed. C1 [Juan-Alcaniz, Jana; Goesten, Maarten; Martinez-Joaristi, Alberto; Gascon, Jorge; Kapteijn, Freek] Delft Univ Technol, Catalysis Engn Chem Engn Dept, NL-2628 BL Delft, Netherlands. [Stavitski, Eli] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Petukhov, Andrei V.] Univ Utrecht, Debye Inst Nanomat Sci, Vant Hoff Lab Phys & Colloid Chem, NL-3584 CH Utrecht, Netherlands. RP Juan-Alcaniz, J (reprint author), Delft Univ Technol, Catalysis Engn Chem Engn Dept, Julianalaan 136, NL-2628 BL Delft, Netherlands. EM istavitski@bnl.gov; j.gascon@tudelft.nl RI Juan-Alcaniz, Jana/F-7875-2010; Kapteijn, Frederik /F-2031-2010; Gascon, Jorge/E-8798-2010; Petukhov, Andrei/B-8235-2009; Petukhov van Utrecht, Andrei/F-9477-2010; Stavitski, Eli/C-4863-2009; Group, CE/C-3853-2009; Gascon, Joaquim/M-3598-2015; Institute (DINS), Debye/G-7730-2014 OI Kapteijn, Frederik /0000-0003-0575-7953; Gascon, Jorge/0000-0001-7558-7123; Petukhov, Andrei/0000-0001-9840-6014; Gascon, Joaquim/0000-0002-5045-1585; FU Dutch National Science Foundation (NWO-CW VENI) FX We thank the European Synchrotron Radiation Facility, ESRF, for provision of beamtime and we are grateful to Dr Francois Fauth for his assistance during the experiments at BM16. J.G. gratefully acknowledges the Dutch National Science Foundation (NWO-CW VENI) for financial support. NR 31 TC 42 Z9 42 U1 14 U2 127 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 30 BP 8578 EP 8580 DI 10.1039/c1cc12213d PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 795PT UT WOS:000292986800028 PM 21709859 ER PT J AU Chen, SJ Li, J Dougan, BA Steren, CA Wang, XP Chen, XT Lin, ZY Xue, ZL AF Chen, Shu-Jian Li, Juan Dougan, Brenda A. Steren, Carlos A. Wang, Xiaoping Chen, Xue-Tai Lin, Zhenyang Xue, Zi-Ling TI Unexpected formation of a trinuclear complex containing a Ta(IV)-Ta(IV) bond in the reactions of (BuN)-N-t=Ta(NMe2)(3) with silanes SO CHEMICAL COMMUNICATIONS LA English DT Article ID TRANSITION-METAL-COMPLEXES; UNUSUAL SILYL MIGRATION; HYDRIDE COMPLEXES; OXO COMPLEXES; DITANTALUM COMPLEX; AMIDO COMPLEXES; SI-H; DIOXYGEN; REACTIVITY; TANTALUM AB A new trinuclear species containing a Ta(IV)-Ta(IV) bond, Ta-3(mu-H)(mu-NMe2)(mu=NBut)(2)(=NBut)(NMe2)(5), has been formed by reductive elimination of H-2. Ta2H2(mu-NMe2)(2)(NMe2)(2)(=NBut)(2) has also been isolated. O-2 oxidizes the Ta(IV)-Ta(IV) bond to yield Ta-3(mu(3)-O)(H)(mu=NBut)(mu-NMe2)(2)(NMe2)(4)(=NBut)(2) under ligand exchange. Delocalization of d electrons is discussed. C1 [Li, Juan; Lin, Zhenyang] Hong Kong Univ Sci & Technol, Dept Chem, Hong Kong, Hong Kong, Peoples R China. [Chen, Shu-Jian; Dougan, Brenda A.; Steren, Carlos A.; Xue, Zi-Ling] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Li, Juan] Jinan Univ, Dept Chem, Guangzhou 510632, Guangdong, Peoples R China. [Wang, Xiaoping] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. [Chen, Xue-Tai] Nanjing Univ, Sch Chem & Chem Engn, State Key Lab Coordinat Chem, Nanjing 210093, Peoples R China. RP Lin, ZY (reprint author), Hong Kong Univ Sci & Technol, Dept Chem, Hong Kong, Hong Kong, Peoples R China. EM chzlin@ust.hk; xue@utk.edu RI Wang, Xiaoping/E-8050-2012; OI Wang, Xiaoping/0000-0001-7143-8112; Lin, Zhenyang/0000-0003-4104-8767 FU US National Science Foundation [CHE-1012173]; Hong Kong Research Grants Council [HKUST602108]; National Basic Research Program of China [2007CB925102]; U.S. Department of Energy [DE-AC05-00OR22725] FX The authors thank the US National Science Foundation (CHE-1012173), Hong Kong Research Grants Council (HKUST602108), and National Basic Research Program of China (No.2007CB925102) for financial support. ORNL/SNS is managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract DE-AC05-00OR22725. NR 50 TC 9 Z9 10 U1 0 U2 10 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 30 BP 8685 EP 8687 DI 10.1039/c1cc12837j PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 795PT UT WOS:000292986800064 PM 21720643 ER PT J AU Monreal, MJ Khan, SI Kiplinger, JL Diaconescu, PL AF Monreal, Marisa J. Khan, Saeed I. Kiplinger, Jaqueline L. Diaconescu, Paula L. TI Molecular quadrangle formation from a diuranium mu-eta(6),eta(6)-toluene complex SO CHEMICAL COMMUNICATIONS LA English DT Article ID URANIUM ALKYL COMPLEXES; AROMATIC N-HETEROCYCLES; CRYSTAL-STRUCTURE; DIAMIDE LIGANDS; SANDWICH; COORDINATION; TRINUCLEAR; REDUCTANT; CHEMISTRY; CHROMIUM AB A new inverted sandwich of a mu-eta(6),eta(6)-toluene diuranium complex reacted with quinoxaline to form a tetranuclear macrocycle with ferrocene diamide uranium(IV) vertices and reduced quinoxaline edges. C1 [Monreal, Marisa J.; Khan, Saeed I.; Diaconescu, Paula L.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. [Monreal, Marisa J.; Kiplinger, Jaqueline L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Diaconescu, PL (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. EM kiplinger@lanl.gov; pld@chem.ucla.edu RI Kiplinger, Jaqueline/B-9158-2011; OI Kiplinger, Jaqueline/0000-0003-0512-7062; Monreal, Marisa/0000-0001-6447-932X FU UCLA, DOE [ER15984]; Sloan Foundation; Los Alamos National Laboratory G. T. Seaborg Institute for Transactinium Science; DOE Office of Basic Energy Science FX This work was supported by the UCLA, DOE (Grant ER15984), and Sloan Foundation, the Los Alamos National Laboratory G. T. Seaborg Institute for Transactinium Science (Graduate Student Fellowship to M.J.M) and the DOE Office of Basic Energy Science, Heavy Element Chemistry Program (J.L.K.). NR 33 TC 39 Z9 39 U1 2 U2 17 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 32 BP 9119 EP 9121 DI 10.1039/c1cc12367j PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 800GB UT WOS:000293346700032 PM 21738914 ER PT J AU Alloyeau, D Ding, BQ Ramasse, Q Kisielowski, C Lee, Z Jeon, KJ AF Alloyeau, Damien Ding, Baoquan Ramasse, Quentin Kisielowski, Christian Lee, Zonghoon Jeon, Ki-Joon TI Direct imaging and chemical analysis of unstained DNA origami performed with a transmission electron microscope SO CHEMICAL COMMUNICATIONS LA English DT Article ID RESOLUTION; NANOPARTICLES; TOMOGRAPHY; SHAPES AB Here, we report a simple and rapid characterisation technique combining physical and chemical analysis for DNA origami with conventional TEM. C1 [Lee, Zonghoon] UNIST, Sch Mech & Adv Mat Engn, Ulsan 689798, South Korea. [Alloyeau, Damien] Univ Paris Diderot, CNRS, UMR 7162, Lab Mat & Phenomenes Quant, F-75205 Paris 13, France. [Alloyeau, Damien; Kisielowski, Christian] Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Elect Microscopy, Berkeley, CA 94720 USA. [Ding, Baoquan] Natl Ctr NanoSci & Technol, Beijing 100190, Peoples R China. [Ramasse, Quentin] SuperSTEM Lab, Warrington WA4 4AD, Cheshire, England. [Jeon, Ki-Joon] Univ Ulsan, Sch Elect Engn, Ulsan 680749, South Korea. RP Lee, Z (reprint author), UNIST, Sch Mech & Adv Mat Engn, Ulsan 689798, South Korea. EM zonghoon.lee@gmail.com; jewni58@gmail.com RI Lee, Zonghoon/G-1474-2011 OI Lee, Zonghoon/0000-0003-3246-4072 FU University of Ulsan FX This work was supported by the 2011 Research Fund of University of Ulsan. NR 24 TC 7 Z9 8 U1 3 U2 43 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 33 BP 9375 EP 9377 DI 10.1039/c1cc13654b PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 804IT UT WOS:000293648200025 PM 21769352 ER PT J AU Shin, SM Moon, D Jeong, KS Kim, J Thallapally, PK Jeong, N AF Shin, Sung Min Moon, Dohyun Jeong, Kyung Seok Kim, Jaheon Thallapally, Praveen K. Jeong, Nakcheol TI Homochiral 3D metal-organic frameworks from chiral 1D rods: 6-way helical packing SO CHEMICAL COMMUNICATIONS LA English DT Article ID SINGLE-CRYSTAL TRANSFORMATIONS; BUILDING-BLOCKS; ASYMMETRIC CATALYSIS; RETICULAR SYNTHESIS; COMPLEX; NETWORKS AB The chiral 3D MOFs resulted from the packing of chiral 1D SBBs were studied. It was demonstrated that the final packing pattern is sensitively dependent on the dimension of SBBs. In addition, we were able to identify a new plywood-like network from ligand 2H(2) exhibiting an unprecedented six-way chiral helical packing motif, which extends the list of invariant rod packings. C1 [Thallapally, Praveen K.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Shin, Sung Min; Jeong, Kyung Seok; Jeong, Nakcheol] Korea Univ, Dept Chem, Seoul 136701, South Korea. [Moon, Dohyun] Pohang Accelerator Lab POSTECH, Beamline Div, Pohang 790784, Kyung Buk, South Korea. [Kim, Jaheon] Soongsil Univ, Dept Chem, Seoul 156743, South Korea. [Jeong, Nakcheol] Seoul Ctr, Korea Basic Sci Inst, Seoul 136713, South Korea. RP Thallapally, PK (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM praveen.thallapally@pnnl.gov; njeong@korea.ac.kr RI thallapally, praveen/I-5026-2014 OI thallapally, praveen/0000-0001-7814-4467 FU National Research Foundation of Korea (NRF) [2009-0053318, 2011-0016303]; DOE by Battelle [DE-AC05-76RL01830] FX This work was supported by National Research Foundation of Korea (NRF) grants 2009-0053318 and 2011-0016303. Experiments at PLS (beamline 6b-1) were supported in part by MEST and POSTECH. PNNL is a multiprogram national laboratory operated for DOE by Battelle under Contract DE-AC05-76RL01830. NR 28 TC 15 Z9 15 U1 4 U2 25 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 33 BP 9402 EP 9404 DI 10.1039/c1cc12908b PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 804IT UT WOS:000293648200034 PM 21773637 ER PT J AU Svendsen, H Overgaard, J Chen, YS Iversen, BB AF Svendsen, Helle Overgaard, Jacob Chen, Yu-Sheng Iversen, Bo B. TI A photo-induced excited state structure of a hetero-bimetallic ionic pair complex, Nd(DMA)(4)(H2O)(4)Fe(CN)(6)center dot 3H(2)O, analyzed by single crystal X-ray diffraction SO CHEMICAL COMMUNICATIONS LA English DT Article ID METASTABLE LINKAGE ISOMERS; SULFUR-DIOXIDE COMPLEXES; SPIN-CROSSOVER COMPLEX; RADIATION-DAMAGE; MAGNETIZATION; TRANSITION AB The excited state crystal structure of the ionic complex (Nd(DMA)(4)(H2O)(4)-Fe(CN)(6)center dot 3H(2)O (DMA = dimethylacetamide) has been determined at 15 K upon UV illumination by single crystal X-ray diffraction. Significant structural changes are observed around the Fe site in the excited state. These changes are similar to those observed for a related molecular compound exhibiting photomagnetic properties. C1 [Svendsen, Helle; Overgaard, Jacob; Iversen, Bo B.] Aarhus Univ, Ctr Mat Crystallog, Dept Chem, DK-8000 Aarhus C, Denmark. [Svendsen, Helle; Overgaard, Jacob; Iversen, Bo B.] Aarhus Univ, INANO, DK-8000 Aarhus C, Denmark. [Chen, Yu-Sheng] Univ Chicago, Adv Photon Source, ChemMatCARS Beam Line, Argonne, IL 60439 USA. RP Iversen, BB (reprint author), Aarhus Univ, Ctr Mat Crystallog, Dept Chem, DK-8000 Aarhus C, Denmark. EM bo@chem.au.dk RI Overgaard, Jacob/C-3519-2008 FU Danish National Research Foundation (CMC); Danish Strategic Research Council (CEM); Danish Research Council for Nature and Universe (Danscatt) FX This work was supported by the Danish National Research Foundation (CMC), the Danish Strategic Research Council (CEM) and the Danish Research Council for Nature and Universe (Danscatt). NR 25 TC 4 Z9 4 U1 2 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 33 BP 9486 EP 9488 DI 10.1039/c1cc12626a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 804IT UT WOS:000293648200062 PM 21789295 ER PT J AU Lambert, TN Davis, DJ Limmer, SJ Hibbs, MR Lavin, JM AF Lambert, Timothy N. Davis, Danae J. Limmer, Steven J. Hibbs, Michael R. Lavin, Judith M. TI New multi-electron high capacity anodes based on nanoparticle vanadium phosphides SO CHEMICAL COMMUNICATIONS LA English DT Article ID AQUEOUS PRIMARY BATTERIES; METAL BORIDES AB Nanoscale vanadium phosphides can serve as new high capacity anodes in alkaline aqueous electrolytes. Competing corrosion reaction(s) are mitigated with the novel use of an anion exchange membrane providing for capacities as high as 2800 mAh g(-1) @ 100 mA g(-1) discharge rate. C1 [Lambert, Timothy N.; Davis, Danae J.; Hibbs, Michael R.; Lavin, Judith M.] Sandia Natl Labs, Dept Mat Devices & Energy Technol, Albuquerque, NM 87185 USA. [Limmer, Steven J.] Sandia Natl Labs, Dept Photon Microsyst & Technol, Albuquerque, NM 87185 USA. RP Lambert, TN (reprint author), Sandia Natl Labs, Dept Mat Devices & Energy Technol, POB 5800,MS-0734, Albuquerque, NM 87185 USA. EM tnlambe@sandia.gov RI Limmer, Steven/B-3717-2012; OI Limmer, Steven/0000-0001-6588-372X FU Sandia National Laboratories [DE-AC04-94AL85000] FX This work was supported by: Sandia National Laboratories. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. Bonnie McKenzie and Mark Rodriguez are thanked for technical assistance. NR 13 TC 9 Z9 9 U1 5 U2 55 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 34 BP 9597 EP 9599 DI 10.1039/c1cc13141a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 807AA UT WOS:000293858700007 PM 21805005 ER PT J AU Xiao, XY Nogan, J Beechem, T Montano, GA Washburn, CM Wang, J Brozik, SM Wheeler, DR Burckel, DB Polsky, R AF Xiao, Xiaoyin Nogan, John Beechem, Thomas Montano, Gabriel A. Washburn, Cody M. Wang, Joseph Brozik, Susan M. Wheeler, David R. Burckel, D. Bruce Polsky, Ronen TI Lithographically-defined 3D porous networks as active substrates for surface enhanced Raman scattering SO CHEMICAL COMMUNICATIONS LA English DT Article ID NANOSPHERE LITHOGRAPHY; SILVER NANOPARTICLES; CARBON ELECTRODES; SINGLE MOLECULES; COLLOIDAL SILVER; SPECTROSCOPY; SERS; MONOLAYERS; SPECTRA; AG AB Interferometric lithographically fabricated porous carbon acts as active substrates for Surface Enhanced Raman Scattering (SERS) applications with enhancement factors ranging from 7 to 9 orders of magnitude. C1 [Xiao, Xiaoyin; Nogan, John; Beechem, Thomas; Washburn, Cody M.; Brozik, Susan M.; Wheeler, David R.; Burckel, D. Bruce; Polsky, Ronen] Sandia Natl Labs, Dept Biosensors & Nanomat, Albuquerque, NM 87185 USA. [Montano, Gabriel A.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Wang, Joseph] Univ Calif San Diego, Dept Nanoengn, San Diego, CA 92093 USA. RP Burckel, DB (reprint author), Sandia Natl Labs, Dept Biosensors & Nanomat, POB 5800, Albuquerque, NM 87185 USA. EM dbburck@sandia.gov; rpolsky@sandia.gov RI Wang, Joseph/C-6175-2011 FU Sandia National Laboratories; CINT; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Center for Integrated Nanotechnologies; U.S. Department of Energy, Office of Basic Energy Sciences; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396] FX We thank Dr Keith J. Stevenson and his student, Jaclyn D. Wiggins-Camacho for helping with collection of the Raman spectra at University of Texas at Austin. R. P. would like to thank Ron Gill for discussions. This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories and in part by the CINT user program. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000 and also, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. NR 30 TC 13 Z9 13 U1 0 U2 32 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 35 BP 9858 EP 9860 DI 10.1039/c1cc12072g PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 810JQ UT WOS:000294122000028 PM 21776520 ER PT J AU Broderick, EM Guo, N Wu, TP Vogel, CS Xu, CL Sutter, J Miller, JT Meyer, K Cantat, T Diaconescu, PL AF Broderick, Erin M. Guo, Neng Wu, Tianpin Vogel, Carola S. Xu, Cuiling Sutter, Joerg Miller, Jeffrey T. Meyer, Karsten Cantat, Thibault Diaconescu, Paula L. TI Redox control of a polymerization catalyst by changing the oxidation state of the metal center SO CHEMICAL COMMUNICATIONS LA English DT Article ID RING-OPENING POLYMERIZATION; LIGAND; ISOMERIZATION; LACTONES; RHODIUM; LACTIDE; CERIUM AB The activity of cerium alkoxide complexes supported by a Schiff base ligand was controlled using redox reagents during the ring-opening polymerization of L-lactide. The rate of L-lactide polymerization was modified by switching in situ between the cerium(III) and cerium(IV) species. C1 [Cantat, Thibault] CEA, IRAMIS, SIS2M, CNRS UMR 3299, F-91191 Gif Sur Yvette, France. [Broderick, Erin M.; Diaconescu, Paula L.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. [Guo, Neng; Wu, Tianpin; Miller, Jeffrey T.] Argonne Natl Lab, CSE Div, Argonne, IL 60439 USA. [Vogel, Carola S.; Sutter, Joerg; Meyer, Karsten] Univ Erlangen Nurnberg, Dept Chem & Pharm, D-91058 Erlangen, Germany. [Xu, Cuiling] Univ British Columbia, Vancouver, BC V6T 1Z1, Canada. RP Cantat, T (reprint author), CEA, IRAMIS, SIS2M, CNRS UMR 3299, F-91191 Gif Sur Yvette, France. EM thibault.cantat@cea.fr; pld@chem.ucla.edu RI BM, MRCAT/G-7576-2011; Cantat, Thibault/A-8167-2010; Meyer, Karsten/G-2570-2012; Guo, Neng/A-3223-2013 OI Cantat, Thibault/0000-0001-5265-8179; Meyer, Karsten/0000-0002-7844-2998; FU UCLA, DOE [ER15984]; Sloan Foundation; University of Erlangen-Nuremburg; DFG; Bavarian California Technology Center; DOE [DE-AC02-06CH11357]; CINES [c2011086494] FX The authors thank Prof. Parisa Mehrkhodavandi for the use of the GPC instrument and helpful discussions. This work was supported by the UCLA, DOE (Grant ER15984), Sloan Foundation, the University of Erlangen-Nuremburg, DFG, and the Bavarian California Technology Center. Use of the Advanced Photon Source was supported by DOE (DE-AC02-06CH11357). Computer time was supported by CINES (Project No. c2011086494). NR 21 TC 55 Z9 55 U1 3 U2 36 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 35 BP 9897 EP 9899 DI 10.1039/c1cc13117f PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 810JQ UT WOS:000294122000041 PM 21818489 ER PT J AU Kang, SH Zhu, K Neale, NR Frank, AJ AF Kang, Soon Hyung Zhu, Kai Neale, Nathan R. Frank, Arthur J. TI Hole transport in sensitized CdS-NiO nanoparticle photocathodes SO CHEMICAL COMMUNICATIONS LA English DT Article ID TIO2 SOLAR-CELLS; FILMS; RECOMBINATION; TEMPERATURE; COLLECTION; ELECTRODES; EFFICIENCY; ION AB A general chemical approach was used to synthesise NiO-CdS core-shell nanoparticle films as photocathodes for p-type semiconductor- sensitized solar cells. Compared to dye-sensitized NiO photocathodes, the CdS-sensitized NiO cathodes exhibited two orders of magnitude faster hole transport (attributable to the passivation of surface traps by the CdS) and almost 100% charge-collection efficiencies. C1 [Kang, Soon Hyung] Chonnam Natl Univ, Dept Chem Educ, Kwangju 500757, South Korea. [Zhu, Kai; Neale, Nathan R.; Frank, Arthur J.] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. RP Kang, SH (reprint author), Chonnam Natl Univ, Dept Chem Educ, Kwangju 500757, South Korea. EM skang@jnu.ac.kr; Kai.Zhu@nrel.gov; Arthur.Frank@nrel.gov FU National Research Foundation of Korea; Korean Government (Ministry of Education, Science and Technology) [NRF-2011-0840]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences; Division of Photovoltaics, Office of Utility Technologies [DE-AC36-08GO28308] FX This work was supported by the National Research Foundation of Korea Grant funded by the Korean Government (Ministry of Education, Science and Technology, NRF-2011-0840, SHK). This work was also funded by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences (SHK, NRN, AJF), and the Division of Photovoltaics, Office of Utility Technologies, (K.Z.), under Contract No. DE-AC36-08GO28308. NR 25 TC 31 Z9 31 U1 4 U2 59 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 37 BP 10419 EP 10421 DI 10.1039/c1cc13932k PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 815BH UT WOS:000294500600069 PM 21858333 ER PT J AU Morra, S Valetti, F Sadeghi, SJ King, PW Meyer, T Gilardi, G AF Morra, Simone Valetti, Francesca Sadeghi, Sheila J. King, Paul W. Meyer, Toby Gilardi, Gianfranco TI Direct electrochemistry of an [FeFe]-hydrogenase on a TiO2 Electrode SO CHEMICAL COMMUNICATIONS LA English DT Article ID HYDROGENASES; H-2; ENZYMES AB [FeFe]-hydrogenases are efficient natural catalysts that can be exploited for hydrogen production. Immobilization of the recombinant [FeFe]-hydrogenase CaHydA was achieved for the first time on an anatase TiO2 electrode. The enzyme is able to interact and exchange electrons with the electrode and to catalyze hydrogen production with an efficiency of 70%. C1 [Morra, Simone; Valetti, Francesca; Sadeghi, Sheila J.; Gilardi, Gianfranco] Univ Turin, Dept Human & Anim Biol, Turin, Italy. [King, Paul W.] Natl Renewable Energy Lab, Golden, CO USA. [Meyer, Toby] Solaronix SA, CH-1170 Aubonne, Switzerland. RP Gilardi, G (reprint author), Univ Turin, Dept Human & Anim Biol, Turin, Italy. EM gianfranco.gilardi@unito.it RI King, Paul/D-9979-2011; GILARDI, GIANFRANCO/B-4523-2010; OI King, Paul/0000-0001-5039-654X; Gilardi, Gianfranco/0000-0002-6559-276X; SADEGHI, JILA/0000-0003-4951-1242; Morra, Simone/0000-0003-1341-191X FU EC [227192-2] FX This work was partially supported by the SOLHYDROMICS project (EC program FP7-Energy, Collaborative project 227192-2). NR 17 TC 20 Z9 20 U1 1 U2 31 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 38 BP 10566 EP 10568 DI 10.1039/c1cc14535e PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 821WE UT WOS:000295004300009 PM 21863186 ER PT J AU Xu, P Akhadov, E Wang, LY Wang, HL AF Xu, Ping Akhadov, Elshan Wang, Leeyih Wang, Hsing-Lin TI Sequential chemical deposition of metal alloy jellyfish using polyaniline: redox chemistry at the metal-polymer interface SO CHEMICAL COMMUNICATIONS LA English DT Article ID FACILE SYNTHESIS; CATALYTIC-PROPERTIES; NANOFIBERS; NANOPARTICLES; PALLADIUM; FILMS AB We here demonstrate for the first time the fabrication of jellyfish-like Au-Ag alloys through sequential chemical deposition on a PANI substrate. This methodology can be applied to fabricate not only nanoparticles with complex morphology but also alloys with various compositions. C1 [Xu, Ping; Akhadov, Elshan; Wang, Hsing-Lin] Los Alamos Natl Lab, C PCS, Los Alamos, NM 87545 USA. [Xu, Ping] Harbin Inst Technol, Dept Chem, Harbin 150001, Peoples R China. [Wang, Leeyih] Natl Taiwan Univ, Taipei 10764, Taiwan. RP Wang, LY (reprint author), Los Alamos Natl Lab, C PCS, Los Alamos, NM 87545 USA. EM leewang@ntu.edu.tw; hwang@lanl.gov RI Xu, Ping/I-1910-2013 OI Xu, Ping/0000-0002-1516-4986 FU Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering; U.S. Department of Energy, Center for Integrated Nanotechnologies, at Los Alamos National Laboratory [DE-AC52-06NA25396]; National Science Council of Taiwan; Fundamental Research Funds for the Central Universities [HIT. NSRIF. 2010065, 2011017]; NSFC [21101041] FX This work is supported by the Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering. This work was performed in part at the U.S. Department of Energy, Center for Integrated Nanotechnologies, at Los Alamos National Laboratory (contract DE-AC52-06NA25396). L. Wang acknowledges the National Science Council of Taiwan for financial support. P. Xu thanks Fundamental Research Funds for the Central Universities (Grant No. HIT. NSRIF. 2010065 and 2011017) and NSFC (21101041) for financial support. NR 25 TC 15 Z9 15 U1 2 U2 20 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 38 BP 10764 EP 10766 DI 10.1039/c1cc13025k PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 821WE UT WOS:000295004300075 PM 21879039 ER PT J AU Do, LH Wang, HX Tinberg, CE Dowty, E Yoda, Y Cramer, SP Lippard, SJ AF Do, Loi H. Wang, Hongxin Tinberg, Christine E. Dowty, Eric Yoda, Yoshitaka Cramer, Stephen P. Lippard, Stephen J. TI Characterization of a synthetic peroxodiiron(III) protein model complex by nuclear resonance vibrational spectroscopy SO CHEMICAL COMMUNICATIONS LA English DT Article ID SOLUBLE METHANE MONOOXYGENASE; NONHEME DIIRON PROTEINS; FERROUS HEME-NITROSYLS; DIOXYGEN ACTIVATION; RIBONUCLEOTIDE REDUCTASE; PEROXO INTERMEDIATE; OXYGEN ACTIVATION; O-2 ACTIVATION; MECHANISM; ENZYMES AB The vibrational spectrum of an eta(1),eta(1)-1,2-peroxodiiron(III) complex was measured by nuclear resonance vibrational spectroscopy and fit using an empirical force field analysis. Isotopic O-18(2) labelling studies revealed a feature involving motion of the {Fe-2(O-2)}(4+) core that was not previously observed by resonance Raman spectroscopy. C1 [Do, Loi H.; Tinberg, Christine E.; Lippard, Stephen J.] MIT, Dept Chem, Cambridge, MA 02139 USA. [Wang, Hongxin; Cramer, Stephen P.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [Wang, Hongxin; Cramer, Stephen P.] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Dowty, Eric] Shape Software, Kingsport, TN 37663 USA. [Yoda, Yoshitaka] SPring 8 JASRIN, Mikazuki, Hyogo 6795198, Japan. RP Lippard, SJ (reprint author), MIT, Dept Chem, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM spjcramer@ucdavis.edu; lippard@mit.edu FU JASRI [2010A1600]; National Institute of General Medical Sciences [GM-65440, GM-032134]; NSF [CHE-0745353]; Department of Energy (DOE) Office of Biological and Environmental Sciences FX The authors thank SPring-8 (JASRI, Proposal No. 2010A1600), the National Institute of General Medical Sciences (GM-65440 to SPC and GM-032134 to SJL), the NSF (CHE-0745353 to SPC), and the Department of Energy (DOE) Office of Biological and Environmental Sciences (to SPC) for supporting this work. Resonance Raman data were provided by Dr Takahiro Hayashi and Prof. Pierre Moenne-Loccoz. NR 40 TC 5 Z9 5 U1 1 U2 10 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 39 BP 10945 EP 10947 DI 10.1039/c1cc13836g PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 825KZ UT WOS:000295275200014 PM 21897991 ER PT J AU Koumousi, ES Mukherjee, S Beavers, CM Teat, SJ Christou, G Stamatatos, TC AF Koumousi, Evangelia S. Mukherjee, Shreya Beavers, Christine M. Teat, Simon J. Christou, George Stamatatos, Theocharis C. TI Towards models of the oxygen-evolving complex (OEC) of photosystem II: a Mn4Ca cluster of relevance to low oxidation states of the OEC SO CHEMICAL COMMUNICATIONS LA English DT Article ID SINGLE-MOLECULE MAGNETS; WATER-OXIDIZING COMPLEX; MN-CLUSTER; CRYSTAL; PHOTOSYNTHESIS; ARCHITECTURE; RESOLUTION; CHEMISTRY AB Synthetic access has been achieved into high oxidation state Mn/Ca chemistry with the 4 : 1 Mn : Ca stoichiometry of the oxygen-evolving complex (OEC) of plants and cyanobacteria; the anion of (Et3NH)(2)[(Mn4Ca)-Ca-III(O2CPh)(4)(shi)(4)] has a square pyramidal metal topology and an S = 0 ground state. C1 [Mukherjee, Shreya; Christou, George] Univ Florida, Dept Chem, Gainesville, FL 32611 USA. [Koumousi, Evangelia S.; Stamatatos, Theocharis C.] Univ Patras, Dept Chem, Patras 26500, Greece. [Beavers, Christine M.; Teat, Simon J.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Stamatatos, Theocharis C.] Aristotle Univ Thessaloniki, Fac Chem, Dept Gen & Inorgan Chem, Thessaloniki 54124, Greece. RP Christou, G (reprint author), Univ Florida, Dept Chem, Gainesville, FL 32611 USA. EM thstama@chemistry.upatras.gr RI Christou, George /A-3072-2014 FU Royal Society; National Science Foundation [CHE-0910472]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX Th.C.S thanks the Royal Society of Chemistry Research Fund for chemical supply. This work was also supported by the National Science Foundation (CHE-0910472 to G.C.). The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 31 TC 25 Z9 25 U1 0 U2 24 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 39 BP 11128 EP 11130 DI 10.1039/c1cc13770k PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 825KZ UT WOS:000295275200075 PM 21904743 ER PT J AU Weng, W Zhang, ZC Lu, J Amine, K AF Weng, Wei Zhang, Zhengcheng Lu, Jun Amine, Khalil TI A disiloxane-functionalized phosphonium-based ionic liquid as electrolyte for lithium-ion batteries SO CHEMICAL COMMUNICATIONS LA English DT Article ID ELECTROCHEMICAL PROPERTIES; POTENTIAL ELECTROLYTES; ROOM-TEMPERATURE; GRAPHITE; CONDUCTIVITY; SURFACES AB A disiloxane-functionalized ionic liquid based on a phosphonium cation and a bis(trifluoromethylsulfonyl) imide (TFSI) anion was synthesized and characterized. This new ionic liquid electrolyte showed good stability with a lithium transition metal oxide cathode and a graphite anode in lithium ion cells. C1 [Weng, Wei; Zhang, Zhengcheng; Lu, Jun; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60440 USA. RP Zhang, ZC (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Lemont, IL 60440 USA. EM zzhang@anl.gov; amine@anl.gov RI Weng, Wei/A-7623-2010; Amine, Khalil/K-9344-2013 FU Center for Electrical Energy Storage: Tailored Interfaces, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; U.S. Department of Energy by UChicago Argonne, LLC [DE-ACOZ-06CH11357] FX This work was supported by the Center for Electrical Energy Storage: Tailored Interfaces, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Argonne National Laboratory is operated for the U.S. Department of Energy by UChicago Argonne, LLC, under contract DE-ACOZ-06CH11357. NR 25 TC 17 Z9 17 U1 1 U2 40 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 43 BP 11969 EP 11971 DI 10.1039/c1cc15331e PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 837KZ UT WOS:000296202800046 PM 21964374 ER PT J AU Mock, MT Chen, ST Rousseau, R O'Hagan, MJ Dougherty, WG Kassel, WS DuBois, DL Bullock, RM AF Mock, Michael T. Chen, Shentan Rousseau, Roger O'Hagan, Molly J. Dougherty, William G. Kassel, W. Scott DuBois, Daniel L. Bullock, R. Morris TI A rare terminal dinitrogen complex of chromium SO CHEMICAL COMMUNICATIONS LA English DT Article ID BIOLOGICAL NITROGEN-FIXATION; SINGLE MOLYBDENUM CENTER; CATALYTIC-REDUCTION; SYSTEMATIC SYNTHESIS; CRYSTAL-STRUCTURES; AMMONIA-SYNTHESIS; SCHROCK CYCLE; CHEMISTRY; ACTIVATION; MECHANISM AB Cis and trans-Cr-N-2 complexes supported by the diphosphine ligand (P2N2Bn)-N-Ph have been prepared. Positioned pendant amines in the second coordination sphere influence the thermodynamically preferred geometric isomer. Electronic structure calculations indicate negligible Cr-N-2 back-bonding; rather, electronic polarization of N-2 ligand is thought to stabilize Cr-N-2 binding. C1 [Mock, Michael T.; Chen, Shentan; Rousseau, Roger; O'Hagan, Molly J.; DuBois, Daniel L.; Bullock, R. Morris] Pacific NW Natl Lab, Ctr Mol Electrocatalysis, Richland, WA 99352 USA. [Dougherty, William G.; Kassel, W. Scott] Villanova Univ, Dept Chem, Villanova, PA 19085 USA. RP Mock, MT (reprint author), Pacific NW Natl Lab, Ctr Mol Electrocatalysis, POB 999,K2-57, Richland, WA 99352 USA. EM michael.mock@pnnl.gov; morris.bullock@pnnl.gov RI chen, shentan/H-4924-2011; Rousseau, Roger/C-3703-2014; Bullock, R. Morris/L-6802-2016 OI Bullock, R. Morris/0000-0001-6306-4851 FU Center for Molecular Electrocatalysis, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [FWP 56073] FX This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under FWP 56073. Computational resources were provided by the National Energy Research Scientific Computing Center (NERSC) at Lawrence Berkeley National Laboratory. Pacific Northwest National Laboratory is operated by Battelle for DOE. NR 42 TC 22 Z9 22 U1 1 U2 32 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 44 BP 12212 EP 12214 DI 10.1039/c1cc15430c PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 839CR UT WOS:000296342800055 PM 21993453 ER PT J AU Muckerman, JT Fujita, E AF Muckerman, James T. Fujita, Etsuko TI Theoretical studies of the mechanism of catalytic hydrogen production by a cobaloxime SO CHEMICAL COMMUNICATIONS LA English DT Article ID MOLECULAR-ORBITAL METHODS; GAUSSIAN-BASIS SETS; PHOTOCATALYTIC SYSTEM; HOMOGENEOUS SYSTEM; FUNCTIONAL MODELS; ORGANIC-MOLECULES; ELECTRON-TRANSFER; COBALT CATALYST; ROW ATOMS; COMPLEXES AB Our theoretical studies of the standard reduction potentials of the molecular complex [Co-II(dmgBF(2))(2)](0) (dmgBF(2) = difluoroboryldimethylglyoximate) in acetonitrile solution shed light on its electrocatalytic mechanism for hydrogen production. Three such mechanisms have been proposed, all proceeding through the formation of (CoH)-H-III. Our results indicate that the mechanism involving a (CoH)-H-II intermediate is the most likely. C1 [Muckerman, James T.; Fujita, Etsuko] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Muckerman, JT (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM muckerma@bnl.gov RI Muckerman, James/D-8752-2013; Fujita, Etsuko/D-8814-2013 FU U.S. Department of Energy (DOE) [DE-AC02-98CH10886]; Division of Chemical Sciences, Geosciences, & Biosciences, Office of Basic Energy Sciences; DOE for funding under the BES Solar Energy Utilization Initiative FX The work at Brookhaven National Laboratory is funded under contract DE-AC02-98CH10886 with the U.S. Department of Energy (DOE) and supported by its Division of Chemical Sciences, Geosciences, & Biosciences, Office of Basic Energy Sciences. We also thank the DOE for funding under the BES Solar Energy Utilization Initiative. The authors thank Jake Schneider and Jonathan Skone for comments on a preliminary version of this manuscript. NR 40 TC 113 Z9 113 U1 3 U2 46 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2011 VL 47 IS 46 BP 12456 EP 12458 DI 10.1039/c1cc15330g PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 847PO UT WOS:000296985100007 PM 22034624 ER PT J AU Cape, JL Monnard, PA Boncella, JM AF Cape, Jonathan L. Monnard, Pierre-Alain Boncella, James M. TI Prebiotically relevant mixed fatty acid vesicles support anionic solute encapsulation and photochemically catalyzed trans-membrane charge transport SO CHEMICAL SCIENCE LA English DT Article ID PHOTOSENSITIZED ELECTRON-TRANSPORT; POLYCYCLIC AROMATIC-HYDROCARBONS; ORGANIC-MATTER; CARBONACEOUS METEORITES; MODEL PROTOCELL; PHASE-BEHAVIOR; MONOCARBOXYLIC ACIDS; QUANTUM YIELD; LIFES ORIGIN; GROWTH AB The spontaneous assembly of amphiphile-based compartments in aqueous solution is widely viewed as a key step in models for the abiotic formation of primitive cell-like structures. Proposed organic components for such systems consist of mixed short chain fatty acids (FA) and polycyclic aromatic hydrocarbon (PAH) species, the composition of which have been modeled after organic extracts of carbonaceous meteorites. Self-assembly of amphiphiles from these extracts into aqueous suspensions of bilayer structures was long ago demonstrated, although little has since been reported concerning the stability and potential functionality of these complex mixtures. This work explores the thermodynamic and kinetic stability of vesicles prepared from complex mixtures of short chain FA species (CH3COOH-C9H19COOH) with membrane solubilized PAH species. Critical vesicle concentration measurements and ultrafiltration analyses of decanoic acid in the presence of other shorter chain FA species indicate the formation of mixed component vesicle phases composed mainly of C-10-C-8 FA components. An electrostatic barrier to trans-membrane diffusion of negative charges allows observation of stably encapsulated poly-anionic solutes inside these vesicles. As a model for primitive energy transduction, trans-membrane electron transfer between EDTA and encapsulated ferricyanide was demonstrated, driven catalytically via PAH photochemistry without substantial decomposition of the chromophores or vesicles. These results indicate a plausible role for compartmentalization and catalysis by short chain fatty acids and PAH species in prebiotic vesicle-encapsulated systems. C1 [Cape, Jonathan L.; Monnard, Pierre-Alain; Boncella, James M.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Monnard, Pierre-Alain] Univ So Denmark, Dept Chem & Phys, FLinT Ctr, DK-5230 Odense M, Denmark. RP Boncella, JM (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, MS J514, Los Alamos, NM 87545 USA. EM boncella@lanl.gov OI Boncella, James/0000-0001-8393-392X FU NASA [NNH08AI881] FX The authors would like to thank Drs Hans-Joachim Ziock, Martin Hanczyc, Sarah Mauer, and Steen Rasmussen for stimulating discussions regarding this work. Funding for this work was provided by the NASA Exobiology Program, grant # NNH08AI881. NR 74 TC 27 Z9 28 U1 1 U2 23 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2041-6520 EI 2041-6539 J9 CHEM SCI JI Chem. Sci. PY 2011 VL 2 IS 4 BP 661 EP 671 DI 10.1039/c0sc00575d PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 735BE UT WOS:000288387600012 ER PT J AU Andrews, SC Fardy, MA Moore, MC Aloni, S Zhang, MJ Radmilovic, V Yang, PD AF Andrews, Sean C. Fardy, Melissa A. Moore, Michael C. Aloni, Shaul Zhang, Minjuan Radmilovic, Velimir Yang, Peidong TI Atomic-level control of the thermoelectric properties in polytypoid nanowires SO CHEMICAL SCIENCE LA English DT Article ID TRANSPARENT OXIDE SEMICONDUCTOR; RESOLUTION ELECTRON-MICROSCOPY; HOMOLOGOUS COMPOUNDS; SUPERLATTICE STRUCTURE; THERMAL-CONDUCTIVITY; MODULATED STRUCTURE; ENERGY-CONVERSION; SILICON NANOWIRES; ZINC-OXIDE; DOPED ZNO AB Thermoelectric materials have generated interest as a means of increasing the efficiency of power generation through the scavenging of waste heat. Materials containing nanometer-sized structural and compositional features can exhibit enhanced thermoelectric performance due to the decoupling of certain electrical and thermal properties, but the extent to which these features can be controlled is often limited. Here we report a simple synthesis of M2O3(ZnO)(n) (M = In, Ga, Fe) nanowires with controllable polytypoid structures, where the nanostructured features are tuned by adjusting the amount of metal precursor. After the introduction of nanometer-scale features (individual atomic layers and alloying), thermal and electrical measurements on single In2-xGaxO3(ZnO)(n) nanowires reveal a simultaneous improvement in all contributing factors to the thermoelectric figure of merit, indicating successful modification of the nanowire transport properties. C1 [Andrews, Sean C.; Fardy, Melissa A.; Moore, Michael C.; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Andrews, Sean C.; Fardy, Melissa A.; Moore, Michael C.; Aloni, Shaul; Radmilovic, Velimir; Yang, Peidong] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Zhang, Minjuan] Toyota Motor Engn & Mfg N Amer TEMA Inc, Toyota Res Inst N Amer, Mat Res Dept, Ann Arbor, MI 48105 USA. [Radmilovic, Velimir] Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. RP Yang, PD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. FU Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; NSF FX This work was supported the Director, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Early stages of materials synthesis were supported by Toyota, later stages of materials synthesis and characterization were supported by DOE. P.Y. would like to thank NSF for the A. T. Waterman Award. We thank National Center of Electron Microscopy for the use of their facilities. NR 54 TC 34 Z9 34 U1 4 U2 64 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2041-6520 EI 2041-6539 J9 CHEM SCI JI Chem. Sci. PY 2011 VL 2 IS 4 BP 706 EP 714 DI 10.1039/c0sc00537a PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 735BE UT WOS:000288387600019 ER PT J AU Colombo, V Galli, S Choi, HJ Han, GD Maspero, A Palmisano, G Masciocchi, N Long, JR AF Colombo, Valentina Galli, Simona Choi, Hye Jin Han, Ggoch Ddeul Maspero, Angelo Palmisano, Giovanni Masciocchi, Norberto Long, Jeffrey R. TI High thermal and chemical stability in pyrazolate-bridged metal-organic frameworks with exposed metal sites SO CHEMICAL SCIENCE LA English DT Article ID HOT SODIUM-HYDROXIDE; MICROPOROUS COORDINATION POLYMERS; HYDROGEN STORAGE PROPERTIES; ZEOLITE DISSOLUTION; CARBON-DIOXIDE; IMIDAZOLATE FRAMEWORKS; SORPTION PROPERTIES; HIGH-CAPACITY; ADSORPTION; CATALYSIS AB Reactions between the tritopic pyrazole-based ligand 1,3,5-tris(1H-pyrazol-4-yl) benzene (H3BTP) and transition metal acetate salts in DMF afford microporous pyrazolate-bridged metal-organic frameworks of the type M-3(BTP)(2)center dot xsolvent (M Ni (1), Cu, (2), Zn (3), Co (4)). Ab-initio X-ray powder diffraction methods were employed in determining the crystal structures of these compounds, revealing 1 and 2 to exhibit an expanded sodalite-like framework with accessible metal cation sites, while 3 and 4 possess tetragonal frameworks with hydrophobic surfaces and narrower channel diameters. Compounds 1-4 can be desolvated without loss of crystallinity by heating under dynamic vacuum, giving rise to microporous solids with BET surface areas of 1650, 1860, 930 and 1027 m(2) g(-1), respectively. Thermogravimetric analyses and powder X-ray diffraction measurements demonstrate the exceptional thermal and chemical stability of these frameworks. In particular, 3 is stable to heating in air up to at least 510 degrees C, while 1 is stable to heating in air to 430 degrees C, as well as to treatment with boiling aqueous solutions of pH 2 to 14 for two weeks. Unexpectedly, 2 and 3 are converted into new crystalline metal-organic frameworks upon heating in boiling water. With the combination of stability under extreme conditions, high surface area, and exposed metal sites, it is anticipated that 1 may open the way to testing metal-organic frameworks for catalytic processes that currently employ zeolites. C1 [Colombo, Valentina; Choi, Hye Jin; Han, Ggoch Ddeul; Long, Jeffrey R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Colombo, Valentina; Choi, Hye Jin; Han, Ggoch Ddeul; Long, Jeffrey R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Colombo, Valentina; Galli, Simona; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto] Univ Insubria, Dipartimento Sci Chim & Ambientali, I-22100 Como, Italy. RP Long, JR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM jrlong@berkeley.edu RI PALMISANO, GIOVANNI/E-4192-2010; Colombo, Valentina/G-7018-2011; Masciocchi, Norberto/K-4400-2015; OI PALMISANO, GIOVANNI/0000-0001-7917-9450; Colombo, Valentina/0000-0003-0263-4456; Masciocchi, Norberto/0000-0001-9921-2350; GALLI, SIMONA/0000-0003-0335-5707 FU US by the Department of Energy [DE-AC02-05CH11231]; Italy by Fondazione Cariplo [2007-5117] FX This research was supported in the US by the Department of Energy under Contract No. DE-AC02-05CH11231 and in Italy by Fondazione Cariplo (Project 2007-5117). We thank Dr Leslie J. Murray, and Mr. Eric D. Bloch for helpful discussions. NR 79 TC 206 Z9 206 U1 22 U2 150 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2041-6520 EI 2041-6539 J9 CHEM SCI JI Chem. Sci. PY 2011 VL 2 IS 7 BP 1311 EP 1319 DI 10.1039/c1sc00136a PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 777JB UT WOS:000291610600015 ER PT J AU Liu, YM Zhang, X AF Liu, Yongmin Zhang, Xiang TI Metamaterials: a new frontier of science and technology SO CHEMICAL SOCIETY REVIEWS LA English DT Review ID NEGATIVE REFRACTIVE-INDEX; ELECTROMAGNETICALLY INDUCED TRANSPARENCY; SPLIT-RING RESONATORS; PHOTONIC METAMATERIALS; OPTICAL FREQUENCIES; MAGNETIC METAMATERIALS; TRANSFORMATION OPTICS; TERAHERTZ; LIGHT; CLOAK AB Metamaterials, artificial composite structures with exotic material properties, have emerged as a new frontier of science involving physics, material science, engineering and chemistry. This critical review focuses on the fundamentals, recent progresses and future directions in the research of electromagnetic metamaterials. An introduction to metamaterials followed by a detailed elaboration on how to design unprecedented electromagnetic properties of metamaterials is presented. A number of intriguing phenomena and applications associated with metamaterials are discussed, including negative refraction, sub-diffraction-limited imaging, strong optical activities in chiral metamaterials, interaction of meta-atoms and transformation optics. Finally, we offer an outlook on future directions of metamaterials research including but not limited to three-dimensional optical metamaterials, nonlinear metamaterials and "quantum" perspectives of metamaterials (142 references). C1 [Liu, Yongmin; Zhang, Xiang] Univ Calif Berkeley, NSF Nanoscale Sci & Engn Ctr NSEC, Berkeley, CA 94720 USA. [Zhang, Xiang] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Zhang, X (reprint author), Univ Calif Berkeley, NSF Nanoscale Sci & Engn Ctr NSEC, 3112 Etcheverry Hall, Berkeley, CA 94720 USA. EM xiang@berkeley.edu RI Liu, Yongmin/F-5322-2010; Zhang, Xiang/F-6905-2011 FU NSF Nano-scale Science and Engineering Center (NSEC) [CMMI-0751621] FX The authors are grateful for the financial support from the NSF Nano-scale Science and Engineering Center (NSEC) under grant number CMMI-0751621. NR 141 TC 243 Z9 247 U1 37 U2 353 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0306-0012 EI 1460-4744 J9 CHEM SOC REV JI Chem. Soc. Rev. PY 2011 VL 40 IS 5 BP 2494 EP 2507 DI 10.1039/c0cs00184h PG 14 WC Chemistry, Multidisciplinary SC Chemistry GA 751PT UT WOS:000289630700029 PM 21234491 ER PT J AU Pasquarelli, RM Ginley, DS O'Hayre, R AF Pasquarelli, Robert M. Ginley, David S. O'Hayre, Ryan TI Solution processing of transparent conductors: from flask to film SO CHEMICAL SOCIETY REVIEWS LA English DT Review ID OXIDE THIN-FILMS; DOPED INDIUM OXIDE; PULSED-LASER DEPOSITION; CHEMICAL-VAPOR-DEPOSITION; SPRAY-PYROLYSIS TECHNIQUE; FIELD-EFFECT TRANSISTORS; CADMIUM STANNATE FILMS; SILICON SOLAR-CELLS; LOW-TEMPERATURE FABRICATION; UNIFORM SILVER NANOWIRES AB This critical review focuses on the solution deposition of transparent conductors with a particular focus on transparent conducting oxide (TCO) thin-films. TCOs play a critical role in many current and emerging opto-electronic devices due to their unique combination of electronic conductivity and transparency in the visible region of the spectrum. Atmospheric-pressure solution processing is an attractive alternative to conventional vacuum-based deposition methods due to its ease of fabrication, scalability, and potential to lower device manufacturing costs. An introduction into the applications of and material criteria for TCOs will be presented first, followed by a discussion of solution routes to these systems. Recent studies in the field will be reviewed according to their materials system. Finally, the challenges and opportunities for further enabling research will be discussed in terms of emerging oxide systems and non-oxide based transparent conductors (341 references). C1 [Pasquarelli, Robert M.; O'Hayre, Ryan] Colorado Sch Mines, Dept Met & Mat Engn, Golden, CO 80401 USA. [Ginley, David S.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Pasquarelli, RM (reprint author), Colorado Sch Mines, Dept Met & Mat Engn, Golden, CO 80401 USA. EM robert.pasquarelli@gmail.com RI O'Hayre, Ryan/A-8183-2009 NR 341 TC 128 Z9 131 U1 18 U2 227 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0306-0012 EI 1460-4744 J9 CHEM SOC REV JI Chem. Soc. Rev. PY 2011 VL 40 IS 11 BP 5406 EP 5441 DI 10.1039/c1cs15065k PG 36 WC Chemistry, Multidisciplinary SC Chemistry GA 833YK UT WOS:000295921500014 PM 21687838 ER PT J AU Sponer, JE Sponer, J Fuentes-Cabrera, M AF Sponer, Judit E. Sponer, Jiri Fuentes-Cabrera, Miguel TI Prebiotic Routes to Nucleosides: A Quantum Chemical Insight into the Energetics of the Multistep Reaction Pathways SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE glycosylation; nucleosides; origins of life; prebiotic chemistry; thermodynamics ID GLYCOSIDIC BOND-CLEAVAGE; PURINE NUCLEOSIDES; NUCLEIC-ACID; NUCLEOTIDES; MODEL; LIFE; RIBONUCLEOTIDES; CYTOSINE; DENSITY; RNA AB One of the most controversial questions of the RNA world theory is the formation of nucleosides through the reaction of nucleobases with ribose. The study presented herein discusses the thermodynamics of nucleoside formation under prebiotic conditions through the classical reaction route, which involves ribose and cytosine, as well as through the novel pathway suggested by Powner et al. [Nature 2009, 459, 239-242]. Our computations show that, in contrast to the classical pathway, the route proposed by Powner et al. perfectly satisfies all conditions of a typical metabolic pathway that occurs in living organisms. In addition, we reveal the reasons that render the reaction of ribose with nucleobases endothermic and, thereby, less plausible under prebiotic conditions. We show that phosphates may play an indispensable role in the glycosylation of nucleobases by making this endothermic reaction step exothermic. In addition, we describe the catalytic role of phosphate anions in the formation of 2-aminooxazole, which is one of the key steps of the synthetic route reported by Powner et al. C1 [Sponer, Judit E.; Sponer, Jiri] Acad Sci Czech Republic, Inst Biophys, CS-61265 Brno, Czech Republic. [Fuentes-Cabrera, Miguel] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Fuentes-Cabrera, Miguel] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Sponer, JE (reprint author), Acad Sci Czech Republic, Inst Biophys, Kralovopolska 135, CS-61265 Brno, Czech Republic. EM judit@ncbr.chemi.muni.cz RI Sponer, Jiri/D-9467-2012; Sponer, Judit/D-9918-2012; Fuentes-Cabrera, Miguel/Q-2437-2015 OI Fuentes-Cabrera, Miguel/0000-0001-7912-7079 FU Academy of Science of the Czech Republic [AVOZ50040507, AVOZ50040702]; Ministry of Education of the Czech Republic [MSM0021622413, LC06030, MSM6198959216, LC512]; Grant Agency of the Academy of Sciences of the Czech Republic [IAA400040802]; Grant Agency of the Czech Republic [P208/10/2302, 203/09/1476, 203/09/H046]; Division of Scientific User Facilities, U.S. Department of Energy (USDOE); Office of Science, USDOE [DEAC02-05CH11231]; National Science Foundation FX This work was supported by the Academy of Science of the Czech Republic (grant numbers AVOZ50040507, AVOZ50040702) and by the Ministry of Education of the Czech Republic grant numbers (MSM0021622413, and LC06030, MSM6198959216, LC512), the Grant Agency of the Academy of Sciences of the Czech Republic (grant number IAA400040802), and the Grant Agency of the Czech Republic (grant numbers P208/10/2302, 203/09/1476 and 203/09/H046). Work at Oak Ridge National Laboratory (ORNL) was supported by the Center for Nanophase Materials Sciences, sponsored by the Division of Scientific User Facilities, U.S. Department of Energy (USDOE), and used resources of the National Center for Computational Sciences, ORNL, supported by the Office of Science, USDOE. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the USDOE under contract no. DEAC02-05CH11231. It also used an allocation of advanced computing resources supported by the National Science Foundation; these computations were performed on Kraken (a Cray XT5) at the National Institute for Computational Sciences (http://www.nics.tennessee.edu/). J.E.S. and J.S. thank Zdenek Salvet for the maintenance of the computing facilities of the Brno group. The authors are indebted to the reviewers of this paper for their comments on the mechanistic role of phosphate ions. NR 41 TC 13 Z9 13 U1 2 U2 23 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2011 VL 17 IS 3 BP 847 EP 854 DI 10.1002/chem.201002057 PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 720DF UT WOS:000287259700016 PM 21226099 ER PT J AU Mehraeen, S Kulkarni, A Chi, MF Reed, BW Okamoto, NL Browning, ND Gates, BC AF Mehraeen, Shareghe Kulkarni, Apoorva Chi, Miaofang Reed, Bryan W. Okamoto, Norihiko L. Browning, Nigel D. Gates, Bruce C. TI Triosmium Clusters on a Support: Determination of Structure by X-ray Absorption Spectroscopy and High-Resolution Microscopy SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE aberration-corrected STEM; EXAFS spectroscopy; HAADF-STEM; MgO-supported clusters; osmium carbonyls ID TRANSMISSION ELECTRON-MICROSCOPY; CARBONYL CLUSTERS; METAL-CLUSTERS; OS3(CO)12; SURFACE; MGO; COMPLEXES; CATALYSIS; CRYSTAL; OSMIUM AB The structures of small, robust metal clusters on a solid support were determined by a combination of spectroscopic and microscopic methods: extended X-ray absorption fine structure (EXAFS) spectroscopy, scanning transmission electron microscopy (STEM), and aberration-corrected STEM. The samples were synthesized from [Os(3)(CO)(12)] on MgO powder to provide supported clusters intended to be triosmium. The results demonstrate that the supported clusters are robust in the absence of oxidants. Convention-al high-angle annular dark-field (HAADF) STEM images demonstrate a high degree of uniformity of the clusters, with root-mean-square (rms) radii of 2.03 +/- 0.06 angstrom. The EXAFS Os-Os coordination number of 2.1 +/- 0.4 confirms the presence of triosmium clusters on average and correspondingly determines an average rms cluster radius of 2.02 +/- 0.04 angstrom. The high-resolution STEM images show the individual Os atoms in the clusters, confirming the triangular structures of their frames and determining Os Os distances of 2.80 +/- 0.14 angstrom, matching the EXAFS value of 2.89 +/- 0.06 angstrom. TR and EXAFS spectra demonstrate the presence of CO ligands on the clusters. This set of techniques is recommended as optimal for detailed and reliable structural characterization of supported clusters. C1 [Mehraeen, Shareghe; Kulkarni, Apoorva; Okamoto, Norihiko L.; Browning, Nigel D.; Gates, Bruce C.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Chi, Miaofang] Oak Ridge Natl Lab, Div Mat Sci, Oak Ridge, TN 37830 USA. [Reed, Bryan W.; Browning, Nigel D.] Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA. RP Browning, ND (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, 1 Shields Ave, Davis, CA 95616 USA. EM nbrowning@ucdavis.edu; bcgates@ucdavis.edu RI Okamoto, Norihiko/A-7345-2010; Reed, Bryan/C-6442-2013; Chi, Miaofang/Q-2489-2015; OI Okamoto, Norihiko/0000-0003-0199-7271; Chi, Miaofang/0000-0003-0764-1567; Browning, Nigel/0000-0003-0491-251X FU National Science Foundation [CTS-05-00511]; ExxonMobil FX This work was supported by the National Science Foundation, GOALI Grant CTS-05-00511. We acknowledge the National Synchrotron Light Source, a national user facility operated by Brookhaven National Laboratory on behalf of the US Department of Energy, Office of Science, Basic Energy Sciences, for access to beam time at beam line X-18B. The electron microscopy experiments were performed at the Oak Ridge National Laboratory SHaRE User Facility, which is supported by the Division of Scientific User Facilities, DOE Office of Science, Basic Energy Sciences. We thank ExxonMobil for partial support of this work. NR 48 TC 6 Z9 6 U1 0 U2 7 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2011 VL 17 IS 3 BP 1000 EP 1008 DI 10.1002/chem.201000860 PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 720DF UT WOS:000287259700035 PM 21226118 ER PT J AU Szigethy, G Raymond, KN AF Szigethy, Geza Raymond, Kenneth N. TI The Influence of Linker Geometry in Bis(3-hydroxy-N-methyl-pyridin-2-one) Ligands on Solution Phase Uranyl Affinity SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE analytical methods; ligand effects; speciation; thermodynamics; uranium ID STEREOGNOSTIC COORDINATION CHEMISTRY; SEQUESTERING AGENTS; CHELATING-AGENTS; EQUILIBRIUM-CONSTANTS; CRYSTAL-STRUCTURE; UO22+ COMPLEXES; DESIGN; URANIUM(VI); ACTINIDES; PROGRAM AB Seven water-soluble, tetradentate bis(3-hydroxy-N-methyl-pyridin-2-one) (bis-Me-3,2-HOPO) ligands were synthesized that vary only in linker geometry and rigidity. Solution-phase thermodynamic measurements were conducted between pH 1.6 and pH 9.0 to determine the effects of these variations on proton and uranyl cation affinity. Proton affinity decreases by introduction of the solubilizing triethylene glycol group as compared to unsubstituted reference ligands. Uranyl affinity was found to follow no discernable trends with incremental geometric modification. The butyl-linked 4li-Me-3,2-HOPO ligand exhibited the highest uranyl affinity, consistent with prior in vivo decorporation results. Of the rigidly-linked ligands, the o-phenylene linker imparted the best uranyl affinity to the bis-Me-3,2-HOPO ligand platform. C1 [Szigethy, Geza; Raymond, Kenneth N.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Szigethy, Geza; Raymond, Kenneth N.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Raymond, KN (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM raymond@socrates.berkeley.edu FU Office of Science, Office of Basic Energy Sciences; Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy at LBNL [DE-AC02-05CH11231] FX We would like to thank Drs. Rebecca Abergel and Trisha Hoette for assistance with the titrations measurement and data treatment. This research is supported by the Director, Office of Science, Office of Basic Energy Sciences, and the Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy at LBNL under Contract No. DE-AC02-05CH11231. NR 49 TC 10 Z9 10 U1 2 U2 20 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2011 VL 17 IS 6 BP 1818 EP 1827 DI 10.1002/chem.201002372 PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 727GW UT WOS:000287787100013 PM 21274933 ER PT J AU Ma, SQ Goenaga, GA Call, AV Liu, DJ AF Ma, Shengqian Goenaga, Gabriel A. Call, Ann V. Liu, Di-Jia TI Cobalt Imidazolate Framework as Precursor for Oxygen Reduction Reaction Electrocatalysts SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE cobalt; electrocatalysts; metal-organic frameworks; oxygen reduction reaction ID METAL-ORGANIC FRAMEWORKS; FUEL-CELL CATHODE; CATALYSTS; NETWORKS; POLYMERS; STORAGE; DESIGN C1 [Ma, Shengqian; Goenaga, Gabriel A.; Liu, Di-Jia] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Call, Ann V.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. RP Liu, DJ (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM djliu@anl.gov RI Ma, Shengqian/B-4022-2012 OI Ma, Shengqian/0000-0002-1897-7069 FU Office of Science, U.S. Department of Energy [DE-AC02-06CH11357]; Argonne National Laboratory FX This work and the use of Advanced Photon Source are supported by Office of Science, U.S. Department of Energy under Contract DE-AC02-06CH11357. S.M. acknowledges the Director's Postdoctoral Fellowship from Argonne National Laboratory. Authors wish to thank Professor Louise Liu of Texas A&M for the support of TEM and XPS studies and Dr. Jianglan Shui and Dr. Shengwen Yuan for additional experimental support. NR 30 TC 136 Z9 137 U1 26 U2 134 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2011 VL 17 IS 7 BP 2063 EP 2067 DI 10.1002/chem.201003080 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 729XB UT WOS:000287986500007 PM 21294177 ER PT S AU Oprea, TI May, EE Leitao, A Tropsha, A AF Oprea, Tudor I. May, Elebeoba E. Leitao, Andrei Tropsha, Alexander BE Bajorath, J TI Computational Systems Chemical Biology SO CHEMOINFORMATICS AND COMPUTATIONAL CHEMICAL BIOLOGY SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Drug-target-clinical outcome triplets; Pharmacodynamics/pharmacokinetics; Biological networks; Cheminformatics; QSAR modeling; Biochemical network simulations; Systems biology ID VALIDATED QSAR MODELS; DRUG DISCOVERY; MYCOBACTERIUM-TUBERCULOSIS; PHARMACOLOGICAL SPACE; MOLECULAR RECOGNITION; SOFTWARE ENVIRONMENT; HIGH-THROUGHPUT; DATABASE; DOCKING; OPINION AB There is a critical need for improving the level of chemistry awareness in systems biology The data and information related to modulation of genes and proteins by small molecules continue to accumulate at the same time as simulation tools in systems biology and whole body physiologically based pharmacokinetics (PBPK) continue to evolve We called this emerging area at the interface between chemical biology and systems biology systems chemical biology (SCB) (Nat Chem Biol 3 447-450, 2007) The overarching goal of computational SCB is to develop tools for integrated chemical biological data acquisition, filtering and processing, by taking into account relevant information related to interactions between proteins and small molecules, possible metabolic transformations of small molecules, as well as associated information related to genes, networks, small molecules, and, where applicable, mutants and variants of those proteins There is yet an unmet need to develop an integrated in silico pharmacology/systems biology continuum that embeds drug-target-clinical outcome (DTCO) triplets, a capability that is vital to the future of chemical biology, pharmacology, and systems biology Through the development of the SCB approach, scientists will be able to stair addressing, in an integrated simulation environment, questions that make the best use of our ever-growing chemical and biological data repositories at the system-wide level. This chapter reviews some of the major research concepts and describes key components that constitute the emerging area of computational systems chemical biology C1 [Oprea, Tudor I.; Leitao, Andrei] Univ New Mexico, Sch Med, Dept Biochem & Mol Biol, Albuquerque, NM 87131 USA. [May, Elebeoba E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Tropsha, Alexander] Univ N Carolina, Lab Mol Modeling, Div Med Chem & Nat Prod, Eshelman Sch Pharm, Chapel Hill, NC USA. RP Oprea, TI (reprint author), Univ New Mexico, Sch Med, Dept Biochem & Mol Biol, Albuquerque, NM 87131 USA. RI Oprea, Tudor/A-5746-2011 OI Oprea, Tudor/0000-0002-6195-6976 FU NIGMS NIH HHS [R01 GM066940, R01GM066940, R21GM076059]; NIMH NIH HHS [1U54MH084690-01] NR 87 TC 13 Z9 13 U1 0 U2 6 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-60761-838-6 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2011 VL 672 BP 459 EP 488 DI 10.1007/978-1-60761-839-3_18 D2 10.1007/978-1-60761-839-3 PG 30 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BRE04 UT WOS:000282464300018 PM 20838980 ER PT J AU Kibanova, D Nieto-Camacho, A Ramirez-Apan, T Cervini-Silva, J AF Kibanova, Dania Nieto-Camacho, Antonio Ramirez-Apan, Teresa Cervini-Silva, Javiera TI Determination of lipid peroxidation and cytotoxicity in calcium, magnesium, titanium and hectorite (SHCa-1) suspensions SO CHEMOSPHERE LA English DT Article DE Lipid peroxidation; Small-sized mineral toxicity; Calcium; Magnesium; Hectorite ID OXIDATIVE STRESS; RAT-BRAIN; TOXICITY; ACID; MITOCHONDRIAL; DEFICIENCY; METABOLISM; SENESCENCE; DIOXIDE; TISSUES AB This paper reports data on the relative ability of CaO, CaCl2, MgO. MgCl2. TiO2, and hectorite (SHCa-1) to induce oxidative stress (as determined by lipid peroxidation. LP) in biological matrices. The effectiveness of structural (oxide form) versus soluble Ca and Mg to induce LP is compared. An assessment on cytotoxicity as affected by soluble and structural Ca, Mg, TiO2 and SHCa-1 is also addressed. LP was screened and monitored using the Thiobarbituric Acid Reactive Substances (TBARS). The extent of TBARS production was found to vary with the type and initial concentration of the soluble or structural cation, Ca or Mg respectively. Obtained results showed higher magnitude values for the latter set of experiments. In the presence of TiO2 no significant TBARS production was detected pointing out a negligible effect of TiO2 on LP. At solid concentrations ca. 100 ppm, CaO appears to be more effective than SHCa-1 to induce LP. By contrast at ca. 25 ppm, MgO appears to be more effective than the clay mineral. The SHCa-1 LP-inducing activity has been proven to closely relate to structural Ca. The prevalence of mechanisms that may induce LP but not cytotoxicity (as determined by cell growth inhibition) was also addressed. Results on cell growth inhibition as affected by soluble and structural Ca, Mg, TiO2 and hectorite provide evidence to support that structural Ca or Mg brings about significantly higher variations than soluble Ca. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Kibanova, Dania] Univ Nacl Autonoma Mexico, Fac Quim, Mexico City 04510, DF, Mexico. [Nieto-Camacho, Antonio; Ramirez-Apan, Teresa] Univ Nacl Autonoma Mexico, Inst Quim, Mexico City 04510, DF, Mexico. [Cervini-Silva, Javiera] Univ Autonoma Metropolitana, Unidad Cuajimalpa, Mexico City 01120, DF, Mexico. [Cervini-Silva, Javiera] Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA USA. RP Cervini-Silva, J (reprint author), Univ Autonoma Metropolitana, Dept Proc & Tecnol, Div Ciencias Nat & Ingn, Unidad Cuajimalpa UAM C, Artificios 40,6 Piso, Mexico City 01120, DF, Mexico. EM jcervinisilva@yahoo.com FU ECACORE 2020 (SEMARNAT CONACYT) [23496]; Universidad Autonoma Metropolitana Unidad Cuajimalpa FX The authors thank Lic Maria del Rocio Galindo Ortega (UAM-Cuajimalpa) for technical assistance. This project was supported in part by Universidad Autonoma Metropolitana Unidad Cuajimalpa and ECACORE 2020 (SEMARNAT CONACYT 23496). NR 38 TC 9 Z9 9 U1 2 U2 15 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0045-6535 EI 1879-1298 J9 CHEMOSPHERE JI Chemosphere PD JAN PY 2011 VL 82 IS 3 BP 418 EP 423 DI 10.1016/j.chemosphere.2010.09.069 PG 6 WC Environmental Sciences SC Environmental Sciences & Ecology GA 710EN UT WOS:000286493800016 PM 20970157 ER PT J AU Townsend, TK Sabio, EM Browning, ND Osterloh, FE AF Townsend, Troy K. Sabio, Erwin M. Browning, Nigel D. Osterloh, Frank E. TI Improved Niobate Nanoscroll Photocatalysts for Partial Water Splitting SO CHEMSUSCHEM LA English DT Article DE heterogeneous catalysis; hydrogen; nanoparticles; niobium; water splitting ID HYDROGEN EVOLUTION; VISIBLE-LIGHT; NANOSHEETS; CATALYSTS; OXIDATION; K4NB6O17; EXFOLIATION; METHANOL; SIZE AB Layered K4Nb6O12 is a known UV-light-driven photocatalyst for overall water splitting, with a band gap of 3.5 eV. Following ion exchange and exfoliation with tetrabutylammonium hydroxide, the layered material separates into nanosheets that coil into 1.0 +/- 0.5 mu m long and 10 +/- 5 nm wide nanoscrolls to reduce their surface energy. Pt and IrOx (x = 1.5-2) nanoparticles were photochemically deposited onto the surface of the nanoscrolls to produce two- and three-component photocatalysts. Under UV irradiation, the nanostructures produced H-2 from pure water and aqueous methanol, with turnover numbers ranging from 2.3 and 18.5 over a 5 h period. The activity of the catalysts for H-2 evolution can be directly correlated with the varying overpotentials for water reduction (210-325 mV). From water, no oxygen is evolved. Instead, the formation of surface-bound peroxides in a 1:1 stoichiometry with H-2 is observed. Slow photochemical oxygen evolution can be achieved with the sacrificial electron acceptor AgNO3, and under an electrochemical bias. The electrochemical water oxidation overpotentials are ca. 600 mV across the series of scrolls. From the photo onset potential the conduction band edge for the unmodified scrolls is estimated as -0.75 V at pH 7. Deposition of a co-catalyst is found to depress this value by 58 mV (IrOx), 148 mV (Pt/IrOx), and 242 mV (Pt). However, because water oxidation remains rate-limiting, this does not affect the overall performance of the catalysts. C1 [Townsend, Troy K.; Sabio, Erwin M.; Osterloh, Frank E.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [Browning, Nigel D.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Browning, Nigel D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Townsend, TK (reprint author), Univ Calif Davis, Dept Chem, 1 Shields Ave, Davis, CA 95616 USA. EM fosterloh@ucdavis.edu RI Dom, Rekha/B-7113-2012; OI Browning, Nigel/0000-0003-0491-251X; Osterloh, Frank /0000-0002-9288-3407 FU National Science Foundation (NSF) [0829142]; US Department of Energy [FG02-03ER46057] FX This work was supported by grant 0829142 of the National Science Foundation (NSF) and grant FG02-03ER46057 of the US Department of Energy. T.K.T. thanks NSF for a graduate student fellowship 2010 (NSFGRFP) and his group members for advice. N.D.B. thanks the US Department of Energy for support (grant FG02-03ER46057). NR 31 TC 31 Z9 31 U1 7 U2 70 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1864-5631 J9 CHEMSUSCHEM JI ChemSusChem PY 2011 VL 4 IS 2 SI SI BP 185 EP 190 DI 10.1002/cssc.201000377 PG 6 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA 730OM UT WOS:000288043400010 PM 21246751 ER PT J AU Krejci, MR Finney, L Vogt, S Joester, D AF Krejci, Minna R. Finney, Lydia Vogt, Stefan Joester, Derk TI Selective Sequestration of Strontium in Desmid Green Algae by Biogenic Co-precipitation with Barite SO CHEMSUSCHEM LA English DT Article DE alkaline earth metals; biomineralization; environmental chemistry; green algae; X-ray fluorescence microscopy ID AQUEOUS-SOLUTIONS; SOLID-SOLUTIONS; CRYSTALS; MICROPROBE; GROWTH C1 [Krejci, Minna R.; Joester, Derk] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Finney, Lydia] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Finney, Lydia; Vogt, Stefan] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Joester, D (reprint author), Northwestern Univ, Dept Mat Sci & Engn, 2220 Campus Dr, Evanston, IL 60208 USA. EM d-joester@northwestern.edu RI Joester, Derk/B-7525-2009; Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013 OI Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513 FU Initiative for Sustainability and Energy at NU (ISEN); NSF-NSEC; NSF-MRSEC; Keck Foundation; State of Illinois; NU; U.S. DoE, Office of Science, BES [DE-AC02-06CH11357] FX This work was in part supported by a booster award from the Initiative for Sustainability and Energy at NU (ISEN). Confocal microscopy and cryofixation was performed at the NU Biological Imaging Facility. SEM/EDS was performed at NUANCE, which is supported by NSF-NSEC, NSF-MRSEC, Keck Foundation, the State of Illinois, and NU. Use of the APS at Argonne National Laboratory was supported by the U.S. DoE, Office of Science, BES, under Contract No. DE-AC02-06CH11357. M.R.K. holds a Laboratory-Graduate Research Appointment at ANL. NR 20 TC 17 Z9 17 U1 2 U2 18 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1864-5631 J9 CHEMSUSCHEM JI ChemSusChem PY 2011 VL 4 IS 4 BP 470 EP 473 DI 10.1002/cssc.201000448 PG 4 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA 755MT UT WOS:000289936900006 PM 21488170 ER PT J AU Choi, S Gray, ML Jones, CW AF Choi, Sunho Gray, McMahan L. Jones, Christopher W. TI Amine-Tethered Solid Adsorbents Coupling High Adsorption Capacity and Regenerability for CO2 Capture From Ambient Air SO CHEMSUSCHEM LA English DT Article DE adsorption; carbon capture; immobilization; kinetics; sequestration ID CARBON-DIOXIDE CAPTURE; MESOPOROUS MOLECULAR-SIEVE; FLUE-GAS; SILICA NANOPARTICLES; REGENERATION; ABSORPTION; ACTIVATION; ATMOSPHERE; SEPARATION; MEMBRANES AB Silica supported poly(ethyleneimine) (PEI) materials are prepared via impregnation and demonstrated to be promising adsorbents for CO2 capture from ultra-dilute gas streams such as ambient air. A prototypical class 1 adsorbent, containing 45 wt% PEI (PEI/silica), and two new modified PEI-based aminosilica adsorbents, derived from PEI modified with 3-amino-propyltrimethoxysilane (A-PEI/silica) or tetraethyl orthotitanate (T-PEI/silica), are prepared and characterized by using thermogravimetric analysis and FTIR spectroscopy. The modifiers are shown to enhance the thermal stability of the polymer-oxide composites, leading to higher PEI decomposition temperatures. The modified adsorbents present extremely high CO2 adsorption capacities under conditions simulating ambient air (400 ppm CO2 in inert gas), exceeding 2 mol(CO2) kg(sorbent)(-1), as well as enhanced adsorption kinetics compared to conventional class 1 sorbents. The new adsorbents show excellent stability in cyclic adsorption-desorption operations, even under dry conditions in which aminosilica adsorbents are known to lose capacity due to urea formation. Thus, the adsorbents of this type can be considered promising materials for the direct capture of CO2 from ultra-dilute gas streams such as ambient air. C1 [Choi, Sunho; Jones, Christopher W.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. [Gray, McMahan L.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Choi, S (reprint author), Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. EM christopher.jones@chbe.gatech.edu FU U.S. Department of Energy; National Energy Technology Laboratory; Camille and Henry Dreyfus Foundation FX Partial funding was provided by the U.S. Department of Energy, National Energy Technology Laboratory, and the Camille and Henry Dreyfus Foundation's Postdoctoral Program in Environmental Chemistry. S.C. is a Camille and Henry Dreyfus Environmental Chemistry Fellow. C.W.J. thanks Peter Eisenberger for useful discussions and collaboration in the area of CO2 capture from ambient air. NR 43 TC 119 Z9 122 U1 12 U2 118 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1864-5631 J9 CHEMSUSCHEM JI ChemSusChem PY 2011 VL 4 IS 5 BP 628 EP 635 DI 10.1002/cssc.201000355 PG 8 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA 764FX UT WOS:000290616100010 PM 21548105 ER PT J AU She, XY Brown, HM Zhang, X Ahring, BK Wang, Y AF She, Xiaoyan Brown, Heather M. Zhang, Xiao Ahring, Birgitte K. Wang, Yong TI Selective Hydrogenation of Trans,Trans-Muconic Acid to Adipic Acid over a Titania-Supported Rhenium Catalyst SO CHEMSUSCHEM LA English DT Article DE hydrogenation; renewable resources; rhenium; adipic acid; supported catalysts ID AERIAL OXIDATION; SOLVENT; CONVERSION; CHEMISTRY; CHEMICALS; PD/AL2O3; GLYCEROL; BIOMASS; CARBON; OXIDE C1 [She, Xiaoyan; Zhang, Xiao; Ahring, Birgitte K.] Washington State Univ Tricities, Sch Chem Engn & Bioengn, Ctr Bioprod & Bioenergy, Richland, WA 99354 USA. [Brown, Heather M.; Wang, Yong] Pacific NW Natl Lab, Richland, WA 99354 USA. [Wang, Yong] Washington State Univ, Sch Chem Engn & Bioengn, Pullman, WA 99164 USA. RP Zhang, X (reprint author), Washington State Univ Tricities, Sch Chem Engn & Bioengn, Ctr Bioprod & Bioenergy, 2710 Crimson Way, Richland, WA 99354 USA. EM xiaozhang@tricity.wsu.edu RI Wang, Yong/C-2344-2013 FU Environment Canada under the Asia Pacific Partnership on Clean Development & Climate Program; Washington State's STAR Researcher grant FX This work was supported by Environment Canada under the Asia Pacific Partnership on Clean Development & Climate Program, and Washington State's STAR Researcher grant. We thank Sasol North America for the gamma-Al2O3 sample, Dr. Kake Zhu for the SBA-15 sample, and Dr. Haiying Wan for the meso-ZSM5 samples. We also thank Karl Albrecht for valuable suggestions to the manuscript. NR 30 TC 10 Z9 10 U1 1 U2 27 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1864-5631 J9 CHEMSUSCHEM JI ChemSusChem PY 2011 VL 4 IS 8 BP 1071 EP 1073 DI 10.1002/cssc.201100020 PG 3 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA 818HA UT WOS:000294741200010 PM 21688400 ER PT J AU Schwenzer, B Zhang, JL Kim, S Li, LY Liu, J Yang, ZG AF Schwenzer, Birgit Zhang, Jianlu Kim, Soowhan Li, Liyu Liu, Jun Yang, Zhenguo TI Membrane Development for Vanadium Redox Flow Batteries SO CHEMSUSCHEM LA English DT Review DE electrochemistry; energy storage; membranes; materials science; vanadium ID CATION-EXCHANGE MEMBRANES; METHANOL FUEL-CELL; NAFION/SILICA HYBRID MEMBRANE; MODIFIED NAFION MEMBRANE; SULFURIC-ACID-SOLUTIONS; COMPOSITE MEMBRANE; TRANSPORT-PROPERTIES; GELLED-ELECTROLYTE; ION BATTERIES; ETHER KETONE) AB Large-scale energy storage has become the main bottleneck for increasing the percentage of renewable energy in our electricity grids. Redox flow batteries are considered to be among the best options for electricity storage in the megawatt range and large demonstration systems have already been installed. Although the full technological potential of these systems has not been reached yet, currently the main problem hindering more widespread commercialization is the high cost of redox flow batteries. Nafion, as the preferred membrane material, is responsible for about 11% of the overall cost of a 1 MW/8MWh system. Therefore, in recent years two main membrane-related research threads have emerged: 1) chemical and physical modification of Nafion membranes to optimize their properties with regard to vanadium redox flow battery (VRFB) application; and 2) replacement of the Nafion membranes with different, less expensive materials. This review summarizes the underlying basic scientific issues associated with membrane use in VRFBs and presents an overview of membrane-related research approaches aimed at improving the efficiency of VRFBs and making the technology cost-competitive. Promising research strategies and materials are identified and suggestions are provided on how materials issues could be overcome. C1 [Schwenzer, Birgit; Kim, Soowhan; Li, Liyu; Liu, Jun; Yang, Zhenguo] Pacific NW Natl Lab, Richland, WA 99352 USA. [Zhang, Jianlu] Chinese Acad Sci, Dalian Inst Chem Phys, Proton Exchange Membrane Fuel Cell Key Mat & Tech, Dalian 116023, Peoples R China. RP Schwenzer, B (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM birgit.schwenzer@pnnl.gov; jun.liu@pnnl.gov; zgary.yang@pnnl.gov OI Schwenzer, Birgit/0000-0002-7872-1372 FU Office of Electricity (OE Delivery & Energy Reliability, US Department of Energy [DOE]) [57558]; Department of Energy [DE-AC05-76RL01830] FX The work is supported by the Office of Electricity (OE Delivery & Energy Reliability, US Department of Energy [DOE]) under contract number 57558. PNNL is a multiprogram laboratory operated by Battelle Memorial Institute for the Department of Energy under contract DE-AC05-76RL01830. NR 83 TC 147 Z9 151 U1 21 U2 227 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1864-5631 J9 CHEMSUSCHEM JI ChemSusChem PY 2011 VL 4 IS 10 SI SI BP 1388 EP 1406 DI 10.1002/cssc.201100068 PG 19 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA 841FH UT WOS:000296497400003 PM 22102992 ER PT J AU Chou, NH Ross, PN Bell, AT Tilley, TD AF Nam Hawn Chou Ross, Philip N. Bell, Alexis T. Tilley, T. Don TI Comparison of Cobalt-based Nanoparticles as Electrocatalysts for Water Oxidation SO CHEMSUSCHEM LA English DT Article DE cobalt; electrocatalysis; nanoparticles; oxygen; water splitting C1 [Nam Hawn Chou; Ross, Philip N.; Bell, Alexis T.; Tilley, T. Don] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Nam Hawn Chou; Ross, Philip N.; Bell, Alexis T.; Tilley, T. Don] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Nam Hawn Chou; Ross, Philip N.; Bell, Alexis T.; Tilley, T. Don] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Chou, NH (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM alexisbell@uclink.berkeley.edu; tdtilley@berkeley.edu OI Bell, Alexis/0000-0002-5738-4645 FU Helios Solar Energy Research Center; Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC0205CH11231] FX The authors acknowledge Prof. A. Paul Alivisatos for use of the XRD and TEM instruments. Funding for this work was provided by the Helios Solar Energy Research Center, which is supported by the Director, Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract DE-AC0205CH11231. NR 1 TC 87 Z9 87 U1 3 U2 60 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1864-5631 J9 CHEMSUSCHEM JI ChemSusChem PY 2011 VL 4 IS 11 BP 1566 EP 1569 DI 10.1002/cssc.201100075 PG 4 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA 847XB UT WOS:000297004900007 PM 21997965 ER PT J AU Lebarbier, VM Karim, AM Engelhard, MH Wu, Y Xu, BQ Petersen, EJ Datye, AK Wang, Y AF Lebarbier, Vanessa M. Karim, Ayman M. Engelhard, Mark H. Wu, Yu Xu, Bo-Qing Petersen, Eric J. Datye, Abhaya K. Wang, Yong TI The Effect of Zinc Addition on the Oxidation State of Cobalt in Co/ZrO2 Catalysts SO CHEMSUSCHEM LA English DT Article DE catalysis; cobalt; ethanol; steam reforming; zinc AB The effect of zinc promotion on the oxidation state of cobalt in Co/ZrO2 catalysts was investigated and correlated with the activity and selectivity for ethanol steam reforming (ESR). Catalysts were synthesized by applying incipient wetness impregnation and characterized by using BrunauerEmmettTeller (BET), temperature-programmed reduction (TPR) measurements, X-ray diffraction (XRD), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS). Higher ethanol conversion and lower CH4 selectivity are observed for the Co/ZrO2 catalyst promoted with Zn as compared to the Co/ZrO2 catalyst alone. Addition of Zn inhibits the oxidation of metallic cobalt (Co0) particles and results in a higher ratio of Co0/Co2+ in the Zn-promoted Co/ZrO2 catalyst. These results suggest that metallic cobalt (Co0) is more active than Co2+ in the ethanol conversion through dehydrogenation and that Co2+ may play a role in the CH4 formation. TPR measurements, on the other hand, reveal that Zn addition inhibits the reduction of Co2+ and Co3+, which would lead to the false conclusion that oxidized Co is required to reduce the CH4 formation. Therefore, TPR measurements may not be appropriate to correlate the degree of metal reducibility (in this case Co0) with the catalyst activity for reactions, such as ESR, where oxidizing conditions exist. C1 [Lebarbier, Vanessa M.; Karim, Ayman M.; Engelhard, Mark H.; Wang, Yong] Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. [Lebarbier, Vanessa M.; Petersen, Eric J.; Datye, Abhaya K.] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87106 USA. [Wu, Yu; Xu, Bo-Qing] Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China. [Wang, Yong] Washington State Univ, Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA. RP Lebarbier, VM (reprint author), Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. EM yongwang@pnl.gov RI Engelhard, Mark/F-1317-2010; Wang, Yong/C-2344-2013; Xu, Bo-Qing/E-1674-2013; Karim, Ayman/G-6176-2012; OI Karim, Ayman/0000-0001-7449-542X; Engelhard, Mark/0000-0002-5543-0812; Datye, Abhaya/0000-0002-7126-8659 FU U.S. Department of Energy's Office of Biological and Environmental Research, located at Pacific Northwest National Laboratory in Richland, WA; U.S. Department of Energy [DE-FG02-05ER15712]; NSF China [20828007] FX This work was performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research, located at Pacific Northwest National Laboratory in Richland, WA. We greatly acknowledge funding for this work, which was provided by the U.S. Department of Energy (DE-FG02-05ER15712) and the NSF China (20828007). NR 0 TC 25 Z9 25 U1 5 U2 47 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1864-5631 J9 CHEMSUSCHEM JI ChemSusChem PY 2011 VL 4 IS 11 BP 1679 EP 1684 DI 10.1002/cssc.201100240 PG 6 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA 847XB UT WOS:000297004900026 PM 21919212 ER PT S AU Froehlich, J AF Froehlich, John BE Jarvis, RP TI Studying Arabidopsis Envelope Protein Localization and Topology Using Thermolysin and Trypsin Proteases SO CHLOROPLAST RESEARCH IN ARABIDOPSIS: METHODS AND PROTOCOLS, VOL I SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Envelope membrane; Protein targeting; Transmembrane domain; Protease; Topology; Thermolysin; Trypsin ID CHLOROPLAST ENVELOPE; MEMBRANE; IMPORT; PROTEOMICS; TRANSPORT; INSERTION; THALIANA; SYNTHASE; PATHWAY; DOMAIN AB Chloroplasts are metabolically important organelles that perform many essential functions within plant cells. The chloroplasts can be subdivided into six distinct sub-compartments to which a protein may be ultimately targeted. These sub-compartments are defined as the outer envelope membrane (OEM), the inner envelope membrane (EM), the thylakoid membrane, and three aqueous sub-compartments the intermembrane space (IMS), the stroma, and the thylakoid lumen. The process by which proteins are targeted to the chloroplastic envelope membrane remains a challenging question in cell biology. Our understanding of protein targeting to the OEM is very limited, whereas targeting of membrane proteins to the IEM appears to utilize at least two targeting pathways called the stop-transfer and the conservative sorting (or post-import) pathways. Furthermore, once a membrane protein arrives at the envelope membrane, our understanding of how it achieves its final topology remains limited. One method that can be used to determine the topology of an envelope membrane protein is to apply the "dual protease" strategy. This approach involves several steps: first, performing an in vitro import assay; second, applying a "dual protease" protection assay using thermolysin and trypsin; and finally, isolating and analyzing chloroplastic subcellular fractionations (i.e., total membrane and soluble fractions). By using this multistep approach, one can gain critical information regarding the final topology of an OEM or IEM protein. Likewise, the "dual protease" approach may help in elucidating the possible targeting pathway that a membrane protein utilizes prior to its insertion into the envelope membrane. C1 [Froehlich, John] Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. RP Froehlich, J (reprint author), Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. NR 22 TC 5 Z9 5 U1 0 U2 9 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-61779-233-5 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2011 VL 774 BP 351 EP 367 DI 10.1007/978-1-61779-234-2_21 D2 10.1007/978-1-61779-234-2 PG 17 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Plant Sciences SC Biochemistry & Molecular Biology; Plant Sciences GA BWM94 UT WOS:000294269700021 PM 21822849 ER PT J AU Leung, LR Huang, MY Qian, Y Liang, X AF Leung, L. Ruby Huang, Maoyi Qian, Yun Liang, Xu TI Climate-soil-vegetation control on groundwater table dynamics and its feedbacks in a climate model SO CLIMATE DYNAMICS LA English DT Article DE Climate; Groundwater table dynamics; Land-atmosphere feedbacks; Regional climate modeling ID LAND-SURFACE SCHEME; PART I; SPATIAL VARIABILITY; UNITED-STATES; PARAMETERIZATION; MOISTURE; SIMULATION; IMPLEMENTATION; REPRESENTATION; PRECIPITATION AB Among the three dynamically linked branches of the water cycle, including atmospheric, surface, and subsurface water, groundwater is the largest reservoir and an active component of the hydrologic system. Because of the inherent slow response time, groundwater may be particularly relevant for long time-scale processes such as multi-years or decadal droughts. This study uses regional climate simulations with and without surface water groundwater interactions for the conterminous US to assess the influence of climate, soil, and vegetation on groundwater table dynamics, and its potential feedbacks to regional climate. Analyses show that precipitation has a dominant influence on the spatial and temporal variations of groundwater table depth (GWT). The simulated GWT is found to decrease sharply with increasing precipitation. Our simulation also shows some distinct spatial variations that are related to soil porosity and hydraulic conductivity. Vegetation properties such as minimum stomatal resistance, and root depth and fraction are also found to play an important role in controlling the groundwater table. Comparing two simulations with and without groundwater table dynamics, we find that groundwater table dynamics mainly influences the partitioning of soil water between the surface (0-0.5 m) and subsurface (0.5-5 m) rather than total soil moisture. In most areas, groundwater table dynamics increases surface soil moisture at the expense of the subsurface, except in regions with very shallow groundwater table. The change in soil water partitioning between the surface and subsurface is found to strongly correlate with the partitioning of surface sensible and latent heat fluxes. The evaporative fraction (EF) is generally higher during summer when groundwater table dynamics is included. This is accompanied by increased cloudiness, reduced diurnal temperature range, cooler surface temperature, and increased cloud top height. Although both convective and non-convective precipitation are enhanced, the higher EF changes the partitioning to favor more non-convective precipitation, but this result could be sensitive to the convective parameterization used. Compared to simulations without groundwater table dynamics, the dry bias in the summer precipitation is slightly reduced over the central and eastern US Groundwater table dynamics can provide important feedbacks to atmospheric processes, and these feedbacks are stronger in regions with deeper groundwater table, because the interactions between surface and subsurface are weak when the groundwater table is deep. This increases the sensitivity of surface soil moisture to precipitation anomalies, and therefore enhances land surface feedbacks to the atmosphere through changes in soil moisture and evaporative fraction. By altering the groundwater table depth, land use change and groundwater withdrawal can alter land surface response. and feedback to the climate system. C1 [Leung, L. Ruby; Huang, Maoyi; Qian, Yun] Pacific NW Natl Lab, Richland, WA 99352 USA. [Liang, Xu] Univ Pittsburgh, Pittsburgh, PA USA. [Liang, Xu] Sichuan Univ, State Key Lab Hydraul & Mt River Engn, Chengdu 610064, Peoples R China. RP Leung, LR (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM Ruby.Leung@pnl.gov RI qian, yun/E-1845-2011; Huang, Maoyi/I-8599-2012 OI Huang, Maoyi/0000-0001-9154-9485 FU Department of Energy (DOE); China Ministry of Science and Technology on regional climate research; University of Pittsburgh [DE-FG-02-08ER64586]; US DOE [DE-AC06-76RLO330 1830] FX This study was supported by the Department of Energy (DOE) bilateral agreement between DOE and China Ministry of Science and Technology on regional climate research and by the DOE Climate Change Prediction Program (CCPP) on abrupt climate change to the Pacific Northwest National Laboratory and the University of Pittsburgh (DE-FG-02-08ER64586). We thank Dr. Huilin Gao for sharing her postprocessed GRACE data averaged over the 13 regions used in our analysis. Pacific Northwest National Laboratory is operated for the US DOE by Battelle Memorial Institute under contract DE-AC06-76RLO330 1830. NR 55 TC 38 Z9 38 U1 0 U2 48 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0930-7575 EI 1432-0894 J9 CLIM DYNAM JI Clim. Dyn. PD JAN PY 2011 VL 36 IS 1-2 BP 57 EP 81 DI 10.1007/s00382-010-0746-x PG 25 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 710DY UT WOS:000286492300004 ER PT J AU Ray, P Zhang, CD Moncrieff, MW Dudhia, J Caron, JM Leung, LR Bruyere, C AF Ray, Pallav Zhang, Chidong Moncrieff, Mitchell W. Dudhia, Jim Caron, Julie M. Leung, L. Ruby Bruyere, Cindy TI Role of the atmospheric mean state on the initiation of the Madden-Julian oscillation in a tropical channel model SO CLIMATE DYNAMICS LA English DT Article DE Madden-Julian oscillation; Intraseasonal variability; Mean state; Extratropical influence; Tropical channel model ID GENERAL-CIRCULATION MODEL; SEA-SURFACE TEMPERATURES; LARGE-SCALE ORGANIZATION; INTRASEASONAL OSCILLATIONS; PART I; CONVECTIVE PARAMETERIZATION; CLIMATE MODEL; SIMULATION; VARIABILITY; PACIFIC AB Tropical channel models, defined as models that are global in the zonal direction but bounded in the meridional direction, are particularly useful for simulating the Madden-Julian oscillation (MJO) and understanding its physical and dynamical basis. Influences from the extra-tropics through the lateral boundaries have been found to be essential to the reproduction of the initiation of certain MJO events. This led to a hypothesis that multi-year simulations using a tropical channel model would reproduce reasonable MJO statistics under the influence of prescribed lateral boundary conditions derived from global reanalyses. Interestingly, the MJO statistics in such a multi-year simulation by a high-resolution tropical channel model are not better than those from global climate models. The error in the atmospheric mean state is found to be a possible reason for the poor MJO statistics in the simulation. Nevertheless, even with a large error in the mean state, the multi-year simulation captures two MJO events previously found to be initiated by exiratropical influences. However, the model does not reproduce a third event, whose initiation is not directly influenced by the extratropics. This implies that in the absence of dynamical interactions between the MJO and the lateral boundary conditions, the error in the mean state could be sufficient to prevent the MJO initiation. To explore this third MJO event further, a series of sensitiviiy tests are conducted. These tests show that the simulation of this event is neither critically influenced by the cumulus parameterization employed, nor the initial conditions when the model is integrated 2 weeks prior to the MJO initiation. The model captures this event when the MJO signal is already present in the initial conditions. The use of high-resolution sea surface temperature does not improve the simulation of the third MJO event. A higher-resolution nested domain covering the Indo-Pacific warm pool region and including a cloud-system resolving domain over the Indonesian Maritime Continent has little effect on the WO initiation over the Indian Ocean. In <2 weeks the error in the simulation is comparable to the climate error. The role of the simulated MJO on the mean state is also explored. Implications and limitations of these results are discussed. C1 [Ray, Pallav; Zhang, Chidong] Univ Miami, RSMAS MPO, Miami, FL 33149 USA. [Moncrieff, Mitchell W.; Dudhia, Jim; Caron, Julie M.; Bruyere, Cindy] Natl Ctr Atmospher Res, Boulder, CO 80301 USA. [Leung, L. Ruby] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Ray, P (reprint author), Univ Miami, RSMAS MPO, 4600 Rickenbacker Causeway, Miami, FL 33149 USA. EM pray@rsmas.miami.edu RI Dudhia, Jimy/B-1287-2008; OI Dudhia, Jimy/0000-0002-2394-6232; Ray, Pallav/0000-0001-8924-1852 FU National Science Foundation [ATM9912297, ATM0739402]; NCAR FX Acknowledgment is made to the National Center for Atmospheric Research (NCAR), which is sponsored by the National Science Foundation, for making the model output available for this research. Computational resources provided by the NCAR are also appreciated. We thank Bill Kuo, Sherrie Fredrick, and other team members of the NRCM group. P.R. acknowledges the graduate student fellowship offered by the NCAR's ASP program. The NCEP-NCAR reanalysis data were taken from NOAA/CDC. The NCEP 'FNL' data were taken from NCAR's mass storage. This study was partially supported by NSF grants ATM9912297 and ATM0739402. NR 63 TC 20 Z9 21 U1 0 U2 13 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0930-7575 J9 CLIM DYNAM JI Clim. Dyn. PD JAN PY 2011 VL 36 IS 1-2 BP 161 EP 184 DI 10.1007/s00382-010-0859-2 PG 24 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 710DY UT WOS:000286492300010 ER PT J AU Seth, A Rauscher, SA Rojas, M Giannini, A Camargo, SJ AF Seth, Anji Rauscher, Sara A. Rojas, Maisa Giannini, Alessandra Camargo, Suzana J. TI Enhanced spring convective barrier for monsoons in a warmer world? SO CLIMATIC CHANGE LA English DT Letter ID ASIAN SUMMER MONSOON; TROPICAL TROPOSPHERIC TEMPERATURE; SOIL-MOISTURE; CLIMATE; ENSO; PRECIPITATION; PROJECTIONS; ATMOSPHERE; TRANSITION; RESPONSES AB Twenty-first century climate model projections show an amplification of the annual cycle in tropical precipitation with increased strength in both wet and dry seasons, but uncertainty is large and few studies have examined transition seasons. Here we analyze coupled climate model projections of global land monsoons and show a redistribution of precipitation from spring to summer in northern (North America, West Africa and Southeast Asia) and southern (South America, Southern Africa) regions. The annual cycle changes are global in scale. Two mechanisms, remote (based on tropospheric stability) and local (based on low level and surface moisture), are evaluated through the annual cycle. Increases in tropospheric stability persist from winter into spring and are reinforced by a reduction in surface moisture conditions, suggesting that in spring both remote and local mechanisms act to inhibit convection. This enhanced spring convective barrier leads to reduced early season rainfall; however, once sufficient increases in moisture (by transport) are achieved, decreases in tropospheric stability result in increased precipitation during the late rainy season. Further examination of this mechanism is needed in observations and models, as the projected changes would have substantial implications for agriculture, water management, and disaster preparedness. C1 [Seth, Anji] Univ Connecticut, Storrs, CT 06269 USA. [Rauscher, Sara A.] Los Alamos Natl Lab, Los Alamos, NM USA. [Rojas, Maisa] Univ Chile, Santiago, Chile. [Giannini, Alessandra] Int Res Inst Climate & Soc, Palisades, NY USA. [Camargo, Suzana J.] Lamont Doherty Earth Observ, Palisades, NY USA. RP Seth, A (reprint author), Univ Connecticut, Storrs, CT 06269 USA. EM anji.seth@uconn.edu RI Camargo, Suzana/C-6106-2009; Rojas, Maisa/A-7229-2013; Giannini, Alessandra/H-4403-2013; Giannini, Alessandra/F-7163-2016 OI Camargo, Suzana/0000-0002-0802-5160; Giannini, Alessandra/0000-0001-5425-4995 NR 37 TC 41 Z9 42 U1 2 U2 17 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 J9 CLIMATIC CHANGE JI Clim. Change PD JAN PY 2011 VL 104 IS 2 BP 403 EP 414 DI 10.1007/s10584-010-9973-8 PG 12 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 705GM UT WOS:000286116900013 ER PT J AU Lucas, PM Morgan, OW Gibbons, TF Guerrero, AC Maupin, GM Butler, JL Canas, LC Fonseca, VP Olsen, SJ MacIntosh, VH AF Lucas, Pauline M. Morgan, Oliver W. Gibbons, Thomas F. Guerrero, Alicia C. Maupin, Genny M. Butler, Jenny L. Canas, Linda C. Fonseca, Vincent P. Olsen, Sonja J. MacIntosh, Victor H. TI Diagnosis of 2009 Pandemic Influenza A (pH1N1) and Seasonal Influenza Using Rapid Influenza Antigen Tests, San Antonio, Texas, April-June 2009 SO CLINICAL INFECTIOUS DISEASES LA English DT Article ID UNITED-STATES; H1N1 VIRUS; B VIRUSES; SURVEILLANCE; SENSITIVITY; CULTURE AB Clinicians frequently use influenza rapid antigen tests for diagnostic testing. We tested nasal wash samples from 1 April to 7 June 2009 from 1538 patients using the QuickVue Influenza A+B (Quidel) rapid influenza antigen test and compared the results with real-time reverse transcription polymerase chain reaction (rRT-PCR) assay (gold standard). The prevalence of 2009 pandemic influenza A (pH1N1) was 1.98%, seasonal influenza type A .87%, and seasonal influenza type B 2.07%. The sensitivity and specificity of the rapid test for pH1N1 was 20% (95% CI, 8-39) and 99% (95% CI, 98-99), for seasonal influenza type A 15% (95% CI, 2-45) and 99% (95% CI, 98-99), and for influenza type B was 31% (95% CI, 9-61) and 99% (95% CI, 98-99.7). Rapid influenza antigen tests were of limited use at a time when the prevalence of pH1N1 and seasonal influenza in the United States was low. Clinicians should instead rely on clinical impression and laboratory diagnosis by rRT-PCR. C1 [MacIntosh, Victor H.] USAF, Sch Aerosp Med, Epidemiol Consult Serv, Dept Def Global Lab Based Influenza Surveillance, Brooks City Base, TX 78235 USA. [Morgan, Oliver W.; Olsen, Sonja J.] Ctr Dis Control & Prevent, Div Preparedness & Emerging Infect, Atlanta, GA USA. [Fonseca, Vincent P.] Texas Dept State Hlth Serv, Austin, TX USA. [Guerrero, Alicia C.; Butler, Jenny L.] Conceptual Mind Works, San Antonio, TX USA. [Maupin, Genny M.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. RP MacIntosh, VH (reprint author), USAF, Sch Aerosp Med, Epidemiol Consult Serv, Dept Def Global Lab Based Influenza Surveillance, 2513 Kennedy Cir,Bldg 180, Brooks City Base, TX 78235 USA. EM omorgan@cdc.gov; victor.macintosh@us.af.mil FU Unites States Air Force School of Aerospace Medicine; Global Emerging Infections Surveillance and Response System; Armed Forces Health Surveillance Center; Centers for Disease Control and Prevention FX Unites States Air Force School of Aerospace Medicine; Global Emerging Infections Surveillance and Response System; Armed Forces Health Surveillance Center.; Published as part of a supplement entitled "The 2009 H1N1 Influenza Pandemic: Field and Epidemiologic Investigations," sponsored by the Centers for Disease Control and Prevention. NR 27 TC 19 Z9 19 U1 0 U2 2 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 1058-4838 J9 CLIN INFECT DIS JI Clin. Infect. Dis. PD JAN 1 PY 2011 VL 52 SU 1 BP S116 EP S122 DI 10.1093/cid/ciq027 PG 7 WC Immunology; Infectious Diseases; Microbiology SC Immunology; Infectious Diseases; Microbiology GA 706JK UT WOS:000286214500017 PM 21342882 ER PT J AU Sfiligoi, I Wurthwein, F Dost, JM MacNeill, I Holzman, B Mhashilkar, P AF Sfiligoi, Igor Wuerthwein, Frank Dost, Jeffrey Michael MacNeill, Ian Holzman, Burt Mhashilkar, Parag BE Villari, M Krol, D Lee, YW Zimmermann, W TI Reducing the Human Cost of Grid Computing With glideinWMS SO CLOUD COMPUTING 2011: THE SECOND INTERNATIONAL CONFERENCE ON CLOUD COMPUTING, GRIDS, AND VIRTUALIZATION LA English DT Proceedings Paper CT 2nd International Conference on Cloud Computing, GRIDs, and Virtualization (CLOUD COMPUTING) CY SEP 25-30, 2011 CL Rome, ITALY DE Grid; glideinWMS; human cost AB The switch from dedicated, tightly controlled compute clusters to a widely distributed, shared Grid infrastructure has introduced significant operational overheads. If not properly managed, this human cost could grow to a point where it would undermine the benefits of increased resource availability of Grid computing. The glideinWMS system addresses the human cost problem by drastically reducing the number of people directly exposed to the Grid infrastructure. This paper provides an analysis of what steps have been taken to reduce the human cost problem, alongside the experience of glideinWMS use within the Open Science Grid. C1 [Sfiligoi, Igor; Wuerthwein, Frank; Dost, Jeffrey Michael; MacNeill, Ian] Univ Calif San Diego, La Jolla, CA 92093 USA. [Holzman, Burt; Mhashilkar, Parag] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Sfiligoi, I (reprint author), Univ Calif San Diego, La Jolla, CA 92093 USA. EM isfiligoi@ucsd.edu; fkw@ucsd.edu; jdost@ucsd.edu; imacneill@ucsd.edu; burt@fnal.gov; parag@fnal.gov FU US Department of Energy [DE-FC02-06ER41436, 647F290]; US National Science Foundation [PHY-0612805, OCI-0943725] FX This work is partially sponsored by the US Department of Energy under Grant No. DE-FC02-06ER41436 subcontract No. 647F290 (OSG), and the US National Science Foundation under Grants No. PHY-0612805 (CMS Maintenance & Operations), and OCI-0943725 (STCI). NR 7 TC 2 Z9 2 U1 0 U2 0 PU IARIA XPS PRESS PI WILMINGTON PA PO BOX 7827, WILMINGTON, DE 19803 USA BN 978-1-61208-153-3 PY 2011 BP 217 EP 221 PG 5 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA BG9YW UT WOS:000394231500033 ER PT B AU Kim, AG AF Kim, Ann G. BE Stracher, GB Prakash, A Sokol, EV TI Coal Formation and the Origin of Coal Fires SO COAL AND PEAT FIRES: A GLOBAL PERSPECTIVE, VOL 1: COAL - GEOLOGY AND COMBUSTION LA English DT Article; Book Chapter ID JHARIA COALFIELD; THERMAL HISTORY; SEAM FIRES; METAMORPHISM; DEFORMATION; REFLECTANCE; ANTHRACITE; MECHANISMS; MATURATION; CHINA C1 US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Kim, AG (reprint author), US DOE, Natl Energy Technol Lab, 626 Cochrans Mill Rd,POB 10940, Pittsburgh, PA 15236 USA. NR 108 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-093163-0; 978-0-444-52858-2 PY 2011 BP 1 EP 28 DI 10.1016/B978-0-444-52858-2.00001-3 PG 28 WC Environmental Sciences; Geology; Mining & Mineral Processing SC Environmental Sciences & Ecology; Geology; Mining & Mineral Processing GA BGD14 UT WOS:000322370900002 ER PT J AU Stracher, GB Taylor, TP AF Stracher, Glenn B. Taylor, Tammy P. BE Stracher, GB Prakash, A Sokol, EV TI The Effects of Global Coal Fires SO COAL AND PEAT FIRES: A GLOBAL PERSPECTIVE, VOL 1: COAL - GEOLOGY AND COMBUSTION LA English DT Article; Book Chapter ID JHARIA COALFIELD; MINING AREA; MINE FIRES; TM DATA; INDIA; TEMPERATURE; SURFACE; CHINA C1 [Stracher, Glenn B.] Univ Syst Georgia, East Georgia Coll, Div Sci & Math, Swainsboro, GA 30401 USA. [Taylor, Tammy P.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Stracher, GB (reprint author), Univ Syst Georgia, East Georgia Coll, Div Sci & Math, Swainsboro, GA 30401 USA. NR 74 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-093163-0 PY 2011 BP 101 EP 114 DI 10.1016/B978-0-444-52858-2.00006-2 PG 14 WC Environmental Sciences; Geology; Mining & Mineral Processing SC Environmental Sciences & Ecology; Geology; Mining & Mineral Processing GA BGD14 UT WOS:000322370900007 ER PT J AU Kim, AG AF Kim, Ann G. BE Stracher, GB Prakash, A Sokol, EV TI United States Bureau of Mines-Study and Control of Fires in Abandoned Mines and Waste Banks SO COAL AND PEAT FIRES: A GLOBAL PERSPECTIVE, VOL 1: COAL - GEOLOGY AND COMBUSTION LA English DT Article; Book Chapter C1 US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Kim, AG (reprint author), US DOE, Natl Energy Technol Lab, 626 Cochrans Mill Rd,POB 10940, Pittsburgh, PA 15236 USA. NR 56 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-093163-0 PY 2011 BP 267 EP 305 DI 10.1016/B978-0-444-52858-2.00016-5 PG 39 WC Environmental Sciences; Geology; Mining & Mineral Processing SC Environmental Sciences & Ecology; Geology; Mining & Mineral Processing GA BGD14 UT WOS:000322370900017 ER PT J AU Goldsborough, SS Johnson, MV Zhu, GS Aggarwal, SK AF Goldsborough, S. S. Johnson, M. V. Zhu, G. S. Aggarwal, S. K. TI Gas-phase saturation and evaporative cooling effects during wet compression of a fuel aerosol under RCM conditions SO COMBUSTION AND FLAME LA English DT Article DE Wet compression; Droplet evaporation; Aerosol RCM; Transient model ID OF-THE-ART; DROPLET EVAPORATION; ACCOMMODATION COEFFICIENT; THERMAL CONDUCTIVITY; BACKGROUND GAS; STATE; MIXTURES; HYDROCARBONS; COMBUSTION; SIMULATION AB Wet compression of a fuel aerosol has been proposed as a means of creating gas-phase mixtures of involatile diesel-representative fuels and oxidizer + diluent gases for rapid compression machine (RCM) experiments. The use of high concentration aerosols (e.g., similar to 0.1 mL(fuel)/L(gas), similar to 1 x 10(9) droplets/L(gas) for stoichiometric fuel loading at ambient conditions) can result in droplet-droplet interactions which lead to significant gas-phase fuel saturation and evaporative cooling during the volumetric compression process. In addition, localized stratification (i.e., on the droplet scale) of the fuel vapor and of temperature can lead to non-homogeneous reaction and heat release processes - features which could prevent adequate segregation of the underlying chemical kinetic rates from rates of physical transport. These characteristics are dependent on many factors including physical parameters such as overall fuel loading and initial droplet size relative to the compression rate, as well as fuel and diluent properties such as the boiling curve, vaporization enthalpy, heat capacity, and mass and thermal diffusivities. This study investigates the physical issues, especially fuel saturation and evaporative cooling effects, using a spherically-symmetric, single-droplet wet compression model. n-Dodecane is used as the fuel with the gas containing 21% O(2) and 79% N(2). An overall compression time and compression ratio of 15.3 ms and 13.4 are used, respectively. It is found that smaller droplets (d(o) similar to 2-3 mu m) are more affected by 'far-field' saturation and cooling effects, while larger droplets (d(o) similar to 14 mu m) result in greater localized stratification of the gas-phase due to the larger diffusion distances for heat and mass transport. Vaporization of larger droplets is more affected by the volumetric compression process since evaporation requires more time to be completed even at the same overall fuel loading. All of the cases explored here yield greater compositional stratification than thermal stratification due to the high Lewis numbers of the fuel-air mixtures (Le(g) similar to 3.8). (C) 2010 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Goldsborough, S. S.] Marquette Univ, Dept Mech Engn, Milwaukee, WI 53201 USA. [Johnson, M. V.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Zhu, G. S.] DTNA Detroit Diesel Corp, HDEP Performance & Emiss, Detroit, MI 48239 USA. [Aggarwal, S. K.] Univ Illinois, Dept Mech & Ind Engn, Engn Res Facil 1030, Chicago, IL 60607 USA. RP Goldsborough, SS (reprint author), Marquette Univ, Dept Mech Engn, POB 1881, Milwaukee, WI 53201 USA. EM scott.goldsborough@mu.edu FU NSF [CBET-0521602] FX Professor Rolf Reitz at the University of Wisconsin Engine Research Center is thanked for his assistance in locating a copy of the original source code for the transient droplet evaporation model. Funding for this work has been provided in part through NSF CBET-0521602. The simulations were conducted using the Cluster Computing Center at Marquette University. NR 49 TC 6 Z9 6 U1 3 U2 12 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD JAN PY 2011 VL 158 IS 1 BP 57 EP 68 DI 10.1016/j.combustflame.2010.07.018 PG 12 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 687BI UT WOS:000284748400006 ER PT J AU Cervantes, OG Kuntz, JD Gash, AE Munir, ZA AF Cervantes, Octavio G. Kuntz, Joshua D. Gash, Alexander E. Munir, Zuhair A. TI Activation energy of tantalum-tungsten oxide thermite reactions SO COMBUSTION AND FLAME LA English DT Article DE Activation energy; Kissinger isoconversion; Thermite; Sol-gel; High-pressure spark plasma sintering ID SELF-PROPAGATING COMBUSTION; HEATING RATE; WAVE SPEEDS; NANOCOMPOSITES; CONSOLIDATION; COMPOSITES; TRIOXIDE; ALUMINUM; KINETICS AB The activation energy of a sol-gel (SG) derived tantalum-tungsten oxide thermite composite was determined using the Kissinger isoconversion method. The SG derived powder was consolidated using the high-pressure spark plasma sintering (HPSPS) technique at 300 and 400 degrees C. The ignition temperatures were investigated under high heating rates (500-2000 degrees C min(-1)). Such heating rates were required in order to ignite the thermite composite. Samples consolidated at 300 degrees C exhibit an abrupt change in temperature response prior to the main ignition temperature. This change in temperature response is attributed to the crystallization of the amorphous WO(3) in the SG derived Ta-WO(3) thermite composite and not to a pre-ignition reaction between the constituents. Ignition temperatures for the Ta-WO(3) thermite ranged from approximately 465 to 670 degrees C. The activation energies of the SG derived Ta-WO(3) thermite composite consolidated at 300 and 400 degrees C were determined to be 38 +/- 2 kJ mol(-1) and 57 +/- 2 kJ mol(-1), respectively. (C) 2010 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Cervantes, Octavio G.; Kuntz, Joshua D.; Gash, Alexander E.; Munir, Zuhair A.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Cervantes, Octavio G.; Munir, Zuhair A.] Univ Calif Davis, Davis, CA 95616 USA. RP Cervantes, OG (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, 7000 East Ave, Livermore, CA 94550 USA. EM cervantes11@llnl.gov FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; DoD/DOE FX This work performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The authors are grateful to the Joint DoD/DOE Munitions Technology Development Program for funding this project. Special thanks to graduate student Steven Dean and Professor Michelle Pantoya at Texas Tech University for their assistance and collaboration on the laser ignition experiments. LLNL-JRNL-425030. NR 30 TC 13 Z9 14 U1 2 U2 20 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD JAN PY 2011 VL 158 IS 1 BP 117 EP 122 DI 10.1016/j.combustflame.2010.07.023 PG 6 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 687BI UT WOS:000284748400011 ER PT J AU McCorquodale, P Colella, P AF McCorquodale, Peter Colella, Phillip TI A HIGH-ORDER FINITE-VOLUME METHOD FOR CONSERVATION LAWS ON LOCALLY REFINED GRIDS SO COMMUNICATIONS IN APPLIED MATHEMATICS AND COMPUTATIONAL SCIENCE LA English DT Article DE high-order methods; finite-volume methods; adaptive mesh refinement; hyperbolic partial differential equations ID EQUATIONS; PPM AB We present a fourth-order accurate finite-volume method for solving time-dependent hyperbolic systems of conservation laws on Cartesian grids with multiple levels of refinement. The underlying method is a generalization of that developed by Colella, Dorr, Hittinger and Martin (2009) to nonlinear systems, and is based on using fourth-order accurate quadratures for computing fluxes on faces, combined with fourth-order accurate Runge-Kutta discretization in time. To interpolate boundary conditions at refinement boundaries, we interpolate in time in a manner consistent with the individual stages of the Runge-Kutta method, and interpolate in space by solving a least-squares problem over a neighborhood of each target cell for the coefficients of a cubic polynomial. The method also uses a variation on the extremum-preserving limiter of Colella and Sekora (2008), as well as slope flattening and a fourth-order accurate artificial viscosity for strong shocks. We show that the resulting method is fourth-order accurate for smooth solutions, and is robust in the presence of complex combinations of shocks and smooth flows. C1 [McCorquodale, Peter; Colella, Phillip] Univ Calif Berkeley, Lawrence Berkeley Lab, Appl Numer Algorithms Grp, Berkeley, CA 94720 USA. RP McCorquodale, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Appl Numer Algorithms Grp, 1 Cyclotron Rd,MS 50A-1148, Berkeley, CA 94720 USA. EM PWMcCorquodale@lbl.gov; PColella@lbl.gov FU Office of Science, Office of Advanced Scientific Computing Research, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Science, Office of Advanced Scientific Computing Research, of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. NR 15 TC 41 Z9 41 U1 2 U2 10 PU MATHEMATICAL SCIENCE PUBL PI BERKELEY PA UNIV CALIFORNIA, DEPT MATHEMATICS, BERKELEY, CA 94720-3840 USA SN 1559-3940 J9 COMM APP MATH COM SC JI Commun. Appl. Math. Comput. Sci. PY 2011 VL 6 IS 1 BP 1 EP 25 DI 10.2140/camcos.2011.6.1 PG 25 WC Mathematics, Applied; Physics, Mathematical SC Mathematics; Physics GA 836DQ UT WOS:000296089800001 ER PT S AU Sills, RB Thouless, MD AF Sills, R. B. Thouless, M. D. BE Faester, S Juul Jensen, D Ralph, B Sorensen, BF TI FRACTURE LENGTH SCALES IN DELAMINATION OF COMPOSITE MATERIALS SO COMPOSITE MATERIALS FOR STRUCTURAL PERFORMANCE: TOWARDS HIGHER LIMITS SE Riso International Symposium on Material Science LA English DT Proceedings Paper CT 32nd Riso International Symposium on Materials Science CY SEP 05-09, 2011 CL Roskilde, DENMARK SP Mat Res Div, Riso Natl Lab Sustainable Energy, Tech Univ Denmark, Danish Ctr Composite Structures & Mat Wind Turbines, Civilingenior Frederik Leth Christiansens Almennyttige Fond, Fabrikant Mads Clausens Fond, Knud Hojgaards Fond, Kraks Fond, Otto Monsteds Fond, Oticon Fonden ID POLYMER-MATRIX COMPOSITE; BRIDGING LAWS; MODEL AB Cohesive zone models of fracture have seen great success in modeling delamination and debonding of composite materials (Aymerich, Dore, and Priolo 2009; Li, Thouless, Waas, Schroeder, and Zavattieri 2005b; Yang and Cox 2005). By embedding cohesive zone elements along potential crack planes, arbitrary delamination configurations can be represented without the need for an a priori knowledge of crack locations or pre-existing cracks. The stress displacement behavior of elements in cohesive zone modeling is governed by cohesive or traction-separation laws, which dictate the tractions across the interface as a function of the crack plane separations. For mixed-mode problems, orthogonal sets of cohesive laws can define these relationships for each mode. In fibrous composites, various toughening mechanisms such as matrix cracking and fiber bridging operate at different strengths and length scales forming a complicated amalgamation of processes that are difficult to model directly. With cohesive zone modeling, these processes can be accounted for in the cohesive law via the fracture length scale. Many authors have pointed out that the shape of the traction-separation law and its associated fracture length scales is dictated by the cohesive mechanisms at work (Davila, Rose, and Camanho 2009; Li, Thouless, Waas, Schroeder, and Zavattieri 2005a; Yang and Cox 2005) but a general framework for understanding how the evolution of these mechanisms with loading manifest themselves within the cohesive zone structure has not been presented. In this work, such a framework will be developed by defining an average fracture length scale that is a property of the load state along the crack plane. With this new length scale, the effects of cohesive law shape can be understood allowing a direct connection between law shape and physical process. C1 [Sills, R. B.] Sandia Natl Labs, Gas Transfer Syst, Livermore, CA 94550 USA. [Thouless, M. D.] Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA. [Thouless, M. D.] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. RP Sills, RB (reprint author), Sandia Natl Labs, Gas Transfer Syst, Livermore, CA 94550 USA. NR 17 TC 0 Z9 0 U1 0 U2 0 PU RISO NATL LABORATORY PI ROSKILDE PA POSTBOX 49, DK-4000 ROSKILDE, DENMARK SN 0907-0079 BN 978-87-550-3925-4 J9 RISO MAT SCI PY 2011 BP 457 EP 464 PG 8 WC Materials Science, Characterization & Testing; Materials Science, Composites SC Materials Science GA BE3NN UT WOS:000371003500042 ER PT J AU Le Gros, MA Knoechel, CG Uchida, M Parkinson, DY McDermott, G Larabell, CA AF Le Gros, M. A. Knoechel, C. G. Uchida, M. Parkinson, D. Y. McDermott, G. Larabell, C. A. BE Egelman, EH TI Visualizing Sub-cellular Organization Using Soft X-ray Tomography SO COMPREHENSIVE BIOPHYSICS, VOL 2: BIOPHYSICAL TECHNIQUES FOR CHARACTERIZATION OF CELLS LA English DT Article; Book Chapter ID BIOLOGICAL SPECIMENS; ELECTRON-MICROSCOPY; 3-DIMENSIONAL RECONSTRUCTION; COMPUTED-TOMOGRAPHY; PHASE-CONTRAST; RESOLUTION; CELLS; PROJECTIONS; RADIATION; ALIGNMENT C1 [Le Gros, M. A.; Knoechel, C. G.; Uchida, M.; Parkinson, D. Y.; McDermott, G.; Larabell, C. A.] Natl Ctr Xray Tomog, Berkeley, CA USA. [Le Gros, M. A.; Larabell, C. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Knoechel, C. G.; Uchida, M.; Parkinson, D. Y.; McDermott, G.; Larabell, C. A.] Univ Calif San Francisco, San Francisco, CA 94143 USA. RP Le Gros, MA (reprint author), Natl Ctr Xray Tomog, Berkeley, CA USA. NR 56 TC 1 Z9 1 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-095718-0 PY 2011 BP 90 EP 110 DI 10.1016/B978-0-12-374920-8.00212-5 PG 21 WC Biophysics; Cell Biology; Microscopy SC Biophysics; Cell Biology; Microscopy GA BA2RP UT WOS:000333839300006 ER PT J AU Dyer, RB Vu, DM AF Dyer, R. B. Vu, D. M. BE Egelman, EH TI Fast Events in Protein Folding SO COMPREHENSIVE BIOPHYSICS, VOL 3: THE FOLDING OF PROTEINS AND NUCLEIC ACIDS LA English DT Article; Book Chapter ID MOLECULAR-DYNAMICS SIMULATIONS; 3-HELIX BUNDLE PROTEIN; INDUCED PH-JUMP; B-DOMAIN; SECONDARY STRUCTURE; TEMPERATURE-JUMP; KINETICS; MECHANISMS; MODEL; STATE C1 [Dyer, R. B.] Emory Univ, Atlanta, GA 30322 USA. [Vu, D. M.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Dyer, RB (reprint author), Emory Univ, Atlanta, GA 30322 USA. NR 48 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-095718-0 PY 2011 BP 34 EP 42 DI 10.1016/B978-0-12-374920-8.00303-9 PG 9 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA BA2UL UT WOS:000333921800003 ER PT J AU Hetherington, CL Moffitt, JR Jardine, PJ Bustamante, C AF Hetherington, C. L. Moffitt, J. R. Jardine, P. J. Bustamante, C. BE Egelman, EH TI Viral DNA Packaging Motors SO COMPREHENSIVE BIOPHYSICS, VOL 4: MOLECULAR MOTORS AND MOTILITY LA English DT Article; Book Chapter ID DOUBLE-STRANDED DNA; BACTERIOPHAGE-LAMBDA TERMINASE; HEAD-TAIL CONNECTOR; PORTAL PROTEIN; BACILLUS-SUBTILIS; SINGLE-MOLECULE; PHAGE-LAMBDA; LARGE SUBUNIT; PROHEAD RNA; FUNCTIONAL DOMAINS C1 [Hetherington, C. L.; Moffitt, J. R.; Bustamante, C.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Moffitt, J. R.] Harvard Univ, Cambridge, MA 02138 USA. [Jardine, P. J.] Univ Minnesota, Minneapolis, MN USA. [Bustamante, C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bustamante, C.] Howard Hughes Med Inst, Chevy Chase, MD USA. RP Hetherington, CL (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA. OI Jardine, Paul/0000-0002-1090-0550 NR 183 TC 1 Z9 1 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-095718-0 PY 2011 BP 420 EP 446 DI 10.1016/B978-0-12-374920-8.00431-8 PG 27 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA BA2VE UT WOS:000333926700022 ER PT J AU Sanbonmatsu, KY Blanchard, SC Whitford, PC AF Sanbonmatsu, K. Y. Blanchard, S. C. Whitford, P. C. BE Egelman, EH TI Dynamics of Very Large Systems: The Ribosome SO COMPREHENSIVE BIOPHYSICS, VOL 9: SIMULATION AND MODELLING LA English DT Article; Book Chapter ID AMINOACYL-TRANSFER-RNA; EUKARYOTIC TRANSLATION INITIATION; ELONGATION-FACTOR-G; PEPTIDYL TRANSFERASE CENTER; MOLECULAR-DYNAMICS; MESSENGER-RNA; STRUCTURAL BASIS; 70S RIBOSOME; ANGSTROM RESOLUTION; BACTERIAL RIBOSOME C1 [Sanbonmatsu, K. Y.; Whitford, P. C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Blanchard, S. C.] Cornell Univ Med Coll, New York, NY USA. RP Sanbonmatsu, KY (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RI Blanchard, Scott/A-5804-2009 NR 105 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-095718-0 PY 2011 BP 76 EP 85 DI 10.1016/B978-0-12-374920-8.00907-3 PG 10 WC Biophysics; Mathematical & Computational Biology SC Biophysics; Mathematical & Computational Biology GA BA2QL UT WOS:000333766900005 ER PT B AU Chhabra, SR Keasling, JD AF Chhabra, S. R. Keasling, J. D. BE MooYoung, M TI Metabolic Design and Control for Production in Prokaryotes SO COMPREHENSIVE BIOTECHNOLOGY, VOL 1: SCIENTIFIC FUNDAMENTALS OF BIOTECHNOLOGY, 2ND EDITION LA English DT Article; Book Chapter ID INVERSION RECOMBINATION SWITCH; GENE KNOCKOUT SIMULATION; L-TYROSINE PRODUCTION; ESCHERICHIA-COLI; CORYNEBACTERIUM-GLUTAMICUM; INDUSTRIAL STRAINS; SUCCINIC ACID; FLUX ANALYSIS; BIOSYNTHESIS; PATHWAY C1 [Chhabra, S. R.; Keasling, J. D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Chhabra, S. R.] Joint BioEnergy Inst, Emeryville, CA USA. RP Chhabra, SR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RI Keasling, Jay/J-9162-2012 OI Keasling, Jay/0000-0003-4170-6088 NR 44 TC 1 Z9 1 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-088504-9; 978-0-44-453352-4 PY 2011 BP 243 EP 255 PG 13 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA BA3SL UT WOS:000334724000019 ER PT J AU Xu, Q Luo, Y Ding, SY Himmel, ME Bu, L Lamed, R Bayer, EA AF Xu, Q. Luo, Y. Ding, S-Y Himmel, M. E. Bu, L. Lamed, R. Bayer, E. A. BE MooYoung, M TI Multifunctional Enzyme Systems for Plant Cell Wall Degradation SO COMPREHENSIVE BIOTECHNOLOGY, VOL 3: INDUSTRIAL BIOTECHNOLOGY AND COMMODITY PRODUCTS, 2ND EDITION LA English DT Article; Book Chapter ID CRYSTALLINE CELLULOSE; XYLANASE; DOMAINS; ENDOGLUCANASE; CONSTRUCTION; FUSION; GENE C1 [Xu, Q.; Luo, Y.; Ding, S-Y; Himmel, M. E.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. [Bu, L.] Natl Renewable Energy Lab, Golden, CO USA. [Lamed, R.] Tel Aviv Univ, IL-69978 Tel Aviv, Israel. [Bayer, E. A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel. RP Xu, Q (reprint author), Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. NR 17 TC 2 Z9 2 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-088504-9 PY 2011 BP 15 EP 25 PG 11 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA BA3VS UT WOS:000334940100003 ER PT B AU Shinar, J Shinar, R AF Shinar, J. Shinar, R. BE Andrews, DL Scholes, GD Wiederrecht, GP TI An Overview of Organic Light-Emitting Diodes and their Applications SO COMPREHENSIVE NANOSCIENCE AND TECHNOLOGY, VOL 1: NANOMATERIALS LA English DT Article; Book Chapter ID DETECTED MAGNETIC-RESONANCE; INDIUM-TIN-OXIDE; POLY(PARA-PHENYLENE)-TYPE LADDER-POLYMERS; PHENYLENE VINYLENE OLIGOMER; PI-CONJUGATED POLYMERS; ENHANCED ELECTRON INJECTION; FIELD-INDUCED DISSOCIATION; CHARGE-LIMITED CONDUCTION; OXYGEN SENSING MATERIAL; OPTICAL SENSOR ARRAYS C1 [Shinar, J.] US DOE, Ames Lab, Ames, IA 50011 USA. [Shinar, J.; Shinar, R.] Iowa State Univ, Ames, IA USA. RP Shinar, J (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. NR 331 TC 5 Z9 5 U1 1 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-12-374396-1; 978-0-12-374390-9 PY 2011 BP 73 EP 107 PG 35 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA BA2VR UT WOS:000333932300004 ER PT B AU Vukmirovic, N Wang, LW AF Vukmirovic, N. Wang, L-W BE Andrews, DL Scholes, GD Wiederrecht, GP TI Quantum Dots: Theory SO COMPREHENSIVE NANOSCIENCE AND TECHNOLOGY, VOL 1: NANOMATERIALS LA English DT Article; Book Chapter ID ELECTRONIC-STRUCTURE CALCULATIONS; SMALL SEMICONDUCTOR CRYSTALLITES; LOCAL-DENSITY-APPROXIMATION; HYDROGENATED SI-CLUSTERS; MONTE-CARLO CALCULATIONS; INFRARED PHOTODETECTORS; EFFECTIVE-MASS; SELF-ENERGY; PSEUDOPOTENTIAL CALCULATIONS; INTRABAND ABSORPTION C1 [Vukmirovic, N.; Wang, L-W] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Vukmirovic, N (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 155 TC 3 Z9 3 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-12-374396-1; 978-0-12-374390-9 PY 2011 BP 189 EP 217 PG 29 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA BA2VR UT WOS:000333932300007 ER PT J AU McMahon, JM Gray, SK Schatz, GC AF McMahon, J. M. Gray, S. K. Schatz, G. C. BE Andrews, DL Scholes, GD Wiederrecht, GP TI Surface Nanophotonics Theory SO COMPREHENSIVE NANOSCIENCE AND TECHNOLOGY, VOL 3: NANOSTRUCTURED SURFACES LA English DT Article; Book Chapter ID EXTRAORDINARY OPTICAL-TRANSMISSION; THIN GOLD-FILMS; ENHANCED RAMAN-SCATTERING; SUBWAVELENGTH HOLE ARRAYS; LIGHT TRANSMISSION; PLASMON RESONANCE; SINGLE NANOHOLES; NANOMETRIC HOLES; METALLIC-FILMS; GRATINGS C1 [McMahon, J. M.; Schatz, G. C.] Northwestern Univ, Evanston, IL 60208 USA. [Gray, S. K.] Argonne Natl Lab, Argonne, IL 60439 USA. RP McMahon, JM (reprint author), Northwestern Univ, Evanston, IL 60208 USA. NR 65 TC 4 Z9 4 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-12-374396-1 PY 2011 BP 187 EP 208 PG 22 WC Nanoscience & Nanotechnology; Physics, Condensed Matter SC Science & Technology - Other Topics; Physics GA BA2UW UT WOS:000333924500006 ER PT J AU Martell, J Elmer, T Gopalsami, N Park, YS AF Martell, John Elmer, Thomas Gopalsami, Nachappa Park, Young Soo TI Visual Measurement of Suture Strain for Robotic Surgery SO COMPUTATIONAL AND MATHEMATICAL METHODS IN MEDICINE LA English DT Article ID FEEDBACK AB Minimally invasive surgical procedures offer advantages of smaller incisions, decreased hospital length of stay, and rapid postoperative recovery to the patient. Surgical robots improve access and visualization intraoperatively and have expanded the indications for minimally invasive procedures. A limitation of the DaVinci surgical robot is a lack of sensory feedback to the operative surgeon. Experienced robotic surgeons use visual interpretation of tissue and suture deformation as a surrogate for tactile feedback. A difficulty encountered during robotic surgery is maintaining adequate suture tension while tying knots or following a running anastomotic suture. Displaying suture strain in real time has potential to decrease the learning curve and improve the performance and safety of robotic surgical procedures. Conventional strain measurement methods involve installation of complex sensors on the robotic instruments. This paper presents a noninvasive video processing-based method to determine strain in surgical sutures. The method accurately calculates strain in suture by processing video from the existing surgical camera, making implementation uncomplicated. The video analysis method was developed and validated using video of suture strain standards on a servohydraulic testing system. The video-based suture strain algorithm is shown capable of measuring suture strains of 0.2% with subpixel resolution and proven reliability under various conditions. C1 [Martell, John] Univ Chicago, Dept Surg, Chicago, IL 60637 USA. [Elmer, Thomas; Gopalsami, Nachappa; Park, Young Soo] Argonne Natl Lab, Argonne, IL 60439 USA. RP Martell, J (reprint author), Univ Chicago, Dept Surg, 5841 S Maryland Ave, Chicago, IL 60637 USA. EM jmartell@surgery.bsd.uchicago.edu OI Elmer, Thomas/0000-0003-0363-5928 FU Department of Energy; University of Chicago FX The research reported in this paper has been supported by the Department of Energy and The University of Chicago. The authors would like to acknowledge their collaboration between Argonne National Laboratory and The University of Chicago Biomedical Institute for Advanced Surgery and Endoscopy (BIASE), for the valuable discussions with respect to this project. NR 14 TC 5 Z9 5 U1 0 U2 0 PU HINDAWI PUBLISHING CORPORATION PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1748-670X J9 COMPUT MATH METHOD M JI Comput. Math. Method Med. PY 2011 AR 879086 DI 10.1155/2011/879086 PG 9 WC Mathematical & Computational Biology SC Mathematical & Computational Biology GA 808YV UT WOS:000294018800001 ER PT B AU Syamlal, M Pannala, S AF Syamlal, Madhava Pannala, Sreekanth BA Pannala, S Syamlal, M OBrien, TJ BF Pannala, S Syamlal, M OBrien, TJ TI Multiphase Continuum Formulation for Gas-Solids Reacting Flows SO COMPUTATIONAL GAS-SOLIDS FLOWS AND REACTING SYSTEMS: THEORY, METHODS AND PRACTICE LA English DT Article; Book Chapter ID CIRCULATING FLUIDIZED-BED; LATTICE-BOLTZMANN SIMULATIONS; PARTICLE-PARTICLE INTERACTION; COAL-GASIFICATION REACTORS; HEAT-TRANSFER COEFFICIENTS; DIMENSIONAL 2-PHASE FLOW; TRAVELING-WAVE SOLUTIONS; IN-CELL MODEL; GRANULAR-MATERIALS; REYNOLDS-NUMBER AB This chapter describes the formulation of multiphase continuum models for gas-solids flows with chemical reactions. A typical formulation of the equations is presented here, following the equations in the open-source software MFIX (http://mfix.netl.doe.gov) so that interested users may look up details of the numerical implementation, study the solutions, or experiment with the numerical implementation of alternative formulations. The authors will first provide a brief overview of the significance of gas-solids reacting flows and the challenges in modeling these systems along with various efforts undertaken by different groups over the last 2-3 decades. They will then summarize the methods used to derive multiphase continuum models and to formulate constitutive equations. They will later provide information on the formulation for mass, momentum, granular energy, energy, and species balance equations for gas and multiple solids phases. They will discuss the constitutive equations required in each of the balance equations; a detailed discussion of certain constitutive equations, such as the gas-solids drag and granular stresses (derived from kinetic theory), will be presented by other authors in later chapters. The authors will point out the differences between different approaches and direct the reader to references that discuss those approaches in detail. They will end the chapter with the example problem of the simulation of a bubbling fluidized bed to illustrate some of the modeling options - physical models, numerical discretization schemes, and grid resolution - that need to be considered to accurately simulate gas-solids systems. C1 [Syamlal, Madhava] Natl Energy Technol Lab, Computat & Basic Sci, Morgantown, WV 26507 USA. [Pannala, Sreekanth] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN USA. RP Syamlal, M (reprint author), Natl Energy Technol Lab, Computat & Basic Sci, Morgantown, WV 26507 USA. NR 214 TC 23 Z9 24 U1 0 U2 1 PU IGI GLOBAL PI HERSEY PA 701 E CHOCOLATE AVE, STE 200, HERSEY, PA 17033-1240 USA BN 978-1-61520-652-0; 978-1-61520-651-3 PY 2011 BP 1 EP 65 DI 10.4018/978-1-61520-651-3.ch001 D2 10.4018/978-1-61520-651-3 PG 65 WC Mathematics, Applied; Mechanics SC Mathematics; Mechanics GA BD7PE UT WOS:000363418500003 ER PT B AU Breault, RW AF Breault, Ronald W. BA Pannala, S Syamlal, M OBrien, TJ BF Pannala, S Syamlal, M OBrien, TJ TI Mass and Heat Transfer Modeling SO COMPUTATIONAL GAS-SOLIDS FLOWS AND REACTING SYSTEMS: THEORY, METHODS AND PRACTICE LA English DT Article; Book Chapter ID CIRCULATING FLUIDIZED-BED; SOLID DISPERSION; GAS; RISER; WALL; PARTICLE; MECHANISM; VELOCITY; LIQUID AB Mass and heat transfer are important to reactor modeling using CFD. Reactants (mass) move within the flow structure in order to react with other species and thereby form the products, both desirable and undesirable. This movement in mass occurs either by diffusion or by turbulent dispersion. In a similar fashion, heat is transferred from one point in the flow structure to another point by convective transfer between the phases and with the translational effect that occurs with the turbulent dispersion of the mass. In addition, heat can be transferred across the system boundary. In all these cases, fundamental mechanistic models are put forward that can be incorporated in the CFD code to calculate these transfer properties based upon the local hydrodynamic conditions. The chapter is organized such that dense phase systems are covered first and then dilute phase systems. Within each of these areas mass transfer is covered first and followed by heat transfer. The topics are covered in the following order: Diffusional mass transfer, Turbulent dispersion, Convective heat transfer between phases and Convective heat transfer at the system boundary. C1 [Breault, Ronald W.] Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Breault, RW (reprint author), Natl Energy Technol Lab, Morgantown, WV 26507 USA. NR 35 TC 2 Z9 2 U1 0 U2 0 PU IGI GLOBAL PI HERSEY PA 701 E CHOCOLATE AVE, STE 200, HERSEY, PA 17033-1240 USA BN 978-1-61520-652-0; 978-1-61520-651-3 PY 2011 BP 178 EP 202 DI 10.4018/978-1-61520-651-3.ch005 D2 10.4018/978-1-61520-651-3 PG 25 WC Mathematics, Applied; Mechanics SC Mathematics; Mechanics GA BD7PE UT WOS:000363418500007 ER PT B AU Garg, R Tenneti, S Yusof, JM Subramaniam, S AF Garg, Rahul Tenneti, Sudheer Yusof, Jamaludin Mohd. Subramaniam, Shankar BA Pannala, S Syamlal, M OBrien, TJ BF Pannala, S Syamlal, M OBrien, TJ TI Direct Numerical Simulation of Gas-Solids Flow Based on the Immersed Boundary Method SO COMPUTATIONAL GAS-SOLIDS FLOWS AND REACTING SYSTEMS: THEORY, METHODS AND PRACTICE LA English DT Article; Book Chapter ID DISCRETIZED BOLTZMANN-EQUATION; PARTICULATE SUSPENSIONS; BIDISPERSE ARRAYS; STOKES EQUATIONS; FLUIDIZED-BED; PACKED-BEDS; CUBIC ARRAY; DRAG FORCE; SPHERES; MONODISPERSE AB In this chapter, the Direct numerical simulation (DNS) of flow past particles is described. DNS is a first-principles approach for modeling interphase momentum transfer in gas-solids flows that does not require any further closure as the flow around the particles is fully resolved. In this chapter, immersed boundary method (IBM) is described where the governing Navier-Stokes equations are modeled with exact boundary conditions imposed at each particle surface using IBM and the resulting three dimensional time-dependent velocity and pressure fields are solved. Since this model has complete description of the gas-solids hydrodynamic behavior, one could extract all the Eulerian and Lagrangian statistics for validation and development of more accurate closures which could be used at coarse-grained simulations described in other chapters. C1 [Garg, Rahul; Tenneti, Sudheer; Subramaniam, Shankar] Iowa State Univ, Ames, IA 50011 USA. [Yusof, Jamaludin Mohd.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Garg, R (reprint author), Iowa State Univ, Ames, IA 50011 USA. NR 42 TC 16 Z9 16 U1 0 U2 0 PU IGI GLOBAL PI HERSEY PA 701 E CHOCOLATE AVE, STE 200, HERSEY, PA 17033-1240 USA BN 978-1-61520-652-0; 978-1-61520-651-3 PY 2011 BP 245 EP 276 DI 10.4018/978-1-61520-651-3.ch008 D2 10.4018/978-1-61520-651-3 PG 32 WC Mathematics, Applied; Mechanics SC Mathematics; Mechanics GA BD7PE UT WOS:000363418500010 ER PT B AU Dartevelle, S AF Dartevelle, Sebastien BA Pannala, S Syamlal, M OBrien, TJ BF Pannala, S Syamlal, M OBrien, TJ TI Validation Approaches to Volcanic Explosive Phenomenology SO COMPUTATIONAL GAS-SOLIDS FLOWS AND REACTING SYSTEMS: THEORY, METHODS AND PRACTICE LA English DT Article; Book Chapter ID FLUIDIZED-BEDS; PYROCLASTIC FLOW; GEOTHERMAL BOREHOLE; NUMERICAL-MODELS; ERUPTION; SIMULATION; DYNAMICS; COLUMNS; BUBBLES; JETS AB Large-scale volcanic eruptions are inherently hazardous events, hence cannot be described by detailed and accurate in situ measurements. As a result, volcanic explosive phenomenology is poorly understood in terms of its physics and inadequately constrained in terms of initial, boundary, and inflow conditions. Consequently, little to no real-time data exist to validate computer codes developed to model these geophysical events as a whole. However, code validation remains a necessary step, particularly when volcanologists use numerical data for assessment and mitigation of volcanic hazards as more often performed nowadays. We suggest performing the validation task in volcanology in two steps as followed. First, numerical geo-modelers should perform the validation task against simple and well-constrained analog (small-scale) experiments targeting the key physics controlling volcanic cloud phenomenology. This first step would be a validation analysis as classically performed in engineering and in CFD sciences. In this case, geo-modelers emphasize on validating against analog experiments that unambiguously represent the key-driving physics. The second "geo-validation" step is to compare numerical results against geophysical-geological (large-scale) events which are described. as thoroughly as possible. in terms of boundary, initial, or flow conditions. Although this last step can only be a qualitative comparison against a non-fully closed system event -hence it is not per se a validation analysis-, it nevertheless attempts to rationally use numerical geo-models for large-scale volcanic phenomenology. This last step, named "field validation or geo-validation", is as important in order to convince policy maker of the adequacy of numerical tools for modeling large-scale explosive volcanism phenomenology. C1 [Dartevelle, Sebastien] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Dartevelle, S (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 45 TC 0 Z9 0 U1 1 U2 1 PU IGI GLOBAL PI HERSEY PA 701 E CHOCOLATE AVE, STE 200, HERSEY, PA 17033-1240 USA BN 978-1-61520-652-0; 978-1-61520-651-3 PY 2011 BP 398 EP 429 DI 10.4018/978-1-61520-651-3.ch013 D2 10.4018/978-1-61520-651-3 PG 32 WC Mathematics, Applied; Mechanics SC Mathematics; Mechanics GA BD7PE UT WOS:000363418500015 ER PT J AU Millett, PC El-Azab, A Wolf, D AF Millett, Paul C. El-Azab, Anter Wolf, Dieter TI Phase-field simulation of irradiated metals Part II: Gas bubble kinetics SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE Phase-field simulation; Irradiation damage; Radiation damage ID HELIUM BUBBLES; GRAIN-GROWTH; RE-SOLUTION; FISSION; NUCLEATION; RELEASE; REACTOR; SYSTEM; FUEL AB The phase-field model developed in Part I of this work is expanded to include fission gas generation, diffusion, and segregation within bubbles nucleated both homogeneously and heterogeneously along grain boundaries. Illustrative results are presented that characterize bubble growth and shrinkage, as well as the bubble density, size and nucleation rate as a function of the irradiation conditions. Finally, intergranular bubble characteristics such as shape, pinning energy and bubble density are investigated. (C) 2010 Elsevier B.V. All rights reserved. C1 [Millett, Paul C.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [El-Azab, Anter] Florida State Univ, Tallahassee, FL 32310 USA. [Wolf, Dieter] Argonne Natl Lab, Argonne, IL 60439 USA. RP Millett, PC (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM paul.millett@inl.gov FU INL through DOE Idaho Operations Office [DE-AC07-051D14517V]; DOE FX This work was supported through the INL Laboratory Directed Research and Development program under DOE Idaho Operations Office contract no. DE-AC07-051D14517V. We also acknowledge support from two DOE programs: the Energy Frontier Research Center (EFRC) for Materials Science of Nuclear Fuel and the Nuclear Energy Modeling and Simulation (NEAMS) program (Cetin Unal as Fuels IPSC program lead). In addition, this manuscript benefited from technical discussions with Michael Tonks (INL) and Srujan Rokkam (FSU). NR 20 TC 18 Z9 19 U1 2 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 J9 COMP MATER SCI JI Comput. Mater. Sci. PD JAN PY 2011 VL 50 IS 3 BP 960 EP 970 DI 10.1016/j.commatsci.2010.10.032 PG 11 WC Materials Science, Multidisciplinary SC Materials Science GA 718ZX UT WOS:000287167500021 ER PT J AU Waanders, BGV Carnes, BR AF Waanders, Bart G. van Bloemen Carnes, Brian R. TI Optimization under adaptive error control for finite element based simulations SO COMPUTATIONAL MECHANICS LA English DT Article DE Optimization; PDE constrained optimization; Error estimation; Adjoint; Adaptivity; Parameter estimation; Contact tank reactor ID PARTIAL-DIFFERENTIAL-EQUATIONS; PDE-CONSTRAINED OPTIMIZATION; KRYLOV-SCHUR METHODS; RECOVERY; SOLVER AB Optimization problems constrained by complex dynamics can lead to computationally challenging problems especially when high accuracy and efficiency are required. We present an approach to adaptively control numerical errors in optimization problems approximated using the finite element method. The discrete adjoint equation serves as a key tool to efficiently compute both parameter sensitivities and goal-oriented error estimates at the same discretized levels. By using a recovery method for the error estimators, we avoid expensive higher order adjoint calculations. We nest the adaptivity of the mesh within the optimization algorithm, which is responsible for converging both the state and optimization algorithms and thereby allowing the reuse of state, parameters, and reduced Hessian in subsequent optimization iterations. Our approach is demonstrated on a parameter estimation problem for contamination transport in a contact tank reactor. Significant efficiency and accuracy improvements are realized in comparison to uniform grid refinement strategies and black-box optimization methods. A flexible and maintainable software interface was developed to provide access between the underlying linear algebra of a production simulator and advanced numerical algorithms such as optimization and error estimation. C1 [Waanders, Bart G. van Bloemen; Carnes, Brian R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Waanders, BGV (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM bartv@sandia.gov NR 25 TC 1 Z9 1 U1 0 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0178-7675 J9 COMPUT MECH JI Comput. Mech. PD JAN PY 2011 VL 47 IS 1 BP 49 EP 63 DI 10.1007/s00466-010-0530-0 PG 15 WC Mathematics, Interdisciplinary Applications; Mechanics SC Mathematics; Mechanics GA 705GO UT WOS:000286117100004 ER PT B AU Bylaska, E Tsemekhman, K Govind, N Valiev, M AF Bylaska, Eric Tsemekhman, Kiril Govind, Niranjan Valiev, Marat BE Reimers, JR TI Large-Scale Plane-Wave-Based Density Functional Theory: Formalism, Parallelization, and Applications SO COMPUTATIONAL METHODS FOR LARGE SYSTEMS: ELECTRONIC STRUCTURE APPROACHES FOR BIOTECHNOLOGY AND NANOTECHNOLOGY LA English DT Article; Book Chapter ID ELECTRONIC-STRUCTURE CALCULATIONS; NORM-CONSERVING PSEUDOPOTENTIALS; TOTAL-ENERGY CALCULATIONS; INITIO MOLECULAR-DYNAMICS; SPACE GAUSSIAN PSEUDOPOTENTIALS; PERIODIC BOUNDARY-CONDITIONS; SELF-CONSISTENT CALCULATIONS; ELASTIC NEUTRON-SCATTERING; CAR-PARRINELLO METHOD; AB-INITIO C1 [Bylaska, Eric; Govind, Niranjan; Valiev, Marat] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. [Tsemekhman, Kiril] Univ Washington, Seattle, WA 98195 USA. RP Bylaska, E (reprint author), Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. NR 139 TC 10 Z9 10 U1 0 U2 0 PU BLACKWELL SCIENCE PUBL PI OXFORD PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND BN 978-0-470-93076-2; 978-0-470-48788-4 PY 2011 BP 77 EP 116 D2 10.1002/9780470930779 PG 40 WC Computer Science, Theory & Methods; Nanoscience & Nanotechnology SC Computer Science; Science & Technology - Other Topics GA BB1XF UT WOS:000341436500004 ER PT B AU Kowalski, K Hammond, JR de Jong, WA Fan, PD Valiev, M Wang, DY Govind, N AF Kowalski, Karol Hammond, Jeff R. de Jong, Wibe A. Fan, Peng-Dong Valiev, Marat Wang, Dunyou Govind, Niranjan BE Reimers, JR TI Coupled-Cluster Calculations for Large Molecular and Extended Systems SO COMPUTATIONAL METHODS FOR LARGE SYSTEMS: ELECTRONIC STRUCTURE APPROACHES FOR BIOTECHNOLOGY AND NANOTECHNOLOGY LA English DT Article; Book Chapter ID EXCITED ELECTRONIC STATES; DENSITY-FUNCTIONAL THEORY; FREE-BASE PORPHIN; POLARIZED BASIS-SETS; FREQUENCY-DEPENDENT POLARIZABILITIES; ULTRAFAST INTERNAL-CONVERSION; 2ND-ORDER PERTURBATION-THEORY; TRIPLE EXCITATION CORRECTIONS; LINEAR-RESPONSE CALCULATION; SYMMETRY-ADAPTED-CLUSTER C1 [Kowalski, Karol] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. [Kowalski, Karol; de Jong, Wibe A.; Fan, Peng-Dong; Valiev, Marat; Wang, Dunyou; Govind, Niranjan] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. [Hammond, Jeff R.] Univ Chicago, Chicago, IL 60637 USA. RP Kowalski, K (reprint author), Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. NR 133 TC 28 Z9 28 U1 0 U2 1 PU BLACKWELL SCIENCE PUBL PI OXFORD PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND BN 978-0-470-93076-2; 978-0-470-48788-4 PY 2011 BP 167 EP 200 D2 10.1002/9780470930779 PG 34 WC Computer Science, Theory & Methods; Nanoscience & Nanotechnology SC Computer Science; Science & Technology - Other Topics GA BB1XF UT WOS:000341436500006 ER PT J AU Brown, AA Kostka, TD Antoun, BR Chiesa, ML Bammann, DJ Pitts, SA Margolis, SB O'Connor, D Yang, NYC AF Brown, Arthur A. Kostka, Timothy D. Antoun, Bonnie R. Chiesa, Michael L. Bammann, Douglas J. Pitts, Stephanie A. Margolis, Stephen B. O'Connor, Devin Yang, Nancy Y. C. BE Onate, E Owen, DRJ Peric, D Suarez, B TI VALIDATION OF THERMAL-MECHANICAL MODELING OF STAINLESS STEEL FORGINGS SO COMPUTATIONAL PLASTICITY XI: FUNDAMENTALS AND APPLICATIONS LA English DT Proceedings Paper CT 11th International Conference on Computational Plasticity (COMPLAS) - Fundamentals and Applications CY SEP 07-09, 2011 CL Barcelona, SPAIN DE Recrystallization; Forging; Thermal-Mechanical; Validation; Plasticity ID RECRYSTALLIZATION AB A constitutive model for recrystallization has been developed within the framework of an existing dislocation-based rate and temperature-dependent plasticity model. The theory has been implemented and tested in a finite element code. Material parameters were fit to data from monotonic compression tests on 304L steel for a wide range of temperatures and strain rates. The model is then validated by using the same parameter set in predictive thermal-mechanical simulations of experiments in which wedge forgings were produced at elevated temperatures. Model predictions of the final yield strengths compare well to the experimental results. C1 [Brown, Arthur A.; Kostka, Timothy D.; Antoun, Bonnie R.; Chiesa, Michael L.; Margolis, Stephen B.; Yang, Nancy Y. C.] Sandia Natl Labs, 7011 East Ave,MS9042, Livermore, CA 94550 USA. [Bammann, Douglas J.] Mississippi State Univ, Computat Mfg & Design, Mississippi State, MS 39762 USA. [Pitts, Stephanie A.] Washington State Univ, Dept Mech Engn, Pullman, WA 99164 USA. [O'Connor, Devin] Northwestern Univ, Dept Mech Engn, Evanston, IL 60208 USA. RP Brown, AA (reprint author), Sandia Natl Labs, 7011 East Ave,MS9042, Livermore, CA 94550 USA. EM aabrown@sandia.gov; bammann@cavs.msstate.edu; sapitts@wsu.edu; dtoconno@northwestern.edu FU United States Department of Energy [DEAC04- 94AL85000] FX This work was performed at Sandia National Laboratories. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DEAC04- 94AL85000. NR 14 TC 1 Z9 1 U1 0 U2 4 PU INT CENTER NUMERICAL METHODS ENGINEERING PI 08034 BARCELONA PA GRAN CAPITAN, S-N, CAMPUS NORTE UPC, MODULO C1, 08034 BARCELONA, SPAIN BN 978-84-89925-73-1 PY 2011 BP 1153 EP 1164 PG 12 WC Engineering, Multidisciplinary; Mathematics, Applied; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA BDJ76 UT WOS:000313557900105 ER PT J AU Beketayev, K Weber, GH Haranczyk, M Bremer, PT Hlawitschka, M Hamann, B AF Beketayev, K. Weber, G. H. Haranczyk, M. Bremer, P. -T. Hlawitschka, M. Hamann, B. TI Topology-based Visualization of Transformation Pathways in Complex Chemical Systems SO COMPUTER GRAPHICS FORUM LA English DT Article ID MOLECULAR SIMULATIONS; SEMIEMPIRICAL METHODS; SHAPE SELECTIVITY; CONTOUR TREES; ZEOLITES; OPTIMIZATION; ADSORPTION; LANDSCAPES; PARAMETERS AB Studying transformation in a chemical system by considering its energy as a function of coordinates of the system's components provides insight and changes our understanding of this process. Currently, a lack of effective visualization techniques for high-dimensional energy functions limits chemists to plot energy with respect to one or two coordinates at a time. In some complex systems, developing a comprehensive understanding requires new visualization techniques that show relationships between all coordinates at the same time. We propose a new visualization technique that combines concepts from topological analysis, multi-dimensional scaling, and graph layout to enable the analysis of energy functions for a wide range of molecular structures. We demonstrate our technique by studying the energy function of a dimer of formic and acetic acids and a LTA zeolite structure, in which we consider diffusion of methane. C1 [Beketayev, K.; Weber, G. H.; Haranczyk, M.] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Bremer, P. -T.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA. [Beketayev, K.; Weber, G. H.; Hlawitschka, M.; Hamann, B.] Univ Calif Davis, Dept Comp Sci, Inst Data Anal & Visualizat, Davis, CA 95616 USA. RP Beketayev, K (reprint author), Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. RI Haranczyk, Maciej/A-6380-2014; OI Haranczyk, Maciej/0000-0001-7146-9568; Weber, Gunther/0000-0002-1794-1398 FU U.S. Department of Energy [DE-AC02-05CH11231]; SciDAC-e grant; National Science Foundation [CCF-0702817] FX The authors wish to thank Mr. Joseph Swisher for valuable comments. This work was supported by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 through the Scientific Discovery through Advanced Computing (SciDAC) program's Visualization and Analytics Center for Enabling Technologies (VACET), a SciDAC-e grant (to M. Haranczyk) "Accelerating Discovery of New Materials for Energy-related Gas Separations through PDEbased Mathematical and Geometrical Algorithms and Advanced Visualization", the grants "High Performance Visualization" and "Topology-based Visualization and Analysis of Multi-dimensional Data and Time-varying Data at the Extreme Scale," and by the National Science Foundation through grant CCF-0702817. NR 31 TC 4 Z9 4 U1 1 U2 3 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0167-7055 J9 COMPUT GRAPH FORUM JI Comput. Graph. Forum PY 2011 VL 30 IS 3 BP 663 EP 672 DI 10.1111/j.1467-8659.2011.01915.x PG 10 WC Computer Science, Software Engineering SC Computer Science GA 784NP UT WOS:000292164300004 ER PT J AU Anderson, EW Potter, KC Matzen, LE Shepherd, JF Preston, GA Silva, CT AF Anderson, E. W. Potter, K. C. Matzen, L. E. Shepherd, J. F. Preston, G. A. Silva, C. T. TI A User Study of Visualization Effectiveness Using EEG and Cognitive Load SO COMPUTER GRAPHICS FORUM LA English DT Article ID WORKING-MEMORY; PREFRONTAL CORTEX; OSCILLATIONS; UNCERTAINTY; ACTIVATION; MODEL; TASK; BOX AB Effectively evaluating visualization techniques is a difficult task often assessed through feedback from user studies and expert evaluations. This work presents an alternative approach to visualization evaluation in which brain activity is passively recorded using electroencephalography ( EEG). These measurements are used to compare different visualization techniques in terms of the burden they place on a viewer's cognitive resources. In this paper, EEG signals and response times are recorded while users interpret different representations of data distributions. This information is processed to provide insight into the cognitive load imposed on the viewer. This paper describes the design of the user study performed, the extraction of cognitive load measures from EEG data, and how those measures are used to quantitatively evaluate the effectiveness of visualizations. C1 [Anderson, E. W.; Potter, K. C.; Silva, C. T.] Univ Utah, SCI Inst, Salt Lake City, UT 84112 USA. [Matzen, L. E.; Shepherd, J. F.] Sandia Natl Labs, Livermore, CA 94550 USA. [Preston, G. A.] Utah State Hosp, Provo, UT USA. RP Anderson, EW (reprint author), Univ Utah, SCI Inst, Salt Lake City, UT 84112 USA. FU National Science Foundation [IIS-0905385, CNS-0855167, IIS-0844546, ATM-0835821, CNS-0751152, OCE-0424602, CNS-0514485, IIS-0513692, CNS-0524096, CCF-0401498, OISE-0405402, CCF-0528201, CNS-0551724, CNS-0615194]; King Abdullah University of Science and Technology (KAUST), the Department of Energy [KUS-C1-016-04]; IBM FX The authors would like to thank the anonymous reviewers for their insightful comments. We also thank Dr. Laura McNamara for discussions on experimental design, and Dr. Joel Daniels II for his help and advice. This work was supported in part by grants from the National Science Foundation (IIS-0905385, CNS-0855167, IIS-0844546, ATM-0835821, CNS-0751152, OCE-0424602, CNS-0514485, IIS-0513692, CNS-0524096, CCF-0401498, OISE-0405402, CCF-0528201, CNS-0551724, CNS-0615194), Award No. KUS-C1-016-04, made by King Abdullah University of Science and Technology (KAUST), the Department of Energy, and IBM Faculty Awards. NR 42 TC 31 Z9 31 U1 2 U2 15 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0167-7055 EI 1467-8659 J9 COMPUT GRAPH FORUM JI Comput. Graph. Forum PY 2011 VL 30 IS 3 BP 791 EP 800 DI 10.1111/j.1467-8659.2011.01928.x PG 10 WC Computer Science, Software Engineering SC Computer Science GA 784NP UT WOS:000292164300017 ER PT J AU Williams, S Hecht, M Petersen, M Strelitz, R Maltrud, M Ahrens, J Hlawitschka, M Hamann, B AF Williams, S. Hecht, M. Petersen, M. Strelitz, R. Maltrud, M. Ahrens, J. Hlawitschka, M. Hamann, B. TI Visualization and Analysis of Eddies in a Global Ocean Simulation SO COMPUTER GRAPHICS FORUM LA English DT Article ID OF-THE-ART; OVERTURNING CIRCULATION; GENERAL-CIRCULATION; FLOW VISUALIZATION; TRACKING; ATLANTIC; SEA; 1/10-DEGREES; VORTICITY; TOPOLOGY AB We present analysis and visualization of flow data from a high-resolution simulation of the dynamical behavior of the global ocean. Of particular scientific interest are coherent vortical features called mesoscale eddies. We first extract high-vorticity features using a metric from the oceanography community called the Okubo-Weiss parameter. We then use a new circularity criterion to differentiate eddies from other non-eddy features like meanders in strong background currents. From these data, we generate visualizations showing the three-dimensional structure and distribution of ocean eddies. Additionally, the characteristics of each eddy are recorded to form an eddy census that can be used to investigate correlations among variables such as eddy thickness, depth, and location. From these analyses, we gain insight into the role eddies play in large-scale ocean circulation. C1 [Williams, S.; Hecht, M.; Petersen, M.; Strelitz, R.; Ahrens, J.] Los Alamos Natl Lab, Comp Computat & Stat Sci Div, Los Alamos, NM 87545 USA. [Williams, S.; Hlawitschka, M.; Hamann, B.] Univ Calif Davis, Dept Comp Sci, IDAV, Davis, CA 95616 USA. [Maltrud, M.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Williams, S (reprint author), Los Alamos Natl Lab, Comp Computat & Stat Sci Div, Los Alamos, NM 87545 USA. OI Hecht, Matthew/0000-0003-0946-4007; Petersen, Mark/0000-0001-7170-7511 FU Department of Energy (DOE) Office of Science (OSC) Biological and Environmental Research (BER); LANL-UC Davis Materials Design Institute; NSF [CCF-0702817] FX This work was supported by the Department of Energy (DOE) Office of Science (OSC) Biological and Environmental Research (BER) Climate Visualization Program, the LANL-UC Davis Materials Design Institute, and in part by NSF grant CCF-0702817. Finally, we thank the members of the Institute for Data Analysis and Visualization (IDAV), Department of Computer Science, UC Davis, and the Applied Computer Science group at Los Alamos National Laboratory. NR 40 TC 9 Z9 9 U1 2 U2 10 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0167-7055 J9 COMPUT GRAPH FORUM JI Comput. Graph. Forum PY 2011 VL 30 IS 3 BP 991 EP 1000 DI 10.1111/j.1467-8659.2011.01948.x PG 10 WC Computer Science, Software Engineering SC Computer Science GA 784NP UT WOS:000292164300037 ER PT J AU Woodring, J Ahrens, J Figg, J Wendelberger, J Habib, S Heitmann, K AF Woodring, J. Ahrens, J. Figg, J. Wendelberger, J. Habib, S. Heitmann, K. TI In-situ Sampling of a Large-Scale Particle Simulation for Interactive Visualization and Analysis SO COMPUTER GRAPHICS FORUM LA English DT Article ID UNCERTAINTY AB We describe a simulation-time random sampling of a large-scale particle simulation, the RoadRunner Universe MC3 cosmological simulation, for interactive post-analysis and visualization. Simulation data generation rates will continue to be far greater than storage bandwidth rates by many orders of magnitude. This implies that only a very small fraction of data generated by a simulation can ever be stored and subsequently post-analyzed. The limiting factors in this situation are similar to the problem in many population surveys: there aren't enough human resources to query a large population. To cope with the lack of resources, statistical sampling techniques are used to create a representative data set of a large population. Following this analogy, we propose to store a simulation-time random sampling of the particle data for post-analysis, with level-of-detail organization, to cope with the bottlenecks. A sample is stored directly from the simulation in a level-of-detail format for post-visualization and analysis, which amortizes the cost of post-processing and reduces workflow time. Additionally by sampling during the simulation, we are able to analyze the entire particle population to record full population statistics and quantify sample error. C1 [Woodring, J.; Ahrens, J.] Los Alamos Natl Lab, CCS Appl Comp Sci Grp 7, Los Alamos, NM 87545 USA. [Figg, J.; Wendelberger, J.] Los Alamos Natl Lab, CCS Stat Sci Grp 6, Los Alamos, NM 87545 USA. [Habib, S.] Los Alamos Natl Lab, Nucl & Particle Phys Astrophys & Cosmol Grp T2, Los Alamos, NM 87545 USA. [Heitmann, K.] Los Alamos Natl Lab, ISR Space Sci & Applicat Grp 1, Los Alamos, NM 87545 USA. RP Woodring, J (reprint author), Los Alamos Natl Lab, CCS Appl Comp Sci Grp 7, Los Alamos, NM 87545 USA. OI Wendelberger, Joanne/0000-0001-5879-3945 FU Department of Energy (DOE) National Nuclear Security Administration (NNSA) Advanced Simulation and Computing (ASC) Computational Systems and Software Environment (CSSE); DOE Office of Science (OSC) Advanced Scientific Computing Research (ASCR); Los Alamos National Laboratory (LANL) Laboratory Directed Research and Development (LDRD) FX This work was supported by the Department of Energy (DOE) National Nuclear Security Administration (NNSA) Advanced Simulation and Computing (ASC) Computational Systems and Software Environment (CSSE), DOE Office of Science (OSC) Advanced Scientific Computing Research (ASCR), and Los Alamos National Laboratory (LANL) Laboratory Directed Research and Development (LDRD). NR 31 TC 5 Z9 6 U1 0 U2 2 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0167-7055 J9 COMPUT GRAPH FORUM JI Comput. Graph. Forum PY 2011 VL 30 IS 3 BP 1151 EP 1160 DI 10.1111/j.1467-8659.2011.01964.x PG 10 WC Computer Science, Software Engineering SC Computer Science GA 784NP UT WOS:000292164300053 ER PT J AU Tasora, A Anitescu, M AF Tasora, A. Anitescu, M. TI A matrix-free cone complementarity approach for solving large-scale, nonsmooth, rigid body dynamics SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE Large-scale multibody; Contact; Friction; Cone complementarity problem ID DIFFERENTIAL VARIATIONAL-INEQUALITIES; MULTIBODY DYNAMICS; CONTACT PROBLEMS; COULOMB-FRICTION; MECHANICAL SYSTEMS; CONVERGENCE; SIMULATION; BODIES; IMPACT AB This paper proposes an iterative method that can simulate mechanical systems featuring a large number of contacts and joints between rigid bodies. The numerical method behaves as a contractive mapping that converges to the solution of a cone complementarity problem by means of iterated fixed-point steps with separable projections onto convex manifolds. Since computational speed and robustness are important issues when dealing with a large number of frictional contacts, we have performed special algorithmic optimizations in order to translate the numerical scheme into a matrix-free algorithm with O(n) space complexity and easy implementation. A modified version, that can run on parallel computers is discussed. A multithreaded version of the method has been used to simulate systems with more than a million contacts with friction. (C) 2010 Elsevier B.V. All rights reserved. C1 [Tasora, A.] Univ Parma, Dipartimento Ingn Ind, I-43100 Parma, Italy. [Anitescu, M.] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Tasora, A (reprint author), Univ Parma, Dipartimento Ingn Ind, I-43100 Parma, Italy. EM tasora@ied.unipr.it; anitescu@mcs.anl.gov RI Tasora, Alessandro/G-2592-2010 FU U.S. Department of Energy [DE-AC02-06CH11357]; Italian Ministry of University [2007Z7K4ZB] FX We thank Erwin Coumans for hints about collision detection algorithms, and Dan Negrut for comments on an earlier version of the paper. Mihai Anitescu was supported by Contract DE-AC02-06CH11357 of the U.S. Department of Energy. Financial support for A. Tasora is provided in part by the Italian Ministry of University under PRIN grant 2007Z7K4ZB. NR 47 TC 25 Z9 25 U1 0 U2 6 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2011 VL 200 IS 5-8 BP 439 EP 453 DI 10.1016/j.cma.2010.06.030 PG 15 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 715SA UT WOS:000286905000002 ER PT J AU Kim, J Tchelepi, HA Juanes, R AF Kim, J. Tchelepi, H. A. Juanes, R. TI Stability and convergence of sequential methods for coupled flow and geomechanics: Drained and undrained splits SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE Geomechanics; Poromechanics; Stability analysis; Convergence analysis; Drained split; Undrained split ID PARTITIONED SOLUTION PROCEDURE; STAGGERED SOLUTION PROCEDURES; FINITE-ELEMENT METHODS; FLUID-FLOW; B-STABILITY; RESERVOIR; CONSOLIDATION; PLASTICITY; ALGORITHMS; STRESS AB We perform a stability and convergence analysis of sequential methods for coupled flow and geomechanics, in which the mechanics sub-problem is solved first. We consider slow deformations, so that inertia is negligible and the mechanical problem is governed by an elliptic equation. We use Biot's self-consistent theory to obtain the classical parabolic-type flow problem. We use a generalized midpoint rule (parameter a between 0 and 1) time discretization, and consider two classical sequential methods: the drained and undrained splits. The von Neumann method provides sharp stability estimates for the linear poroelasticity problem. The drained split with backward Euler time discretization (alpha = 1) is conditionally stable, and its stability depends only on the coupling strength, and it is independent of time step size. The drained split with the midpoint rule (alpha = 0.5) is unconditionally unstable. The mixed time discretization, with alpha = 1.0 for mechanics and alpha = 0.5 for flow, has the same stability properties as the backward Euler scheme. The von Neumann method indicates that the undrained split is unconditionally stable when alpha >= 0.5. We extend the stability analysis to the nonlinear regime (poro-elastoplasticity) via the energy method. It is well known that the drained split does not inherit the contractivity property of the continuum problem, thereby precluding unconditional stability. For the undrained split we show that it is B-stable (therefore unconditionally stable at the algorithmic level) when alpha >= 0.5. We also analyze convergence of the drained and undrained splits, and derive the a priori error estimates from matrix algebra and spectral analysis. We show that the drained split with a fixed number of iterations is not convergent even when it is stable. The undrained split with a fixed number of iterations is convergent for a compressible system (i.e., finite Blot modulus). For a nearly-incompressible system (i.e., very large Blot modulus), the undrained split loses first-order accuracy, and becomes non-convergent in time. We also study the rate of convergence of both splits when they are used in a fully-iterated sequential scheme. When the medium permeability is high or the time step size is large, which corresponds to a high diffusion of pressure, the error amplification of the drained split is lower and therefore converges faster than the undrained split. The situation is reversed in the case of low permeability and small time step size. We provide numerical experiments supporting all the stability and convergence estimates of the drained and undrained splits, in the linear and nonlinear regimes. We also show that our spatial discretization (finite volumes for flow and finite elements for mechanics) removes the well-documented spurious instability in consolidation problems at early times. (c) 2011 Elsevier B.V. All rights reserved. C1 [Juanes, R.] MIT, Dept Civil & Environm Engn, Cambridge, MA 02139 USA. [Kim, J.; Tchelepi, H. A.] Stanford Univ, Dept Energy Resources Engn, Stanford, CA 94305 USA. [Kim, J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Juanes, R (reprint author), MIT, Dept Civil & Environm Engn, 77 Massachusetts Ave,Bldg 48-319, Cambridge, MA 02139 USA. EM JihoonKim@lbl.gov; tchelepi@stanford.edu; juanes@mit.edu RI Juanes, Ruben/F-8004-2011; Tchelepi, Hamdi/F-4500-2012 FU Stanford University Petroleum Research Institute for Reservoir Simulation - SUPRI-B; Computer Modeling Group Foundation; Eni S.p.A., and the ARCO Chair in Energy Studies FX The authors thank Prof. Ignacio Romero (Polytechnic University of Madrid) and Prof. Ronaldo Borja (Stanford University) for extended discussions on the analysis and implementation. Funding for this research was provided by the industrial affiliates of the Stanford University Petroleum Research Institute for Reservoir Simulation - SUPRI-B - and the Computer Modeling Group Foundation (to J. Kim and H.A. Tchelepi), and by Eni S.p.A., and the ARCO Chair in Energy Studies (to R. Juanes). This financial support is gratefully acknowledged. NR 72 TC 33 Z9 33 U1 1 U2 20 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 EI 1879-2138 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2011 VL 200 IS 23-24 BP 2094 EP 2116 DI 10.1016/j.cma.2011.02.011 PG 23 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 779DO UT WOS:000291758500009 ER PT J AU Stull, CJ Nichols, JM Earls, CJ AF Stull, Christopher J. Nichols, Jonathan M. Earls, Christopher J. TI Stochastic inverse identification of geometric imperfections in shell structures SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE Shell buckling; Initial imperfections; Stochastic inverse problems ID RANDOM INITIAL IMPERFECTIONS; MIXED INTERPOLATION; BEHAVIOR; PANELS AB It is now widely known that the presence of geometric imperfections in shell structures constitutes an important contribution to the discrepancy between theoretical and experimentally realizable ultimate loads governed by buckling. The present paper describes a method by which an actual initial imperfection field may be estimated using the service load response of a shell structure. The approach requires solving a stochastic inverse problem wherein uncertainty regarding initial imperfection predictions is expressed within the context of a Bayesian posterior distribution. The proposed approach could be applied to condition assessment and performance evaluation activities in practice. (C) 2011 Elsevier B.V. All rights reserved. C1 [Earls, Christopher J.] Cornell Univ, Sch Civil & Env Eng, Ithaca, NY 14853 USA. [Stull, Christopher J.] Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87545 USA. [Nichols, Jonathan M.] USN, Res Lab, Div Opt Sci, Washington, DC 20375 USA. RP Earls, CJ (reprint author), Cornell Univ, Sch Civil & Env Eng, 220 Hollister Hall, Ithaca, NY 14853 USA. EM earls@cornell.edu FU Office of Naval Research, Division 331, Ship System and Engineering Research [N00014-09-1-0532, N00014-09-1-0310] FX The authors gratefully acknowledge the Office of Naval Research, Division 331, Ship System and Engineering Research, for their support of this work through Grants N00014-09-1-0532 and N00014-09-1-0310. The authors would also like to thank Dr. Paul Hess of Division 331 for his many helpful discussions. NR 30 TC 11 Z9 11 U1 0 U2 5 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 EI 1879-2138 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2011 VL 200 IS 25-28 BP 2256 EP 2267 DI 10.1016/j.cma.2011.03.012 PG 12 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 781AG UT WOS:000291902400010 ER PT J AU Zhang, QH AF Zhang, Qinghai TI High-order, multidimensional, and conservative coarse-fine interpolation for adaptive mesh refinement SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE Adaptive mesh refinement; Coarse-fine interpolation; AMRCFI; Principal lattice; Constrained least square; The convection-diffusion equation ID FLOWS AB The author presents a polynomial-based algorithm for high-order multidimensional interpolation at the coarse-fine interface in the context of adaptive mesh refinement on structured Cartesian grids. The proposed algorithm reduces coarse-fine interpolation to matrix-vector products by exploiting the static mesh geometry and a family of nonsingularity-preserving stencil transformations. As such, no linear system is solved at the runtime and the ill-conditioning of Vandermonde matrix is avoided. The algorithm is also generic in that D, the dimensionality of the computational domain, and p, the degree of the interpolating polynomial, are both arbitrary positive integers. Stability and accuracy are verified by interpolating simple functions, and by applying the proposed method to adaptively solving Poisson's equation and the convection-diffusion equation. The companion MATLAB package, AMRCFI, is also freely available for convenience and more implementation details. (C) 2011 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, High Performance Comp Res Dept, Appl Numer Algorithms Grp, Berkeley, CA 94720 USA. RP Zhang, QH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, High Performance Comp Res Dept, Appl Numer Algorithms Grp, Berkeley, CA 94720 USA. EM QHZhang@lbl.gov RI Zhang, Qinghai/A-3637-2009 OI Zhang, Qinghai/0000-0002-3655-4190 NR 15 TC 4 Z9 4 U1 1 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2011 VL 200 IS 45-46 BP 3159 EP 3168 DI 10.1016/j.cma.2011.07.009 PG 10 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 831TK UT WOS:000295753800017 ER PT J AU Lin, HW Cohen, SD Liu, LM Mathur, N Orginos, K Walker-Loud, A AF Lin, Huey-Wen Cohen, Saul D. Liu, Liuming Mathur, Nilmani Orginos, Kostas Walker-Loud, Andre TI Heavy-baryon spectroscopy from lattice QCD SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE Lattice gauge theory; Charmed baryons; Bottom baryons AB We use a four-dimensional lattice calculation of the full-QCD (quantum chromodynamics the non-abelian gauge theory of the strong interactions of quarks and gluons) path integrals needed to determine the masses of the charmed and bottom baryons In the charm sector our results are in good agreement with experiment within our systematics except for the spin-1/2 Xi(cc) for which we found the isospin-averaged mass to be Xi(cc) to be 3665 +/- 17 +/- 14(-78)(+0) MeV We predict the mass of the (isospin-averaged) spin-1/2 Omega(cc) to be 3763 +/- 19 +/- 26(-79)(+13) MeV In the bottom sector our results are also in agreement with experimental observations and other lattice calculations within our statistical and systematic errors In particular we find the mass of the Omega(b) to be consistent with the recent CDF measurement We also predict the mass for the as yet unobserved Xi'(h) to be 5955(27) MeV (C) 2010 Published by Elsevier B V C1 [Lin, Huey-Wen] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Cohen, Saul D.] Boston Univ, Ctr Computat Sci, Boston, MA 02215 USA. [Liu, Liuming; Orginos, Kostas; Walker-Loud, Andre] Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. [Liu, Liuming; Orginos, Kostas] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Mathur, Nilmani] Tata Inst Fundamental Res, Dept Theoret Phys, Bombay 400005, Maharashtra, India. RP Lin, HW (reprint author), Univ Washington, Dept Phys, Seattle, WA 98195 USA. OI Cohen, Saul/0000-0001-6804-3320 FU U S Dept of Energy [DE-FG03-97ER4014]; European Physical Society (EPS) FX H L is supported by the U S Dept of Energy under Grant No DE-FG03-97ER4014 H L thanks European Physical Society (EPS) for awarding the conference grants to attend the 2009 Conference on Computational Physics These calculations were performed using the Chroma software suite [11] NR 11 TC 5 Z9 5 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD JAN PY 2011 VL 182 IS 1 BP 24 EP 26 DI 10.1016/j.cpc.2010.07.004 PG 3 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 691YY UT WOS:000285119900008 ER PT J AU Yuan, XF Jardin, SC Keyes, DE AF Yuan, Xuefei Jardin, Stephen C. Keyes, David E. TI Moving grids for magnetic reconnection via Newton-Krylov methods SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE Adaptive grid; Curvilinear coordinates; Lagrangian velocity; Magnetic reconnection; Newton-Krylov method AB This paper presents a set of computationally efficient adaptive grids for magnetic reconnection phenomenon where the current density can develop large gradients in the reconnection region Four-field extended MagnetoHydroDynamics (MHD) equations with hyperviscosity terms are transformed so that the curvilinear coordinates replace the Cartesian coordinates as the independent variables and moving grids velocities are also considered in this transformed system as a part of interpolating the physical solutions from the old grid to the new grid as time advances The curvilinear coordinates derived from the current density through the Monge-Kantorovich (MK) optimization approach help to reduce the resolution requirements during the computation (C) 2010 Elsevier B V All rights reserved C1 [Yuan, Xuefei; Keyes, David E.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Jardin, Stephen C.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. [Keyes, David E.] King Abdullah Univ Sci & Technol, Div Math & Comp Sci & Engn, Jeddah 21534, Saudi Arabia. RP Yuan, XF (reprint author), Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. OI Keyes, David Elliot/0000-0002-4052-7224 NR 7 TC 2 Z9 2 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD JAN PY 2011 VL 182 IS 1 BP 173 EP 176 DI 10.1016/j.cpc.2010.06.009 PG 4 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 691YY UT WOS:000285119900055 ER PT J AU Chen, KJ Heger, A Almgren, AS AF Chen, Ke-Jung Heger, Alexander Almgren, Ann S. TI Multidimensional simulations of pair-instability supernovae SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE Stellar evolution; Massive star; Pair-instability supernovae ID POPULATION-III; 1ST STARS; EXPLOSIONS; EVOLUTION; UNIVERSE AB We present preliminary results from multidimensional numerical studies of pair-instability supernova (PSN) studying the fluid instabilities that occur in multiple spatial dimensions We use the new radiation-hydrodynamics code CASTRO and introduce a new mapping procedure that defines the initial conditions for the multidimensional runs in such a way that conservation of physical quantities is guaranteed at any level of resolution (C) 2010 Elsevier B V All rights reserved C1 [Chen, Ke-Jung; Heger, Alexander] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Almgren, Ann S.] Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Chen, KJ (reprint author), Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. FU DOE [DOE-FC02-01ER41176, DOE-FC02-06ER41438, DE-FC02-09ER41618]; US Department of Energy [DE-FG02-87ER40328] FX The authors would like to thank members of the Center for Computational Sciences and Engineering (CCSE) at LBNL for their invaluable support with using CASTRO We would like to thank Candace Joggerst and Haitao Ma for assistance with CASTRO and Laurens Meek David Porter, Shuxia Zhang Adam Burrows and Stan Woosley for many useful discussions The simulations were performed at Minnesota Supercomputing Institute (MSI) This project has been supported by the DOE SciDAC program under grants DOE-FC02-01ER41176, DOE-FC02-06ER41438 and DE-FC02-09ER41618, and by the US Department of Energy under grant DE-FG02-87ER40328 NR 16 TC 15 Z9 15 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD JAN PY 2011 VL 182 IS 1 BP 254 EP 256 DI 10.1016/j.cpc.2010.06.032 PG 3 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 691YY UT WOS:000285119900079 ER PT J AU Ballagh, LM Raup, BH Duerr, RE Khalsa, SJS Helm, C Fowler, D Gupte, A AF Ballagh, Lisa M. Raup, Bruce H. Duerr, Ruth E. Khalsa, Siri Jodha S. Helm, Christopher Fowler, Doug Gupte, Amruta TI Representing scientific data sets in KML: Methods and challenges SO COMPUTERS & GEOSCIENCES LA English DT Article DE Virtual Globe; Google Earth; Science education and outreach; Cryosphere; Snow and ice ID VIRTUAL GLOBES; TOOL AB Virtual Globes such as Google Earth and NASA World Wind permit users to explore rich imagery and the topography of the Earth. While other online services such as map servers provide ways to view, query, and download geographic information, the public has become captivated with the ability to view the Earth's features virtually. The National Snow and Ice Data Center began to display scientific data on Virtual Globes in 2006. The work continues to evolve with the production of high-quality Keyhole Markup Language (KML) representations of scientific data and an assortment of technical experiments. KML files are interoperable with many Virtual Globe or mapping software packages. This paper discusses the science benefits of Virtual Globes, summarizes KML creation methods, and introduces a guide for selecting tools and methods for authoring KML for use with scientific data sets. (C) 2010 Elsevier Ltd. All rights reserved. C1 [Ballagh, Lisa M.; Raup, Bruce H.; Duerr, Ruth E.; Khalsa, Siri Jodha S.; Helm, Christopher; Fowler, Doug] Univ Colorado, Natl Snow & Ice Data Ctr, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Gupte, Amruta] Univ Colorado, Dept Elect Comp & Energy Engn, Boulder, CO 80309 USA. [Helm, Christopher] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Ballagh, LM (reprint author), Univ Colorado, Natl Snow & Ice Data Ctr, Cooperat Inst Res Environm Sci, 449 UCB, Boulder, CO 80309 USA. EM vtlisa@nsidc.org RI Wright, Dawn/A-4518-2011; KHalsa, Siri Jodha/A-9338-2009; OI Wright, Dawn/0000-0002-2997-7611; KHalsa, Siri Jodha/0000-0001-9217-5550; Duerr, Ruth/0000-0003-4808-4736 FU NOAA's National Geophysical Data Center [NA17RJ1229]; NASA [NNG08HZ07C, NNG04GF51A] FX We acknowledge Ross Swick for developing the GLAS KML files and the sea ice animations. The PostGIS support for the World Glacier Inventory was provided by I-Pin Wang. The GLIMS ASTER metadata system relies on Web services from the EOS Clearing House (ECHO) system. The projects discussed in this paper were funded by NOAA's National Geophysical Data Center (cooperative agreement: NA17RJ1229) and by NASA (award numbers: NNG08HZ07C (Snow and Ice Distributed Active Archive Center) and NNG04GF51A (GLIMS)). NR 19 TC 37 Z9 41 U1 2 U2 15 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 EI 1873-7803 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD JAN PY 2011 VL 37 IS 1 SI SI BP 57 EP 64 DI 10.1016/j.cageo.2010.05.004 PG 8 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA 716WK UT WOS:000287004000007 ER PT J AU de Sterck, H Henson, V Sanders, G AF de Sterck, Hans Henson, Van Emden Sanders, Geoffrey TI MULTILEVEL AGGREGATION METHODS FOR SMALL-WORLD GRAPHS WITH APPLICATION TO RANDOM-WALK RANKING SO COMPUTING AND INFORMATICS LA English DT Article; Proceedings Paper CT International Workshop on Information Retrieval by Matrix Methods on Supercomputer Systems (IRRM 2010)/24th ACM International Conference on Supercomputing (ICs 2010) CY 2010 CL Tsukuba, JAPAN DE Markov chain; aggregation; multilevel; random graphs ID MARKOV-CHAINS; MATRICES AB We describe multilevel aggregation in the specific context of using Markov chains to rank the nodes of graphs. More generally, aggregation is a graph coarsening technique that has a wide range of possible uses regarding information retrieval applications. Aggregation successfully generates efficient multilevel methods for solving nonsingular linear systems and various eigenproblems from discretized partial differential equations, which tend to involve mesh-like graphs. Our primary goal is to extend the applicability of aggregation to similar problems on small-world graphs, with a secondary goal of developing these methods for eventual applicability towards many other tasks such as using the information in the hierarchies for node clustering or pattern recognition. The nature of small-world graphs makes it difficult for many coarsening approaches to obtain useful hierarchies that have complexity on the order of the number of edges in the original graph while retaining the relevant properties of the original graph. Here, for a set of synthetic graphs with the small-world property, we show how multilevel hierarchies formed with non-overlapping strength-based aggregation have optimal or near optimal complexity. We also provide an example of how these hierarchies are employed to accelerate convergence of methods that calculate the stationary probability vector of large, sparse, irreducible, slowly-mixing Markov chains on such small-world graphs. The stationary probability vector of a Markov chain allows one to rank the nodes in a graph based on the likelihood that a long random walk visits each node. These ranking approaches have a wide range of applications including information retrieval and web ranking, performance modeling of computer and communication systems, analysis of social networks, dependability and security analysis, and analysis of biological systems [19]. C1 [de Sterck, Hans] Univ Waterloo, Dept Appl Math, Waterloo, ON N2L 3G1, Canada. [Henson, Van Emden; Sanders, Geoffrey] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA USA. RP de Sterck, H (reprint author), Univ Waterloo, Dept Appl Math, Waterloo, ON N2L 3G1, Canada. EM hdesterck@math.waterloo.ca; henson5@llnl.gov; sanders29@llnl.gov NR 35 TC 2 Z9 2 U1 1 U2 1 PU SLOVAK ACAD SCIENCES INST INFORMATICS PI BRATISLAVA PA DUBRAVSKA CESTA 9, 84237 BRATISLAVA, SLOVAKIA SN 1335-9150 J9 COMPUT INFORM JI Comput. Inform. PY 2011 VL 30 IS 2 BP 225 EP 246 PG 22 WC Computer Science, Artificial Intelligence SC Computer Science GA 752QE UT WOS:000289706600003 ER PT B AU Pato, M Hooper, D Simet, M AF Pato, Miguel Hooper, Dan Simet, Melanie BE Giani, S Leroy, C Rancoita, PG TI Propagation of galactic cosmic rays and the AMS-02 experiment SO COSMIC RAYS FOR PARTICLE AND ASTROPARTICLE PHYSICS SE Astroparticle Particle Space Physics Radiation Interaction Detectors and Medical Physics Applications LA English DT Proceedings Paper CT 12th International Conference on Advanced Technology and Particle Physics CY OCT 07-08, 2010 CL Ctr Cultura Sci A Volta, Como, ITALY SP Univ Milano Bicocca, Direct Sci Matiere, Commissariat Energie Atom, Ctr Saclay, Town Como HO Ctr Cultura Sci A Volta DE galactic cosmic rays; cosmic ray propagation AB A precise determination of cosmic ray spectra up to TeV energies and light isotope separation are crucial steps in understanding the origin and propagation of galactic cosmic rays. Using the expected capabilities of the upcoming Alpha Magnetic Spectrometer (AMS-02), we anticipate the measurements of B/C, Be-10/Be-9 and the proton flux. This projected data set, which represents a great improvement upon the current status of GeV-TeV cosmic ray data, is then used to constrain models of injection and propagation of cosmic rays in the Milky Way. Minimal or next-to-minimal setups turn out to be tightly constrained. Nevertheless, the precise AMS-02 anticipated measurements will not be sufficient to distinguish between models with different assumptions regarding the rigidity dependence of the diffusion coefficient, source distribution and abundances or stochasticity. C1 [Pato, Miguel] Inst Astrophys, 98Bis Bd Arago, F-75014 Paris, France. [Pato, Miguel] Univ Studi Padova, Dipartimento Fis, I-35131 Padua, Italy. [Hooper, Dan] Ctr Particle Astrophys, Fermi Natl Accelerator Lab, Batavia, IL 60510 USA. [Hooper, Dan] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Simet, Melanie] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. RP Pato, M (reprint author), Inst Astrophys, 98Bis Bd Arago, F-75014 Paris, France. EM pato@iap.fr NR 5 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-981-4329-02-6 J9 ASTROPART PART SPACE PY 2011 VL 6 BP 435 EP + PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BDK75 UT WOS:000313601200054 ER PT S AU Gutfraind, A AF Gutfraind, Alexander BE Wiil, UK TI Targeting by Transnational Terrorist Groups SO COUNTERTERRORISM AND OPEN SOURCE INTELLIGENCE SE Lecture Notes in Social Networks LA English DT Article; Book Chapter ID RATIONAL CHOICE MODEL; NETWORK AB Many successful terrorist groups operate across international borders where different countries host different stages of terrorist operations. Often the recruits for the group come from one country or countries, while the targets of the operations are in another. Stopping such attacks is difficult because intervention in any region or route might merely shift the terrorists elsewhere. Here, we propose a model of transnational terrorism based on the theory of activity networks. The model represents attacks on different countries as paths in a network. The group is assumed to prefer paths of lowest cost (or risk) and maximal yield from attacks. The parameters of the model are computed for the Islamist-Salafi terrorist movement based on open source data and then used for estimation of risks of future attacks. The central finding is that the United States (US) has an enduring appeal as a target, due to lack of other nations of matching geopolitical weight or openness. It is also shown that countries in Africa and Asia that have been overlooked as terrorist bases may become highly significant threats in the future. The model quantifies the dilemmas facing countries in the effort to cut terror networks, and points to a limitation of deterrence against transnational terrorists. C1 [Gutfraind, Alexander] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Gutfraind, Alexander] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Gutfraind, A (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies, T-5, Los Alamos, NM 87545 USA. EM agutfraind.research@gmail.com OI GUTFRAIND, ALEXANDER/0000-0002-3324-2220 NR 44 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG WIEN PI VIENNA PA SACHSENPLATZ 4-6, A-1201 VIENNA, AUSTRIA SN 2190-5428 BN 978-3-7091-0387-6 J9 LECT NOTES SOC NETW PY 2011 BP 9 EP 32 DI 10.1007/978-3-7091-0388-3_2 D2 10.1007/978-3-7091-0388-3 PG 24 WC Computer Science, Artificial Intelligence; Computer Science, Interdisciplinary Applications SC Computer Science GA BWH14 UT WOS:000293867000002 ER PT S AU Li, MM Majumdar, S Natesan, K AF Li, Meimei Majumdar, S. Natesan, K. BE Saxena, A Dogan, B TI Modeling Creep-Fatigue Behavior of Mod.9Cr-1Mo Steel SO Creep-Fatigue Interactions: Test Methods and Models SE American Society for Testing and Materials Selected Technical Papers LA English DT Proceedings Paper CT ASTM International Symposium on Creep-Fatigue Interactions - Test Methods and Models CY NOV 17-19, 2010 CL San Antonio, TX SP Elect Power Res Inst DE creep-fatigue; Mod.9Cr-1Mo; ferritic steel; cyclic softening; stress relaxation; damage rate equation ID HIGH-TEMPERATURE; MARTENSITIC STEEL; FERRITIC STEEL; DESIGN AB This paper presents three models that were developed explicitly for predicting the creep-fatigue behavior of Mod.9Cr-1Mo steel. The Cyclic Softening Model incorporated tensile strain hardening and creep deformation, and described the cyclic stress variation as a function of cycle number under hold-time creep-fatigue loading. The Stress Relaxation Model predicted the stress relaxation curve during the hold time of cyclic loading, based on the creep properties of the material. The Interactive Damage Rate Equation predicted the hold-time creep-fatigue life using a methodology, in which the key materials parameters were determined by the creep properties and continuous fatigue data. The model predictions captured the trends of creep fatigue interaction in Mod.9Cr-1Mo steel, and were in good agreement with experimental data in the literature. C1 [Li, Meimei; Majumdar, S.; Natesan, K.] Argonne Natl Lab, 9700 South Cass Ave, Argonne, IL 60439 USA. RP Li, MM (reprint author), Argonne Natl Lab, 9700 South Cass Ave, Argonne, IL 60439 USA. EM mli@anl.gov FU U.S. Department of Energy, Office of Nuclear Energy [DE-AC02-06CH11357] FX Work was supported by the U.S. Department of Energy, Office of Nuclear Energy under Contract DE-AC02-06CH11357. NR 35 TC 0 Z9 0 U1 0 U2 1 PU ASTM INTERNATIONAL PI WEST CONSHOHOCKEN PA 100 BARR HARBOR DRIVE, PO BOX C700, WEST CONSHOHOCKEN, PA 19428-2959 USA SN 0066-0558 BN 978-0-8031-7525-9 J9 AM SOC TEST MATER PY 2011 VL 1539 BP 128 EP 141 DI 10.1520/JAI103824 PG 14 WC Materials Science, Characterization & Testing SC Materials Science GA BG8XI UT WOS:000392767700007 ER PT S AU Carroll, LJ Cabet, C Madland, R Wright, RN AF Carroll, L. J. Cabet, C. Madland, R. Wright, R. N. BE Saxena, A Dogan, B TI Creep and Environmental Effects on the High Temperature Creep-Fatigue Behavior of Alloy 617 SO Creep-Fatigue Interactions: Test Methods and Models SE American Society for Testing and Materials Selected Technical Papers LA English DT Proceedings Paper CT ASTM International Symposium on Creep-Fatigue Interactions - Test Methods and Models CY NOV 17-19, 2010 CL San Antonio, TX SP Elect Power Res Inst DE creep-fatigue; Alloy 617; environment; helium; creep-fatigue interaction; nickel alloy ID CORROSION AB Alloy 617 is the leading candidate material for an intermediate heat exchanger (IHX) of the very high temperature reactor (VHTR), expected to have an outlet temperature as high as 950 degrees C. Acceptance of Alloy 617 in Section III of the ASME Code for nuclear construction requires a detailed understanding of the creep-fatigue behavior. Strain-controlled low cycle fatigue (LCF) tests including hold times up to 1800 s at maximum tensile strain were conducted at 950 degrees C and a total strain range of 0.3 % in air and in a simulated VHTR impure helium. For similar test conditions, the creep-fatigue behavior was globally similar in both environments. The fatigue resistance decreased when a hold time was added at peak tensile strain, consistent with the observed change in fracture mode from transgranular to intergranular. Further increases in the tensile hold time, beyond 180 s, were not detrimental to the creep-fatigue resistance. The influence of oxidation on the fatigue crack initiation and propagation is discussed. Bulk damage in the form of grain boundary cracking was present in the interior of the creep-fatigue specimens. This bulk cracking was quantified and found to be similar for hold times of up to 1800 s consistent with the saturation in failure lives. C1 [Carroll, L. J.; Wright, R. N.] Idaho Natl Lab, 1955 Fremont,POB 1625, Idaho Falls, ID 83415 USA. [Cabet, C.] CEA, DEN, DPC, SCCME,Lab Etud Corros, F-91191 Gif Sur Yvette, France. [Madland, R.] Colorado Sch Mines, Golden, CO 80401 USA. RP Carroll, LJ (reprint author), Idaho Natl Lab, 1955 Fremont,POB 1625, Idaho Falls, ID 83415 USA. FU U.S. Department of Energy Nuclear Energy; U.S. Department of Energy [DE-AC07-05ID14517] FX The authors would like to acknowledge Dave Swank and D. C. Haggard for developing the gas chemistry system capable of controlling the helium chemistry, Joel Simpson and Randy Lloyd for conducting the creep-fatigue testing, and Tammy Trowbridge and Todd Morris for the metallurgical work. This work was supported through the U.S. Department of Energy Nuclear Energy. This manuscript has been authored or co-authored by Battelle Energy Alliance, LLC under Contract No. DE-AC07-05ID14517 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 20 TC 0 Z9 0 U1 0 U2 0 PU ASTM INTERNATIONAL PI WEST CONSHOHOCKEN PA 100 BARR HARBOR DRIVE, PO BOX C700, WEST CONSHOHOCKEN, PA 19428-2959 USA SN 0066-0558 BN 978-0-8031-7525-9 J9 AM SOC TEST MATER PY 2011 VL 1539 BP 330 EP 347 DI 10.1520/JAI103797 PG 18 WC Materials Science, Characterization & Testing SC Materials Science GA BG8XI UT WOS:000392767700016 ER PT B AU McLaughlin, JW AF McLaughlin, John W. BE Davis, KA TI PARTICIPATORY SECOND LANGUAGE LABOR EDUCATION Communities of Practice and the Foreign Worker Union Movement in Japan SO CRITICAL QUALITATIVE RESEARCH IN SECOND LANGUAGE STUDIES: AGENCY AND ADVOCACY SE Contemporary Language Education LA English DT Article; Book Chapter ID ETHNOGRAPHY; LANGUAGE C1 US DOE, Student Achievement Program, Washington, DC 20202 USA. [McLaughlin, John W.] US DOE, Sch Accountabil Program, Washington, DC 20202 USA. RP McLaughlin, JW (reprint author), US DOE, Student Achievement Program, 400 Maryland Ave,SW, Washington, DC 20202 USA. EM john.mclaughlin@ed.gov NR 69 TC 0 Z9 0 U1 0 U2 0 PU INFORMATION AGE PUBLISHING-IAP PI CHARLOTTE PA PO BOX 79049, CHARLOTTE, NC 28271-7047 USA BN 978-1-61735-384-0 J9 CONTEMP LANG EDUC PY 2011 BP 397 EP 425 PG 29 WC Education & Educational Research; Language & Linguistics SC Education & Educational Research; Linguistics GA BUR06 UT WOS:000290129700016 ER PT J AU Lin, H Balic, M Zheng, SY Datar, R Cote, RJ AF Lin, Henry Balic, Marija Zheng, Siyang Datar, Ram Cote, Richard J. TI Disseminated and circulating tumor cells: Role in effective cancer management SO CRITICAL REVIEWS IN ONCOLOGY HEMATOLOGY LA English DT Review DE Disseminated tumor cells; Circulating tumor cells; Enrichment; Detection; Characterization ID POLYMERASE-CHAIN-REACTION; FIELD-FLOW-FRACTIONATION; DETERMINISTIC LATERAL DISPLACEMENT; HER2-POSITIVE BREAST-CANCER; CYTOKERATIN-POSITIVE CELLS; PLUS ZOLEDRONIC ACID; BONE-MARROW; PERIPHERAL-BLOOD; REVERSE-TRANSCRIPTASE; ADJUVANT CHEMOTHERAPY AB Dissemination of tumor cells from primary tumors in the circulatory system is an early event in carcinogenesis. The presence of these single disseminated tumor cells (DTC) in peripheral blood, bone marrow and distant organs is the rationale for adjuvant systemic treatment. Detection of DTC in bone marrow aspirates from breast cancer patients and other solid tumors at the primary diagnosis impacts the prognosis of disease. In peripheral blood these cells are termed as circulating tumor cells (CTC). Due to technical difficulties the clinical significance of CTC detection at early stages is less established. This review focuses on available techniques for detection of DTC and CTC, recent technical advances in development of more sensitive microfluidic methods for capture of DTC and CTC and possibilities for further detection and their potential molecular characterization. Not only the clinical significance of DTC but also the presence of cancer stem cells in dissemination clearly demonstrates the need for development of sensitive technologies allowing for definition of biomarkers and molecular targets on cells in dissemination, thus eventually leading to optimization of systemic therapies. (C) 2010 Published by Elsevier Ireland Ltd. C1 [Datar, Ram; Cote, Richard J.] Univ Miami, Miller Sch Med, Dept Pathol, Miami, FL 33136 USA. [Lin, Henry] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Balic, Marija] Med Univ Graz, Div Oncol, Dept Internal Med, A-8036 Graz, Austria. [Zheng, Siyang] Penn State Univ, Dept Bioengn, University Pk, PA 16802 USA. RP Cote, RJ (reprint author), Univ Miami, Miller Sch Med, Dept Pathol, 1611 NW 12th Ave, Miami, FL 33136 USA. EM rcote@med.miami.edu RI Zhou, Feng/E-9510-2011 NR 88 TC 43 Z9 46 U1 3 U2 30 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1040-8428 J9 CRIT REV ONCOL HEMAT JI Crit. Rev. Oncol./Hematol. PD JAN PY 2011 VL 77 IS 1 BP 2 EP 12 DI 10.1016/j.critrevonc.2010.04.008 PG 11 WC Oncology; Hematology SC Oncology; Hematology GA 717QV UT WOS:000287063400002 PM 20570170 ER PT J AU Ye, X Busov, V Zhao, N Meilan, R McDonnell, LM Coleman, HD Mansfield, SD Chen, F Li, Y Cheng, ZM AF Ye, Xia Busov, Victor Zhao, Nan Meilan, Rick McDonnell, Lisa M. Coleman, Heather D. Mansfield, Shawn D. Chen, Feng Li, Yi Cheng, (Max) Zong-Ming TI Transgenic Populus Trees for Forest Products, Bioenergy, and Functional Genomics SO CRITICAL REVIEWS IN PLANT SCIENCES LA English DT Review DE Bioenergy; biotechnology; forestry; Functional genomics; Populus ID AGROBACTERIUM-MEDIATED TRANSFORMATION; CYTOSOLIC GLUTAMINE-SYNTHETASE; O-METHYLTRANSFERASE ACTIVITY; COTTONWOOD LEAF BEETLE; CINNAMYL ALCOHOL-DEHYDROGENASE; CHRYSOMELA-SCRIPTA COLEOPTERA; HYBRID POPLAR; ARABIDOPSIS-THALIANA; BACILLUS-THURINGIENSIS; HERBICIDE-RESISTANCE AB Species within the genus Populus are among the fastest growing trees in regions with a temperate climate. Not only are they an integral component of ecosystems, but they are also grown commercially for fuel, fiber, and forest products in rural areas of the world. In the late 1970s, they were designated as a bioenergy crop by the U. S. Department of Energy, as a result of research following the oil embargo. Populus species also serve as model trees for plant molecular biology research. In this article, we will review recent progress in the genetic improvement of Populus, considering both classical breeding and genetic engineering for bioenergy, as well as in using transgenics to elucidate gene functionality. A perspective for future improvement of Populus via functional genomics will also be presented. C1 [Ye, Xia; Zhao, Nan; Chen, Feng; Cheng, (Max) Zong-Ming] Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA. [Ye, Xia] Henan Agr Univ, Coll Hort, Zhengzhou, Henan, Peoples R China. [Busov, Victor] Michigan Technol Univ, Sch Forest Resources & Environm Sci, Houghton, MI 49931 USA. [Meilan, Rick] Purdue Univ, Dept Forestry & Nat Resources, W Lafayette, IN 47907 USA. [McDonnell, Lisa M.; Coleman, Heather D.; Mansfield, Shawn D.] Univ British Columbia, Dept Wood Sci, Vancouver, BC V6T 1Z4, Canada. [Li, Yi] Univ Connecticut, Dept Plant Sci, Storrs, CT 06269 USA. [Cheng, (Max) Zong-Ming] Oak Ridge Natl Lab, Bioenergy Sci Ctr, Oak Ridge, TN 37831 USA. RP Cheng, ZM (reprint author), Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA. EM zcheng@utk.edu OI Coleman, Heather/0000-0002-4923-601X; Cheng, Zong-Ming/0000-0002-1811-591X FU Consortium for Plant Biotechnology Research, Inc.; BioEnergy Science Center; Office of Biological and Environmental Research in the DOE Office of Science; Tennessee Agricultural Experiment Station FX We would like to thank two anonymous reviewers for their helpful comments on this manuscript. We also apologize for being unable to cite other important research papers but, alas, we were constrained by space. The research in Cheng's lab has been supported by the Consortium for Plant Biotechnology Research, Inc., the BioEnergy Science Center, which is a U. S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science, and by Tennessee Agricultural Experiment Station. NR 191 TC 23 Z9 23 U1 4 U2 61 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0735-2689 J9 CRIT REV PLANT SCI JI Crit. Rev. Plant Sci. PY 2011 VL 30 IS 5 BP 415 EP 434 DI 10.1080/07352689.2011.605737 PG 20 WC Plant Sciences SC Plant Sciences GA 865PR UT WOS:000298323300001 ER PT J AU Jakubowski, AR Jackson, RD Johnson, RC Hu, JG Casler, MD AF Jakubowski, Andrew R. Jackson, Randall D. Johnson, R. C. Hu, Jinguo Casler, Michael D. TI Genetic diversity and population structure of Eurasian populations of reed canarygrass: cytotypes, cultivars, and interspecific hybrids SO CROP & PASTURE SCIENCE LA English DT Article DE germplasm; Phalaris spp.; plant genetic resources; plant breeding; ploidy; population genetics ID GRASS PHALARIS-ARUNDINACEA; CHLOROPLAST DNA; INVASIVE GRASS; PLANTS; L.; COLONIZATION; POLYPLOIDY; RESOURCES; TUBEROSA; WETLANDS AB Reed canarygrass (Phalaris arundinacea L.) is an important forage crop and potential biofuel feedstock due to its wide environmental adaptation. The P. arundinacea 'species complex' is made up of three cytotypes, 2x, 4x, and 6x, with the 4x cytotype (P. arundinacea L.) most common. Active breeding programs have developed cultivars since the early 20th Century, but little is known about the genetics of the species complex. With the aid of DNA markers, we evaluated the population structure of 83 wild accessions collected throughout Eurasia, 24 cultivars, and the genetic relationship between 4x and 6x cytotypes. Seven subpopulations were present in Europe with a high level of admixture, suggesting that reed canarygrass germplasm has spread throughout Eurasia, either naturally or by humans for use in agriculture. Our results indicate that cultivars have incorporated much of the diversity found in wild populations, although modern low-alkaloid cultivars appear to come from a relatively small gene pool. We also found some evidence that the 6x cytotype is made up of three sub-genomes that are a combination of genomes present in 4x P. arundinacea and 4x P. aquatica, although the 6x cytotype does not appear to be a direct hybrid between the species. C1 [Jakubowski, Andrew R.; Jackson, Randall D.] Univ Wisconsin, Dept Agron, Madison, WI 53706 USA. [Jackson, Randall D.; Casler, Michael D.] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. [Johnson, R. C.; Hu, Jinguo] Washington State Univ, USDA ARS, Western Reg Plant Intro Stn, Pullman, WA 99164 USA. [Casler, Michael D.] USDA ARS, US Dairy Forage Res Ctr, Madison, WI 53706 USA. RP Jakubowski, AR (reprint author), Univ Wisconsin, Dept Agron, 1575 Linden Dr, Madison, WI 53706 USA. EM Jakubowski@wisc.edu FU Grazing Lands Conservation Initiative [941-3]; DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER) [DE-FC02-07ER64494]; USDA-ARS FX This work was funded in part by Grazing Lands Conservation Initiative grant 941-3, the DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER DE-FC02-07ER64494), and by USDA-ARS funds. We are grateful to USDA National Plant Germplasm System, Aberystwyth University, the Nordic Gene Bank, the Plant Breeding and Acclimatisation Institute, and Institute for Genetics and Plant Crop Research for access to germplasm. NR 53 TC 4 Z9 4 U1 1 U2 24 PU CSIRO PUBLISHING PI COLLINGWOOD PA 150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA SN 1836-0947 J9 CROP PASTURE SCI JI Crop Pasture Sci. PY 2011 VL 62 IS 11 BP 982 EP 991 DI 10.1071/CP11232 PG 10 WC Agriculture, Multidisciplinary SC Agriculture GA 865SX UT WOS:000298331700006 ER PT J AU Mernild, SH Knudsen, NT Lipscomb, WH Yde, JC Malmros, JK Hasholt, B Jakobsen, BH AF Mernild, S. H. Knudsen, N. T. Lipscomb, W. H. Yde, J. C. Malmros, J. K. Hasholt, B. Jakobsen, B. H. TI Increasing mass loss from Greenland's Mittivakkat Gletscher SO CRYOSPHERE LA English DT Article ID SEA-LEVEL RISE; SOUTHEAST GREENLAND; ICE-SHEET; AMMASSALIK ISLAND; BALANCE OBSERVATIONS; GLACIER AREA; RUNOFF; PERSPECTIVE AB Warming in the Arctic during the past several decades has caused glaciers to thin and retreat, and recent mass loss from the Greenland Ice Sheet is well documented. Local glaciers peripheral to the ice sheet are also retreating, but few mass-balance observations are available to quantify that retreat and determine the extent to which these glaciers are out of equilibrium with present-day climate. Here, we document record mass loss in 2009/10 for the Mittivakkat Gletscher (henceforth MG), the only local glacier in Greenland for which there exist long-term observations of both the surface mass balance and glacier front fluctuations. We attribute this mass loss primarily to record high mean summer (June-August) temperatures in combination with lower-than-average winter precipitation. Also, we use the 15-yr mass-balance record to estimate present-day and equilibrium accumulation-area ratios for the MG. We show that the glacier is significantly out of balance and will likely lose at least 70% of its current area and 80% of its volume even in the absence of further climate changes. Temperature records from coastal stations in Southeast Greenland suggest that recent MG mass losses are not merely a local phenomenon, but are indicative of glacier changes in the broader region. Mass-balance observations for the MG therefore provide unique documentation of the general retreat of Southeast Greenland's local glaciers under ongoing climate warming. C1 [Mernild, S. H.; Lipscomb, W. H.] Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, Los Alamos, NM 87545 USA. [Knudsen, N. T.] Aarhus Univ, Dept Geol, DK-8000 Aarhus, Denmark. [Yde, J. C.] Aarhus Univ, Ctr Geomicrobiol, DK-8000 Aarhus, Denmark. [Yde, J. C.] Sognog Fjordane Univ Coll, N-6851 Sogndal, Norway. [Malmros, J. K.; Hasholt, B.; Jakobsen, B. H.] Univ Copenhagen, Dept Geog & Geol, DK-1350 Copenhagen, Denmark. RP Mernild, SH (reprint author), Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, POB 1663, Los Alamos, NM 87545 USA. EM mernild@lanl.gov RI Knudsen, Niels Tvis/A-2461-2014; OI Yde, Jacob Clement/0000-0002-6211-2601 FU US Department of Energy's Office of Science; Los Alamos National Laboratory (LANL); LANL Institute for Geophysics and Planetary Physics; National Nuclear Security Administration of the US Department of Energy [DE-AC52-06NA25396]; Danish Research Council; Department of Earth Sciences, University of Aarhus FX We thank Mauri Pelto, Xavier Fettweis, and two anonymous reviewers for their insightful critiques. This work was supported by grants from the Climate Change Prediction Program and Scientific Discovery for Advanced Computing (SciDAC) program within the US Department of Energy's Office of Science, by a Los Alamos National Laboratory (LANL) Director's Fellowship, and by a fellowship from the LANL Institute for Geophysics and Planetary Physics. LANL is operated under the auspices of the National Nuclear Security Administration of the US Department of Energy under Contract No. DE-AC52-06NA25396. Field work was supported by grants from the Danish Research Council under the frame program on climate and Arctic landscape processes carried out at the Institute of Geography and Geology, Copenhagen University, and by the Department of Earth Sciences, University of Aarhus. We thank David Bahr, Matthew Hecht, and Wilbert Weijer for helpful comments. Thanks are given to the Danish Meteorological Institute for providing WMO synoptic meteorological data from the East Greenland stations. NR 33 TC 26 Z9 26 U1 1 U2 10 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1994-0416 J9 CRYOSPHERE JI Cryosphere PY 2011 VL 5 IS 2 BP 341 EP 348 DI 10.5194/tc-5-341-2011 PG 8 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA 785QB UT WOS:000292242500003 ER PT J AU Hunke, EC Notz, D Turner, AK Vancoppenolle, M AF Hunke, E. C. Notz, D. Turner, A. K. Vancoppenolle, M. TI The multiphase physics of sea ice: a review for model developers SO CRYOSPHERE LA English DT Article ID LIQUID-PHASE CHANGE; ANTARCTIC PACK-ICE; MUSHY LAYERS; DIRECTIONAL SOLIDIFICATION; SALINITY PROFILE; WEDDELL SEA; THERMODYNAMIC MODEL; NATURAL-CONVECTION; FLUID TRANSPORT; FINITE-ELEMENT AB Rather than being solid throughout, sea ice contains liquid brine inclusions, solid salts, microalgae, trace elements, gases, and other impurities which all exist in the interstices of a porous, solid ice matrix. This multiphase structure of sea ice arises from the fact that the salt that exists in seawater cannot be incorporated into lattice sites in the pure ice component of sea ice, but remains in liquid solution. Depending on the ice permeability (determined by temperature, salinity and gas content), this brine can drain from the ice, taking other sea ice constituents with it. Thus, sea ice salinity and microstructure are tightly interconnected and play a significant role in polar ecosystems and climate. As large-scale climate modeling efforts move toward "earth system" simulations that include biological and chemical cycles, renewed interest in the multiphase physics of sea ice has strengthened research initiatives to observe, understand and model this complex system. This review article provides an overview of these efforts, highlighting known difficulties and requisite observations for further progress in the field. We focus on mushy layer theory, which describes general multiphase materials, and on numerical approaches now being explored to model the multiphase evolution of sea ice and its interaction with chemical, biological and climate systems. C1 [Hunke, E. C.; Turner, A. K.] Los Alamos Natl Lab, Los Alamos, NM USA. [Notz, D.] Max Planck Inst Meteorol, Hamburg, Germany. [Vancoppenolle, M.] Catholic Univ Louvain, Georges Lemaitre Ctr Earth & Climate Res, B-1348 Louvain, Belgium. RP Hunke, EC (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. EM eclare@lanl.gov RI Vancoppenolle, Martin/B-3750-2011 OI Vancoppenolle, Martin/0000-0002-7573-8582 FU Biological and Environmental Research division of the U.S. Department of Energy (DOE) Office of Science; DOE [DE-AC52-06NA25396]; Belgian FNRS; Max-Planck-Society FX We thank Hajo Eicken for suggesting this review and for enlightening discussions on the topic. Scott Elliott kindly read and commented on the manuscript also, for which we are grateful. We further thank S. Ackley and an anonymous reviewer for their careful reading and constructive comments. Hunke and Turner acknowledge funding from the Biological and Environmental Research division of the U.S. Department of Energy (DOE) Office of Science; Los Alamos National Laboratory is operated by the National Nuclear Security Administration of the DOE under Contract No. DE-AC52-06NA25396. Vancoppenolle is funded by Belgian FNRS, and Notz acknowledges funding through the Max-Planck-Society. This review paper resulted from the workshop "The Multi-Phase Physics of Sea Ice: Growth, Desalination and Transport Processes" held 8-10 September 2010 in Santa Fe, New Mexico, and funded through the DOE Office of Science project "Improving the Characterization of Clouds, Aerosols and the Cryosphere in Climate Models." NR 155 TC 32 Z9 36 U1 0 U2 34 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1994-0416 EI 1994-0424 J9 CRYOSPHERE JI Cryosphere PY 2011 VL 5 IS 4 BP 989 EP 1009 DI 10.5194/tc-5-989-2011 PG 21 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA 867ZV UT WOS:000298494200013 ER PT J AU Mossaad, C Tan, MC Starr, M Payzant, EA Howe, JY Riman, RE AF Mossaad, Christina Tan, Mei-Chee Starr, Matthew Payzant, E. Andrew Howe, Jane Y. Riman, Richard E. TI Size-Dependent Crystalline to Amorphous Uphill Phase Transformation of Hydroxyapatite Nanoparticles SO CRYSTAL GROWTH & DESIGN LA English DT Article ID CALCIUM HYDROXYAPATITE; HYDROTHERMAL SYNTHESIS; SURFACE-AREA; PARTICLES; BIOMATERIALS; SCAFFOLDS; CLUSTERS; ENERGY; WEAR AB The room temperature Ca(C(2)H(3)O(2))(2)-K(3)PO(4)-H(2)O equilibrium system was examined for the preparation of hydroxyapatite nanopowder with sizes less than 10 nm. The reaction products were characterized with X-ray diffraction, transmission electron microscopy (TEM), nitrogen-adsorption surface area, helium pycnometry, thermogravimetric analysis, and Karl Fisher titration methods. TEM revealed that similar to 5 nm nanopowders could be successfully prepared with this synthesis approach. However, the vast instability of these powders brought upon by the method of sample separation or the characterization method itself made it impossible to use other conventional methods of characterization to validate TEM data. This study has identified key processing steps that control the order and disorder of these nanomaterials, as well as the conditions that lead to surface area reduction. The most unique phenomenon from this work is the observed crystalline to amorphous phase transformation when washed or unwashed nanopowders are aged for 5 months in 30% relative humidity. This transformation, the first of its kind to be reported in the literature, is accompanied by a surface area loss by a factor of 3 or greater. The uphill phase transformation from the nanocrystalline to amorphous state appears to be driven by the reduction of the large positive surface energy inherent in the as-crystallized similar to 5nm nanopowder. C1 [Mossaad, Christina; Tan, Mei-Chee; Starr, Matthew; Riman, Richard E.] Rutgers State Univ, Dept Mat Sci & Engn, Piscataway, NJ 08854 USA. [Payzant, E. Andrew; Howe, Jane Y.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Riman, RE (reprint author), Rutgers State Univ, Dept Mat Sci & Engn, 607 Taylor Rd, Piscataway, NJ 08854 USA. RI Payzant, Edward/B-5449-2009; Howe, Jane/G-2890-2011; Starr, Matthew/C-1169-2015; OI Payzant, Edward/0000-0002-3447-2060; Starr, Matthew/0000-0002-8629-5940 FU Defense Advanced Research Projects Agency [ONR-N00014-08-1-0131]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; Division of Scientific User Facilities, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy FX The authors would like to thank Dr. Peng Li and Dr. Valentin Starovoytov for their help with the electron microscopy, Professor William Mayo with helpful advice on X-ray diffraction, the Rutgers-NSF IGERT DGE 0333196, NASA GSRP NNG04GO44H. M.C.T. and R.E.R. acknowledge the Defense Advanced Research Projects Agency (ONR-N00014-08-1-0131) for funding support. A portion of this research conducted at Oak Ridge National Laboratory's Center for Nanophase Materials Sciences was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. Research at the ORNL SHaRE User Facility was supported by the Division of Scientific User Facilities, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy. NR 37 TC 6 Z9 6 U1 0 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD JAN PY 2011 VL 11 IS 1 BP 45 EP 52 DI 10.1021/cg9015146 PG 8 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA 700JO UT WOS:000285735100010 ER PT J AU Fang, HS Yan, ZW Bourret-Courchesne, ED AF Fang, H. S. Yan, Z. W. Bourret-Courchesne, E. D. TI Numerical Study of the Micro-Pulling-Down Process for Sapphire Fiber Crystal Growth SO CRYSTAL GROWTH & DESIGN LA English DT Article ID HEAT-TRANSFER; INTERNAL RADIATION; SIMULATION; CONVECTION; MENISCUS; GAAS AB Numerical simulation is conducted to study the micro-pulling-down process for the growth of sapphire fiber crystal. Using the CrysMAS package, the fundamental equations for heat transfer, fluid flow, the melt/crystal interface, and the electromagnetic field are solved simultaneously to address the characteristics of the growth system. We found that, in the melt, Marangoni convection is dominant, and the buoyancy convection is negligible. Gas convection is strong, due to the large temperature difference in various parts of the furnace. Heat transfer around the crucible region is dominated by radiation due to the high temperature. The results also show a hot spot near the top of the crucible, and a ring design is further proposed to obtain a uniform temperature field in the crucible. The predicted melt/crystal interface has a convex shape protruding into the melt, which is consistent with the experimental observation. The simulated temperature distribution on the surface of the crucible cone is in good agreement with experimental measurements. The three-dimensional effect of the observation windows is also studied. The results show that using three observation windows on the afterheater is helpful to achieve more symmetrical temperature fields. The effects of furnace elements including the RF coil, crucible, afterheater, and insulation on the axial temperature gradient at the solid and liquid (S/L) interface are further investigated. The results provide important information to improve the growth procedure of a single crystal using the micro-pulling-down method. C1 [Fang, H. S.; Yan, Z. W.; Bourret-Courchesne, E. D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Bourret-Courchesne, ED (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM EDBourret@lbl.gov FU U.S. Department of Energy/NNSA/NA22; Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX This work was supported by the U.S. Department of Energy/NNSA/NA22 and was carried out at Lawrence Berkeley National Laboratory under Contract No. DE-AC02-05CH11231. NR 27 TC 16 Z9 16 U1 2 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD JAN PY 2011 VL 11 IS 1 BP 121 EP 129 DI 10.1021/cg101021t PG 9 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA 700JO UT WOS:000285735100019 ER PT J AU Wang, YN Dai, QQ Yang, XY Zou, B Li, DM Liu, BB Hu, MZ Zou, GT AF Wang, Yingnan Dai, Quanqin Yang, Xinyi Zou, Bo Li, Dongmei Liu, Bingbing Hu, Michael Z. Zou, Guangtian TI A facile approach to PbS nanoflowers and their shape-tunable single crystal hollow nanostructures: Morphology evolution SO CRYSTENGCOMM LA English DT Article ID QUANTUM DOTS; NANOCRYSTALS; NANOSCALE; SPHERES; FABRICATION; ROUTE; PHOTOVOLTAICS; NANOPARTICLES; NANOSPHERES; NANOWIRES AB In this work, we presented a facile approach for the preparation of three-dimensional PbS nanoflowers, which was attributed to the coexistence of two types of amines with different-length alkyl chains and different steric hindrance. These monodisperse PbS nanoflowers showed small particle sizes (similar to 35 nm) and narrow size distribution (delta approximate to 9%). On the basis of these nanoflowers, we obtained a series of single-crystal hollow PbS nanostructures with tunable morphologies (including sphere, cuboctahedron, cube, and tube/rod) through elevating reaction temperature and prolonging growth time. It was further followed by a detailed discussion of the mechanism of morphology evolution, where the recrystallization and intraparticle ripening made contributions. C1 [Wang, Yingnan; Dai, Quanqin; Yang, Xinyi; Zou, Bo; Li, Dongmei; Liu, Bingbing; Zou, Guangtian] Jilin Univ, State Key Lab Superhard Mat, Changchun 130012, Peoples R China. [Dai, Quanqin; Hu, Michael Z.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Zou, B (reprint author), Jilin Univ, State Key Lab Superhard Mat, Changchun 130012, Peoples R China. EM zoubo@jlu.edu.cn RI Zou, Guangtian /A-1036-2011; Zou, Bo/C-6926-2008; OI Zou, Bo/0000-0002-3215-1255; Hu, Michael/0000-0001-8461-9684 FU NSFC [20773043, 10979001]; National Basic Research Program of China [2005CB724400, 2007CB808000]; Oak Ridge National Laboratory; US Department of Energy FX This work is supported by NSFC (nos. 20773043 and 10979001), the National Basic Research Program of China (nos. 2005CB724400 and 2007CB808000), the LDRD program at the Oak Ridge National Laboratory and the Nanomanufacturing project, Industrial Technology Program of the US Department of Energy. NR 46 TC 20 Z9 20 U1 1 U2 26 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1466-8033 J9 CRYSTENGCOMM JI Crystengcomm PY 2011 VL 13 IS 1 BP 199 EP 203 DI 10.1039/c004459h PG 5 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 691GF UT WOS:000285067600034 ER PT J AU Malaestean, IL Speldrich, M Ellern, A Baca, SG Kogerler, P AF Malaestean, Iurii L. Speldrich, Manfred Ellern, Arkady Baca, Svetlana G. Koegerler, Paul TI Heterometal expansion of oxozirconium carboxylate clusters SO DALTON TRANSACTIONS LA English DT Article ID MOLECULAR SPINTRONICS; BUILDING-BLOCKS; SYSTEMS; ZR6O4(OH)(4)(OOCR)(12); MAGNETS; CORE AB Although representing a 'thermodynamic sink', the octahedral oxozirconium {Zr(6)O(4)(OH)(4)} cluster structure can be magnetically functionalized by up to six 3d metal cations with a combination of flexible aminoalkoxide and carboxylate ligands. C1 [Malaestean, Iurii L.; Speldrich, Manfred; Koegerler, Paul] Rhein Westfal TH Aachen, Inst Anorgan Chem, D-52074 Aachen, Germany. [Ellern, Arkady; Koegerler, Paul] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Baca, Svetlana G.] ASM, Inst Chem, Kishinev 2028, Moldova. RP Kogerler, P (reprint author), Rhein Westfal TH Aachen, Inst Anorgan Chem, Landoltweg 1, D-52074 Aachen, Germany. EM paul.koegerler@ac.rwth-aachen.de RI Baca, Svetlana/J-9336-2012; Kogerler, Paul/H-5866-2013; Speldrich, Manfred/P-3615-2016 OI Baca, Svetlana/0000-0002-2121-2091; Kogerler, Paul/0000-0001-7831-3953; Speldrich, Manfred/0000-0002-8626-6410 FU Excellence Initiative of the German federal and state government; U.S. Department of Energy [DE-AC02-07CH11358] FX Funded by the Excellence Initiative of the German federal and state government. We thank Yutian Wang for help with crystallographic data set collection for compounds 1 and 4. Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. NR 23 TC 17 Z9 17 U1 1 U2 14 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 2 BP 331 EP 333 DI 10.1039/c0dt01136c PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 696CQ UT WOS:000285419900002 PM 21103591 ER PT J AU Rao, LF Tian, GX AF Rao, Linfeng Tian, Guoxin TI The effect of temperature on the complexation of Cm(III) with nitrate in aqueous solutions SO DALTON TRANSACTIONS LA English DT Article ID LASER FLUORESCENCE SPECTROSCOPY; TRIVALENT LANTHANIDE; ACTINIDE IONS; THERMODYNAMICS; CONSTANTS; HYDRATION; CHLORIDE; MODES AB The complexation of curium(III) with nitrate was studied at different temperatures (10-85 degrees C) by luminescence spectroscopy. The stability constants of CmNO(3)(2+) were calculated from the luminescence emission spectra. The specific ion interaction approach (SIT) was used to obtain the stability constants of CmNO(3)(2+) at infinite dilution and variable temperatures. The complexation is weak and little effect of temperature on the complexation was observed over the temperature range 10-85 degrees C. Data on the luminescence lifetime indicate that each nitrate ligand replaces two water molecules from the inner coordination sphere of Cm(3+), forming a bidentate inner-sphere complex with Cm(3+) in aqueous solutions. C1 [Rao, Linfeng; Tian, Guoxin] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Rao, LF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM LRao@lbl.gov FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences; Office of Nuclear Energy; Fuel Research and Development Program [DE-AC02-05CH11231] FX This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, and the Office of Nuclear Energy, the Fuel Research and Development Program under Contract no. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory. The authors are indebted for the use of curium to the Office of Basic Energy Sciences through the transplutonium element production facilities at the Oak Ridge National Laboratory. NR 19 TC 7 Z9 7 U1 1 U2 14 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 4 BP 914 EP 918 DI 10.1039/c0dt01160f PG 5 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 705EI UT WOS:000286111300019 PM 21135933 ER PT J AU Winkler, B Haussuhl, E Bauer, JD Schroder, F Refson, K Milman, V Hennion, B Bossak, A Krisch, M AF Winkler, B. Haussuehl, E. Bauer, J. D. Schroeder, F. Refson, K. Milman, V. Hennion, B. Bossak, A. Krisch, M. TI Influence of deuteration on lithium acetate dihydrate studied by inelastic X-ray scattering, density functional theory, thermal expansion, elastic and thermodynamic measurements SO DALTON TRANSACTIONS LA English DT Article ID COUPLED METHYL-GROUPS; NEUTRON-SCATTERING; CRYSTAL-STRUCTURE; LATTICE-DYNAMICS; CONSTANTS AB The influence of deuteration on the properties of lithium acetate dihydrate has been investigated by thermal expansion measurements, ultrasound spectroscopy and calorimetry. Inelastic X-ray scattering has been employed to investigate if the low temperature structural phase transition can be detected by a change in the vibrational spectrum. Density functional theory, DFT, calculations have been employed to complement the experimental investigations. The thermal expansion coefficients and the specific heat of the deuterated compound differ significantly from the protonated form. The differences in the elastic stiffness coefficients are just above the detection limit of the technique employed here. Temperature dependent inelastic X-ray spectroscopic measurements show no significant change of the vibrational spectrum when crossing the transition temperature. The DFT calculations show that the methyl group dynamics are best described in the framework of coupled rotators of opposing methyl groups. One of the coupled rotational modes corresponds to a hindered rotator with a barrier of 15 meV, while the other is a free rotator. C1 [Winkler, B.; Haussuehl, E.; Bauer, J. D.; Schroeder, F.] Goethe Univ Frankfurt, Inst Geowissensch, Abt Kristallog, D-60438 Frankfurt, Germany. [Winkler, B.] Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. [Refson, K.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Milman, V.] Accelrys, Cambridge CB4 0WN, England. [Hennion, B.] CEN Saclay, Lab Leon Brillouin, Gif Sur Yvette, France. [Bossak, A.; Krisch, M.] European Synchrotron Radiat Facil, F-38043 Grenoble, France. RP Winkler, B (reprint author), Goethe Univ Frankfurt, Inst Geowissensch, Abt Kristallog, Altenhoferallee 1, D-60438 Frankfurt, Germany. EM b.winkler@kristall.uni-frankfurt.de RI Schroder, Florian/D-5872-2012; Refson, Keith/G-1407-2013; BOSAK, Alexei/J-7895-2013; Milman, Victor/M-6117-2015; OI Milman, Victor/0000-0003-2258-1347; Refson, Keith/0000-0002-8715-5835 FU German Science Foundation [Wi 1232/30, HA 5137/1] FX We are grateful for financial support from the German Science Foundation (Wi 1232/30 and HA 5137/1). CASTEP calculations were performed at the STFC E-Science facility. NR 28 TC 2 Z9 2 U1 2 U2 12 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 8 BP 1737 EP 1742 DI 10.1039/c0dt01302a PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 719WI UT WOS:000287241800015 PM 21258673 ER PT J AU Wada, T Muckerman, JT Fujita, E Tanaka, K AF Wada, Tohru Muckerman, James T. Fujita, Etsuko Tanaka, Koji TI Substituents dependent capability of bis(ruthenium-dioxolene-terpyridine) complexes toward water oxidation SO DALTON TRANSACTIONS LA English DT Article AB The bridging ligand, 1,8-bis(2,2':6',2 ''-terpyrid-4'-yl)anthracene (btpyan) was synthesized by the Miyaura-Suzuki cross coupling reaction of anthracenyl-1,8-diboronic acid and 4'-triflyl-2,2': 6'-2 ''-terpyridine in the presence of Pd(PPh(3))(4) (5 mol%) with 68% in yield. Three ruthenium-dioxolene dimers, [Ru(2)(OH)(2)(dioxolene)(2)(btpyan)](0) (dioxolene = 3,6-di-tert-butyl-1,2-benzosemiquinone ([1](0)), 3,5-dichloro-1,2-benzosemiquinone ([2](0)) and 4-nitro-1,2-benzosemiquinone ([3](0))) were prepared by the reaction of [Ru(2)Cl(6)(btpyan)](0) with the corresponding catechol. The electronic structure of [1](0) is approximated by [Ru(2)(II)(OH)(2)(sq)(2)(btpyan)](0) (sq = semiquinonato). On the other hand, the electronic states of [2](0) and [3](0) are close to [Ru(2)(III)(OH)(2) (cat)(2)(btpyan)](0) (cat = catecholato), indicating that a dioxolene having electron-withdrawing groups stabilizes [Ru(2)(III)(OH)(2)(cat)(2)(btpyan)](0) rather than [Ru(2)(II)(OH)(2)(sq)(2)(btpyan)](0) as resonance isomers. No sign was found of deprotonation of the hydroxo groups of [1](0), whereas [2](0) and [3](0) showed an acid-base equilibrium in treatments with t-BuOLi followed by HClO(4). Furthermore, controlled potential electrolysis of [1](0) deposited on an ITO (indium-tin oxide) electrode catalyzed the four-electron oxidation of H(2)O to evolve O(2) at potentials more positive than +1.6 V (vs. SCE) at pH 4.0. On the other hand, the electrolysis of [2](0) and [3](0) deposited on ITO electrodes did not show catalytic activity for water oxidation under similar conditions. Such a difference in the reactivity among [1](0), [2](0) and [3](0) is ascribed to the shift of the resonance equilibrium between [Ru(2)(II)(OH)(2)(sq)(2)(btpyan)](0) and [Ru(2)(III)(OH)(2)(cat)(2)(btpyan)](0). C1 [Wada, Tohru] Rikkyo Univ, Coll Sci, Dept Chem, Toshima Ku, Tokyo 1718501, Japan. [Muckerman, James T.; Fujita, Etsuko] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Tanaka, Koji] Inst Mol Sci, Dept Life & Coordinat Mol Sci, Aichi 4440843, Japan. RP Wada, T (reprint author), Rikkyo Univ, Coll Sci, Dept Chem, Toshima Ku, 3-34-1 Nishi Ikebukuro, Tokyo 1718501, Japan. EM twada@rikkyo.ac.jp; ktanaka@ims.ac.jp RI Fujita, Etsuko/D-8814-2013; Muckerman, James/D-8752-2013 FU Ministry of Education, Culture, Sports, Science and Technology of Japan [20002005]; U.S. Department of Energy and supported by its Division of Chemical Sciences, Geosciences, & Biosciences, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX This work was supported by a Grant in Aid for Scientific Research (No. 20002005) from the Ministry of Education, Culture, Sports, Science and Technology of Japan. The work at Brookhaven National Laboratory is funded under contract DE-AC02-98CH10886 with the U.S. Department of Energy and supported by its Division of Chemical Sciences, Geosciences, & Biosciences, Office of Basic Energy Sciences. NR 61 TC 21 Z9 21 U1 1 U2 18 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 10 BP 2225 EP 2233 DI 10.1039/c0dt00977f PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 725RY UT WOS:000287665000022 PM 21183977 ER PT J AU Bonnet, S van Lenthe, JH van Dam, HJJ van Koten, G Gebbink, RJMK AF Bonnet, Sylvestre van Lenthe, Joop H. van Dam, Hubertus J. J. van Koten, Gerard Gebbink, Robertus J. M. Klein TI SO2-binding properties of cationic eta(6),eta(1)-NCN-pincer arene ruthenium platinum complexes: spectroscopic and theoretical studies SO DALTON TRANSACTIONS LA English DT Article ID GAS-TRIGGERED SWITCHES; SULFUR-DIOXIDE; REVERSIBLE BINDING; ORGANOMETALLIC COMPLEXES; PALLADIUM COMPLEXES; METAL-COMPLEXES; SO2; BONDS; ARYLPLATINUM(II); IRIDIUM(III) AB The SO2-binding properties of a series of eta(6),eta(1)-NCN-pincer ruthenium platinum complexes (NCN = 2,6-bis[(dimethylamino) methyl] phenyl anion) have been studied by both UV-visible spectroscopy and theoretical calculations. When an electron-withdrawing [Ru(C5R5)](+) fragment (R = H or Me) is eta(6)-coordinated to the phenyl ring of the NCN-pincer platinum fragment (cf. [2](+) and [3](+), see Scheme 1), the characteristic orange coloration (pointing to eta(1)-SO2 binding to Pt) of a solution of the parent NCN-pincer platinum complex 1 in dichloromethane upon SO2-bubbling is not observed. However, when the ruthenium center is eta(6)-coordinated to a phenyl substituent linked in para-position to the carbon-to-platinum bond, i.e. complex [4](+), the SO2-binding property of the NCN-platinum center seems to be retained, as bubbling SO2 into a solution of the latter complex produces the characteristic orange color. We performed theoretical calculations at the MP2 level of approximation and TD-DFT studies, which enabled us to interpret the absence of color change in the case of [2](+) as an absence of coordination of SO2 to platinum. We analyze this absence or weaker SO2-coordination in dichloromethane to be a consequence of the relative electron-poorness of the platinum center in the respective eta(6)-ruthenium coordinated NCN-pincer platinum complexes, that leads to a lower binding energy and an elongated calculated Pt-S bond distance. We also discuss the effects of electrostatic interactions in these cationic systems, which also seems to play a destabilizing role for complex [2(SO2)](+). C1 [van Lenthe, Joop H.; Gebbink, Robertus J. M. Klein] Univ Utrecht, Debye Inst Nanomat Sci, Fac Sci, Theoret Chem Grp, NL-3584 CH Utrecht, Netherlands. [Bonnet, Sylvestre] Leiden Univ, Leiden Inst Chem, Gorlaeus Labs, NL-2300 RA Leiden, Netherlands. [van Dam, Hubertus J. J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Gebbink, RJMK (reprint author), Univ Utrecht, Debye Inst Nanomat Sci, Fac Sci, Theoret Chem Grp, Padualaan 8, NL-3584 CH Utrecht, Netherlands. RI Klein Gebbink, Robertus/F-4402-2010; Bonnet, Sylvestre/C-9944-2010; Institute (DINS), Debye/G-7730-2014 OI Klein Gebbink, Robertus/0000-0002-0175-8302; Bonnet, Sylvestre/0000-0002-5810-3657; FU Utrecht University; NRSC; Stichting Nationale Computerfaciliteiten (National Computing Facilities Foundation in The Netherlands, NCF) FX We gratefully acknowledge the support of this research by Utrecht University and the NRSC-Catalysis program. This work was supported in part by the Stichting Nationale Computerfaciliteiten (National Computing Facilities Foundation in The Netherlands, NCF) for the use of supercomputer facilities. NR 40 TC 3 Z9 3 U1 3 U2 22 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 11 BP 2542 EP 2548 DI 10.1039/c0dt01437k PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 730JV UT WOS:000288030500018 PM 21293820 ER PT J AU Roggan, S Limberg, C Knispel, C Tilley, TD AF Roggan, Stefan Limberg, Christian Knispel, Christina Tilley, T. Don TI Transition metal complexes of the novel hexadentate ligand 1,4-bis(di(N-methylimidazol-2-yl)methyl)phthalazine SO DALTON TRANSACTIONS LA English DT Article ID BRIDGED COPPER(II) COMPLEXES; PHOTOSYNTHETIC MN4CA CLUSTER; WATER OXIDATION; METHANE MONOOXYGENASE; FUNCTIONAL MODELS; DIOXYGEN; CATALYSIS; FAMILY; RU AB The novel polydentate ligand 1,4-bis(di(N-methylimidazol-2-yl)methyl)phthalazine, bimptz, has been synthesized and its coordination chemistry was investigated. Bimptz is neutral and contains a central phthalazine unit, to which two di-(N-methylimidazol-2-yl)methyl groups are attached in the 1,4-positions. This ligand therefore provides up to 6 donor sites for coordination to metal ions. A series of metal complexes of bimptz was prepared and their molecular structures were determined by X-ray diffraction. Upon reaction of bimptz with two equivalents of MnCl2 center dot 4H(2)O, CoCl2 center dot 6H(2)O and [Ru(dmso)(4)Cl-2], the dinuclear complexes [Mn-2(bimptz)(mu-Cl)(2)Cl-2] (1), [Co-2(bimptz)(CH3OH)(2)(mu-Cl)(2)](PF6)(2) (3) and [Ru-2(bimptz)(dmso)(2)(mu-Cl)(2)](PF6)(2) (4), respectively, were isolated. The latter were found to have similar solid state structures with octahedrally coordinated metal centers bridged by the phthalazine unit and two chloro ligands. The cobalt and ruthenium complexes 3 and 4 were isolated as PF6- salts and contain neutral methanol and dmso ligands, respectively, at the terminal coordination sites of the metal centres. The mononuclear ruthenium complex [Ru(Hbimptz)(2)](PF6)(4) (6) was obtained from the reaction of two equivalents bimptz with [Ru(dmso)(4)Cl-2]. In complex 6, three donor sites per ligand molecule are used for coordination of the Ru(II) center. In each bimptz ligand, one of the remaining, dangling N-methylimidazole rings is protonated and forms a hydrogen bond with the unprotonated N-methylimidazole ring of the other bimptz ligand. C1 [Tilley, T. Don] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Tilley, T. Don] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Roggan, Stefan; Limberg, Christian; Knispel, Christina] Humboldt Univ, Inst Chem, D-12489 Berlin, Germany. RP Tilley, TD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM christian.limberg@chemie.hu-berlin.de; tdtilley@berkeley.edu FU Deutsche Forschungsgemeinschaft; Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231]; DAAD (German Academic Exchange Service) FX This work was funded by the Deutsche Forschungsgemeinschaft as well as the Helios Solar Energy Research Center, which is supported by the Director, Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. S. R thanks the DAAD (German Academic Exchange Service) for a postdoctoral fellowship. NR 29 TC 5 Z9 5 U1 0 U2 3 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 16 BP 4315 EP 4323 DI 10.1039/c0dt01406k PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 745OI UT WOS:000289174400040 PM 21409278 ER PT J AU Wragg, DS Fullerton, GM Byrne, PJ Slawin, AMZ Warren, JE Teat, SJ Morris, RE AF Wragg, David S. Fullerton, Grace M. Byrne, Peter J. Slawin, Alexandra M. Z. Warren, John E. Teat, Simon J. Morris, Russell E. TI Solvothermal aluminophosphate zeotype synthesis with ionic liquid precursors SO DALTON TRANSACTIONS LA English DT Article ID METAL-ORGANIC FRAMEWORKS; DEEP-EUTECTIC SOLVENTS; IONOTHERMAL SYNTHESIS; GALLIUM PHOSPHATE; MOLECULAR-SIEVES; RAPID THERMOLYSIS/FTIR/TOF; LAYERED ALUMINOPHOSPHATE; CHAIN ALUMINOPHOSPHATE; COORDINATION POLYMERS; POROUS MATERIALS AB We have carried out a study of aluminophosphate framework synthesis using several amine based ionic liquids and their parent amines as solvent and template. The results suggest that in the presence of fluoride ions from hydrofluoric acid the ionic liquids and their parent amines produce the same frameworks, while in synthesis without fluoride ions the products are not related. The results include the synthesis and crystal structure of a novel extra-large pore material using 1-methylpyrrolidine as solvent and template. The relationship between this and sodalite, which can be synthesised in cobalt aluminophosphate form using an ionic liquid prepared from 1-methylpyrrolidine is described. The crystal structures of two other new layered materials are also presented. C1 [Wragg, David S.; Fullerton, Grace M.; Byrne, Peter J.; Slawin, Alexandra M. Z.; Morris, Russell E.] Univ St Andrews, Sch Chem, St Andrews KY16 9ST, Fife, Scotland. [Wragg, David S.] Univ Oslo, InGAP Ctr Res Based Innovat, Dept Chem, N-0383 Oslo, Norway. [Warren, John E.] STFC Daresbury Lab, Warrington WA4 4AD, Cheshire, England. [Teat, Simon J.] Adv Light Source, Berkeley, CA 94720 USA. RP Wragg, DS (reprint author), Univ St Andrews, Sch Chem, St Andrews KY16 9ST, Fife, Scotland. EM david.wragg@smn.uio.no RI Warren, John/B-5219-2008; Slawin, Alexandra/I-9878-2014; Morris, Russell/G-4285-2010 OI Warren, John/0000-0002-8755-7981; Slawin, Alexandra/0000-0002-9527-6418; Morris, Russell/0000-0001-7809-0315 FU UK engineering and physical sciences research council; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX We thank the UK engineering and physical sciences research council for funding and the science and technology facilities council and Lawrence Berkley Laboratory for access to the SRS and ALS respectively. We also thank Professor George Ferguson for advice on the crystal structures. The Advanced light source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under contract No. DE-AC02-05CH11231. NR 66 TC 9 Z9 10 U1 2 U2 48 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 18 BP 4926 EP 4932 DI 10.1039/c0dt01788d PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 752YY UT WOS:000289732600027 PM 21431237 ER PT J AU Wai, CM Liao, YJ Liao, WS Tian, GX Addleman, RS Quach, D Pasilis, SP AF Wai, Chien M. Liao, Yu-Jung Liao, Weisheng Tian, Guoxin Addleman, Raymond S. Quach, Donna Pasilis, Sofie P. TI Uranium dioxide in ionic liquid with a tri-n-butylphosphate-HNO3 complex-dissolution and coordination environment SO DALTON TRANSACTIONS LA English DT Article ID NITRIC-ACID; FACILITATED TRANSFER; EXTRACTION SOLVENTS; URANYL COORDINATION; METAL-IONS; MECHANISM; CHEMISTRY; NITRATE; RAMAN; SPECIATION AB Uranium dioxide can be dissolved directly in an imidazolium-based ionic liquid (IL) at room temperature with a tri-n-butylphosphate(TBP)-HNO3 complex. The dissolution process follows pseudo first-order kinetics initially. Raman spectroscopic studies show the dissolved uranyl ions are coordinated with TBP in the IL phase with a molar ratio of (UO2)(2+) : TBP = 1 : 2. The dissolved uranyl species can be effectively transferred to a supercritical fluid carbon dioxide (sc-CO2) phase. No aqueous phase is formed in either the IL dissolution or the supercritical fluid extraction process. Absorption spectra of the extracted uranyl species in the sc-CO2 phase suggests the presence of a UO2(TBP)(2)(NO3)(2) and HNO3 adduct probably of the form UO2(TBP)(2)(NO3)(2)center dot HNO3. The adduct dissociates in a water-dodecane trap solution during pressure reduction resulting in UO2(TBP)(2)(NO3)(2) collected in the dodecane phase. C1 [Wai, Chien M.; Liao, Yu-Jung; Liao, Weisheng; Quach, Donna; Pasilis, Sofie P.] Univ Idaho, Dept Chem, Moscow, ID 83844 USA. [Tian, Guoxin] Lawrence Berkeley Natl Lab, Glenn T Seaborg Ctr, Berkeley, CA 94720 USA. [Addleman, Raymond S.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wai, CM (reprint author), Univ Idaho, Dept Chem, Moscow, ID 83844 USA. EM cwai@uidaho.edu FU DOE Nuclear Energy University [TO 00058] FX This work was supported by DOE Nuclear Energy University Program (NE-UP grant number TO 00058). NR 40 TC 17 Z9 17 U1 1 U2 47 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 18 BP 5039 EP 5045 DI 10.1039/c0dt01518k PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 752YY UT WOS:000289732600041 PM 21445434 ER PT J AU Ho, HA Gray, TS Baird, B Ellern, A Sadow, AD AF Ho, Hung-An Gray, Tristan S. Baird, Benjamin Ellern, Arkady Sadow, Aaron D. TI Allylic C-H bond activation and functionalization mediated by tris(oxazolinyl)borato rhodium(I) and iridium(I) compounds SO DALTON TRANSACTIONS LA English DT Article ID CARBON-HYDROGEN-BOND; NMR COORDINATION SHIFTS; PT(II) CHLORIDE COMPLEXES; XPCP PINCER COMPLEXES; RAY CRYSTAL-STRUCTURE; OXIDATIVE ADDITION; AMIDO-COMPLEXES; ORGANIC AZIDES; TRANSFER DEHYDROGENATION; SATURATED-HYDROCARBONS AB Allylic C-H bond oxidative addition reactions, mediated by tris(oxazolinyl) borato rhodium(I) and iridium(I) species, provide the first step in a hydrocarbon functionalization sequence. The bond activation products To(M)MH(eta(3)-C8H13) (M=Rh (1), Ir (2)), To(M)MH(eta(3)-C3H5) (M=Rh (3), Ir (4)), and To(M)RhH(eta(3)-C3H4Ph) (5) (To(M) = tris(4,4-dimethyl-2-oxazolinyl)phenylborate) are synthesized by reaction of Tl[To(M)] and the corresponding metal olefin chloride dimers. Characterization of these group 9 allyl hydride complexes includes H-1-N-15 heteronuclear correlation NMR experiments that reveal through-metal magnetization transfer between metal hydride and the trans-coordinated oxazoline nitrogen. Furthermore, the oxazoline N-15 NMR chemical shifts are affected by the trans ligand, with the resonances for the group trans to hydride typically downfield of those trans to eta(3)-allyl and tosylamide. These group 9 oxazolinylborate compounds have been studied to develop approaches for allylic functionalization. However, this possibility is generally limited by the tendency of the allyl hydride compounds to undergo olefin reductive elimination. Reductive elimination products are formed upon addition of ligands such as CO and (CNBu)-Bu-t. Also, To(M)RhH(eta(3)-C8H13) and acetic acid react to give To(M)RhH(kappa(2)-O2CMe) (8) and cyclooctene. In contrast, treatment of To(M)RhH(eta(3)-C3H5) with TsN3 (Ts = SO2C6H4Me) gives the complex To(M)Rh(eta(3)-C3H5)NHTs (10). Interestingly, the reaction of To(M)RhH(h(3)-C8H13) and TsN3 yields To(M)Rh(NHTs)(H)OH2 (11) and 1,3-cyclooctadiene via beta-hydride elimination and Rh-H bond amination. Ligand-induced reductive elimination of To(M)Rh(h(3)-C3H5) NHTs provides HN(CH2CH=CH2)Ts; these steps combine to give a propene C-H activation/functionalization sequence. C1 [Sadow, Aaron D.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. RP Sadow, AD (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM sadow@iastate.edu FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory; US. DOE Office of Science, Office of Workforce Development for Teachers and Scientists through the Summer Undergraduate Laboratory; U.S. Department of Energy [DE-AC02-07CH11358] FX We thank Dr D. Bruce Fulton for assistance with 15N NMR measurements. This research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory. Tristan S. Gray was supported by the US. DOE Office of Science, Office of Workforce Development for Teachers and Scientists through the Summer Undergraduate Laboratory Internship Program at the Ames Laboratory. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. Aaron D. Sadow is an Alfred P. Sloan Fellow. NR 103 TC 6 Z9 6 U1 3 U2 31 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 24 BP 6500 EP 6514 DI 10.1039/c1dt10249d PG 15 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 774KX UT WOS:000291385700026 PM 21566811 ER PT J AU Sun, XQ Bell, JR Luo, HM Dai, S AF Sun, Xiaoqi Bell, Jason R. Luo, Huimin Dai, Sheng TI Extraction separation of rare-earth ions via competitive ligand complexations between aqueous and ionic-liquid phases SO DALTON TRANSACTIONS LA English DT Article ID SOLVENT-EXTRACTION; CROWN-ETHERS; METAL-IONS; TALSPEAK PROCESS; LANTHANIDES; ACTINIDES; COORDINATION; CATALYSIS; GREENNESS; MECHANISM AB The extraction separation of rare earth elements is one of the most challenging separation processes in hydrometallurgy and advanced nuclear fuel cycles. The TALSPEAK process (trivalent actinide lanthanide separations by phosphorus-reagent extraction from aqueous komplexes) is a prime example of these separation processes. The objective of this paper is to explore the use of ionic liquids (ILs) for the TALSPEAK-like process, to further enhance its extraction efficiencies for lanthanides, and to investigate the potential of using this modified TALSPEAK process for separation of lanthanides among themselves. Eight imidazolium ILs ([C(n)mim][NTf(2)] and [C(n)mim][BETI], n = 4,6,8,10) and one pyrrolidinium IL ([C(4)mPy][NTf(2)]) were investigated as diluents using di(2-ethylhexyl) phosphoric acid (HDEHP) as an extractant for the separation of lanthanide ions from aqueous solutions of 50 mM glycolic acid or citric acid and 5 mM diethylenetriamine pentaacetic acid (DTPA). The extraction efficiencies were studied in comparison with diisopropylbenzene (DIPB), an organic solvent used as a diluent for the conventional TALSPEAK extraction system. Excellent extraction efficiencies and selectivities were found for a number of lanthanide ions using HDEHP as an extractant in these ILs. The effects of different alkyl chain lengths in the cations of ILs and of different anions on extraction efficiencies and selectivities of lanthanide ions are also presented in this paper. C1 [Bell, Jason R.; Luo, Huimin] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA. [Sun, Xiaoqi; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Sun, Xiaoqi] Chinese Acad Sci, State Key Lab Rare Earth Resource Utilizat, Inst Appl Chem, Changchun 130022, Peoples R China. RP Luo, HM (reprint author), Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA. EM luoh@ornl.gov; dais@ornl.gov RI Dai, Sheng/K-8411-2015 OI Dai, Sheng/0000-0002-8046-3931 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [DE-AC05-0096OR22725]; Oak Ridge National Laboratory; Oak Ridge Associated Universities (ORAU) FX This research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences under Contract DE-AC05-0096OR22725 with Oak Ridge National Laboratory, managed by UT-Battelle, LLC. XQS and JB acknowledge the Oak Ridge Associated Universities (ORAU) for postdoctoral fellowships. NR 34 TC 28 Z9 29 U1 7 U2 89 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 31 BP 8019 EP 8023 DI 10.1039/c1dt10873e PG 5 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 798BJ UT WOS:000293175800028 PM 21735029 ER PT J AU Nyman, M AF Nyman, May TI Polyoxoniobate chemistry in the 21st century SO DALTON TRANSACTIONS LA English DT Article ID CRYSTAL-STRUCTURE; SOLID-STATE; STRUCTURAL-CHARACTERIZATION; AQUEOUS-SOLUTION; LINDQVIST ION; DECANIOBATE ION; COMPLEX; POLYOXOMETALATE; CLUSTERS; OXYGEN AB Polyoxometalate (POM) chemistry of W, Mo and V is rich and diverse; and new discoveries are frequent and abundant. The prolificacy of this POM chemistry is attributed to rich redox chemistry, an acidic nature that is compatible with addendum metal cations, and most importantly an understanding and ability to control solution behavior. In contrast, the POM chemistry of Nb and Ta (PONb, POTa) is hindered by minimal redox chemistry, alkalinity that is incompatible with the solubility of most metal cations, and a relatively poor understanding of the behavior in aqueous media. Despite these hurdles, considerable advancements in PONb chemistry (and to a much lesser extent POTa chemistry) have been made in the last decade. These include synthesis of the first heteropolyniobate Keggin derivatives, utilization of organic countercations to obtain unprecedented PONb geometries and compositions, and investigation of PONb solution behavior using advanced techniques such as nuclear magnetic resonance (NMR), electrospray ionization mass spectrometry (ESI MS) and small-angle X-ray scattering (SAXS). This Perspective article summarizes the recent successes, continued shortcomings, and some unique and potentially exploitable features of PONb chemistry. More importantly, this annotated compilation of recent PONb literature has revealed the most logical and promising directions for the continued growth of the most challenging of polyoxometalate chemistries. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Nyman, M (reprint author), Sandia Natl Labs, POB 5800,MS-0754, Albuquerque, NM 87185 USA. FU United States Department of Energy [DE-AC04-94AL85000] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the United States Department of Energy under Contract no. DE-AC04-94AL85000. NR 76 TC 79 Z9 81 U1 9 U2 85 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 32 BP 8049 EP 8058 DI 10.1039/c1dt10435g PG 10 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 802JP UT WOS:000293506400001 PM 21670824 ER PT J AU Sturzbecher-Hoehne, M Clara, NPL D'Aleo, A Kullgren, B Prigent, AL Shuh, DK Raymond, KN Abergel, RJ AF Sturzbecher-Hoehne, Manuel Clara Ng Pak Leung D'Aleo, Anthony Kullgren, Birgitta Prigent, Anne-Laure Shuh, David K. Raymond, Kenneth N. Abergel, Rebecca J. TI 3,4,3-LI(1,2-HOPO): In vitro formation of highly stable lanthanide complexes translates into efficacious in vivo europium decorporation SO DALTON TRANSACTIONS LA English DT Article ID O-17 NMR-SPECTROSCOPY; HYDROXYPYRIDINONATE LIGANDS; EQUILIBRIUM-CONSTANTS; ACTINIDE CHELATORS; WATER-MOLECULES; AGENTS; PROGRAM; IONS; LUMINESCENCE; CATECHOLATE AB The spermine-based hydroxypyridonate octadentate chelator 3,4,3-LI(1,2-HOPO) was investigated for its ability to act as an antenna that sensitizes the emission of Sm-III, Eu-III, and Tb-III in the Visible range (Phi(tot) = 0.2-7%) and the emission of Pr-III, Nd-III, Sm-III, and Yb-III in the Near Infra-Red range, with decay times varying from 1.78 mu s to 805 ms at room temperature. The particular luminescence spectroscopic properties of these lanthanide complexes formed with 3,4,3-LI(1,2-HOPO) were used to characterize their respective solution thermodynamic stabilities as well as those of the corresponding La-III, Gd-III, Dy-III, Ho-III, Er-III, Tm-III, and Lu-III complexes. The remarkably high affinity of 3,4,3-LI(1,2-HOPO) for lanthanide metal ions and the resulting high complex stabilities (pM values ranging from 17.2 for La-III to 23.1 for Yb-III) constitute a necessary but not sufficient criterion to consider this octadentate ligand an optimal candidate for in vivo metal decorporation. The in vivo lanthanide complex stability and decorporation capacity of the ligand were assessed, using the radioactive isotope Eu-152 as a tracer in a rodent model, which provided a direct comparison with the in vitro thermodynamic results and demonstrated the great potential of 3,4,3-LI(1,2-HOPO) as a therapeutic metal chelating agent. C1 [Sturzbecher-Hoehne, Manuel; Clara Ng Pak Leung; D'Aleo, Anthony; Kullgren, Birgitta; Prigent, Anne-Laure; Shuh, David K.; Raymond, Kenneth N.; Abergel, Rebecca J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Raymond, Kenneth N.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Abergel, RJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM rjabergel@lbl.gov FU National Institutes of Health [AI074065-01, 1RC2AI087604-01, 5RC2AI087604-02]; Office of Science, Office of Basic Energy Sciences; Division of Chemical Sciences, Geosciences and Biosciences of the U. S. Department of Energy at LBNL [De-AC02-05CH11231] FX This research was supported by the National Institutes of Health (Lanthanide and Actinide Decorporation Program, Grants AI074065-01, 1RC2AI087604-01 and 5RC2AI087604-02), the Director, Office of Science, Office of Basic Energy Sciences, the Division of Chemical Sciences, Geosciences and Biosciences of the U. S. Department of Energy at LBNL under Contract No. De-AC02-05CH11231 (Lanthanide and Actinide Luminescence Studies). NR 31 TC 19 Z9 19 U1 3 U2 28 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 33 BP 8340 EP 8346 DI 10.1039/c1dt10840a PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 804ZD UT WOS:000293694200012 PM 21766096 ER PT J AU Lansing, RB Goldberg, KI Kemp, RA AF Lansing, Raymond B., Jr. Goldberg, Karen I. Kemp, Richard A. TI Unsymmetrical (PNPR)-P-R pincer ligands and their group 10 complexes SO DALTON TRANSACTIONS LA English DT Article ID N-H BONDS; OXIDATIVE ADDITION; MOLECULAR-OXYGEN; PLATINUM; RHODIUM; NICKEL; ELUCIDATION; CATALYSIS; INSERTION; PALLADIUM AB Two new unsymmetrical (PNPR)-P-R-type pincer ligands based on a bis(tolyl)amine framework have been synthesized and characterized by a variety of techniques, including X-ray crystallography. These ligands have been coordinated to Ni, Pd, and Pt precursors to provide a number of well-characterized group 10 halides. Conversion of these metal halides to metal hydrides was accomplished using borohydride reagents, or by direct interaction of the ligand with the zerovalent metal precursor. The insertion of oxygen into these hydrides in an attempt to prepare metal hydroperoxides has been examined; however, we were unable to obtain stable and isolable hydroperoxide species. C1 [Goldberg, Karen I.] Univ Washington, Dept Chem, Seattle, WA 98195 USA. [Lansing, Raymond B., Jr.; Kemp, Richard A.] Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA. [Kemp, Richard A.] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. RP Goldberg, KI (reprint author), Univ Washington, Dept Chem, Box 351700, Seattle, WA 98195 USA. EM goldberg@chem.washington.edu; rakemp@unm.edu FU Department of Energy [DE-FG02-06ER15765]; National Science Foundation [CHE-0443580]; United States Department of Energy [DE-AC04-94AL85000] FX This work was financially supported by the Department of Energy via a grant (DE-FG02-06ER15765) to RAK and KIG. The Bruker X-ray diffractometer was purchased via a National Science Foundation CRIF:MU award to the University of New Mexico (CHE-0443580). We thank Dr. Diane Dickie of UNM for assistance with the X-ray data analysis. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract No. DE-AC04-94AL85000. NR 32 TC 19 Z9 19 U1 0 U2 10 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 35 BP 8950 EP 8958 DI 10.1039/c1dt10265f PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 814RT UT WOS:000294475500029 PM 21597616 ER PT J AU Di Bernardo, P Zanonato, P Rao, LF Bismondo, A Endrizzi, F AF Di Bernardo, Plinio Zanonato, Pierluigi Rao, Linfeng Bismondo, Arturo Endrizzi, Francesco TI Interaction of thorium(IV) with nitrate in aqueous solution: medium effect or weak complexation? SO DALTON TRANSACTIONS LA English DT Article ID VARIABLE TEMPERATURES; TRIVALENT LANTHANIDE; STRONG ELECTROLYTES; SOLVENT-EXTRACTION; FUEL-CYCLE; URANIUM(VI); ACETATE; REACTOR; CHLOROACETATES; THERMODYNAMICS AB Microcalorimetric titrations were performed to study the Th(IV)/nitrate interaction in aqueous solution. The results show the formation of a weak mononuclear complex of Th(IV) with nitrate and allow the determination of the complexation thermodynamic parameters at 298 K and ionic strength 1.0 mol dm(-3). The reaction is endothermic and entropy driven. Data and comparison with similar actinide(IV) complexes allow to confirm the inner-sphere nature of the Th(NO3)(3+) complex. C1 [Di Bernardo, Plinio; Zanonato, Pierluigi; Endrizzi, Francesco] Univ Padua, Dipartimento Sci Chim, I-35131 Padua, Italy. [Rao, Linfeng] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Bismondo, Arturo] CNR, Ist Chim Inorgan & Superfici, I-35127 Padua, Italy. RP Di Bernardo, P (reprint author), Univ Padua, Dipartimento Sci Chim, Via Marzolo 1, I-35131 Padua, Italy. EM plinio.dibernardo@unipd.it; lrao@lbl.gov FU University of Padova [CPDA085007/08]; Office of Science, Office of Basic Energy Sciences of U.S. Department of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Consiglio Nazionale delle Ricerche, Rome FX This work was supported by the University of Padova (PRAT n. CPDA085007/08) and by the Director, Office of Science, Office of Basic Energy Sciences of U.S. Department of Energy under Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory. A. Bismondo and F. Endrizzi also thank Consiglio Nazionale delle Ricerche, Rome for the support throughout this work. NR 41 TC 4 Z9 4 U1 1 U2 22 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 36 BP 9101 EP 9105 DI 10.1039/c1dt10325c PG 5 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 814RP UT WOS:000294475100007 PM 21738949 ER PT J AU Zhu, XB Tang, XW Shi, DQ Jian, HB Lei, HC Yeoh, WK Zhao, BC Yang, J Li, Q Zheng, RK Dou, SX Sun, YP AF Zhu, Xuebin Tang, Xianwu Shi, Dongqi Jian, Hongbin Lei, Hechang Yeoh, Wai Kong Zhao, Bangchuan Yang, Jie Li, Qi Zheng, Rongkun Dou, Shixue Sun, Yuping TI Synthesis and characterization of self-assembled c-axis oriented Bi2Sr3Co2Oy thin films by the sol-gel method SO DALTON TRANSACTIONS LA English DT Article ID CHEMICAL SOLUTION DEPOSITION; THERMOELECTRIC PROPERTIES; EPITAXIAL-GROWTH; COBALT-OXIDE; CA3CO4O9; MAGNETORESISTANCE; TRANSITION AB Bi2Sr3Co2Oy thin films are prepared on SrTiO3 (100), (110) and (111) single crystal substrates using the sol-gel method. All the thin films are c-axis oriented regardless of the orientation of the substrate suggesting self-assembled c-axis orientation, and X-ray photoelectron spectroscopy results give evidence of coexistence of Co3+ and Co2+ ions in the derived films. Transmission electronic microscopy observations reveal that all samples are c-axis oriented with no obvious differences for different samples, and the c-axis lattice constant is determined as similar to 15 angstrom suggesting the misfit structure. A phenomenological thermodynamic phase diagram for self-assembled c-axis orientation is established for misfit cobaltate-based films using chemical solution deposition. All samples behave like semiconductors due to the coexistence of Co3+/Co2+ ions, and the resistivity at 350 K is similar to 47, 39 and 17 m Omega cm for the thin films on SrTiO3 (100), (110) and (111), respectively, whereas the Seebeck coefficient at 300 K is 97, 89 and 77 mu V K-1. The successful attainment of Bi2Sr3Co2Oy thin films with self-assembled c-axis orientation will provide an effective prototype for investigation of growth mechanisms in complex oxide thin films with a misfit structure. C1 [Zhu, Xuebin; Tang, Xianwu; Jian, Hongbin; Zhao, Bangchuan; Yang, Jie; Sun, Yuping] Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China. [Zhu, Xuebin; Shi, Dongqi; Li, Qi; Dou, Shixue] Univ Wollongong, Inst Superconducting & Elect Mat, Wollongong, NSW 2522, Australia. [Lei, Hechang] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Yeoh, Wai Kong; Zheng, Rongkun] Univ Sydney, Australian Ctr Microscopy & Microanal, Sydney, NSW 2006, Australia. RP Zhu, XB (reprint author), Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China. EM xbzhu@issp.ac.cn RI Yang, Jie/C-5109-2008; Zhao, Bangchuan/A-8612-2012; Dou, Shi Xue/D-5179-2012; Zheng, Rongkun/A-7923-2008; Zhu, Xuebin/B-1592-2010; 汤, 现武/J-8860-2014; LEI, Hechang/H-3278-2016; OI Yang, Jie/0000-0003-0641-6296; Zhao, Bangchuan/0000-0003-2892-3168; Dou, Shi Xue/0000-0003-3824-7693; Zheng, Rongkun/0000-0002-7860-2023; 汤, 现武/0000-0002-2287-699X; Yeoh, Wai Kong/0000-0002-6359-0728 FU National Natural Science Foundation of China [50802096, 10904150]; Nature Science Foundation of Anhui Province of China [090414184]; National Key Basic Research grant [2011CBA00111] FX This work was supported by the National Natural Science Foundation of China under contract Nos. 50802096 and 10904150, Nature Science Foundation of Anhui Province of China under Contract No. 090414184, National Key Basic Research grant under Contract No. 2011CBA00111. NR 32 TC 8 Z9 8 U1 1 U2 23 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 37 BP 9544 EP 9550 DI 10.1039/c0dt01731k PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 817IY UT WOS:000294666700026 PM 21850346 ER PT J AU Rozenel, SS Kerr, JB Arnold, J AF Rozenel, Sergio S. Kerr, John B. Arnold, John TI Metal complexes of Co, Ni and Cu with the pincer ligand HN((CH2CH2PPr2)-Pr-i)(2): preparation, characterization and electrochemistry SO DALTON TRANSACTIONS LA English DT Article ID MONOANIONIC N2P2 LIGAND; ONE-STEP SYNTHESIS; TRANSFER HYDROGENATION; RUTHENIUM COMPLEXES; CRYSTAL-STRUCTURES; AMMONIA-BORANE; CATALYSTS; NITRILES; AMINES; NICKEL AB A series of Co, Ni and Cu complexes with the ligand HN((CH2CH2PPr2)-Pr-i)(2) (HNP2) has been isolated and their electrochemical behaviour investigated by cyclic voltammetry. The nickel complexes [(HNP2)NiOTf]OTf and [(HNP2)NiNCCH3](BF4)(2) display reversible reductions, as does the related amide derivative (NP2)NiBr. The related copper(I) and cobalt(II) derivatives were also isolated and characterized. The addition of piperidine to [(HNP2)NiNCCH3](BF4)(2) led to the formation of the new species [(HNP2)Ni(N(H)C(CH3)NC5H10)](BF4)(2). The nucleophilic addition of piperidine to acetonitrile to produce HN=C(CH3)NC5H10 was found to be catalyzed by [(HNP2)NiNCCH3](BF4)(2). C1 [Arnold, John] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Arnold, J (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RI Arnold, John/F-3963-2012 OI Arnold, John/0000-0001-9671-227X FU NSF [0848931]; centre for Electrocatalysis, Transport Phenomena, and Materials (CETM) for Innovative Energy Storage, an Energy Frontier Research centre; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC00001055] FX We thank the NSF (0848931) and the centre for Electrocatalysis, Transport Phenomena, and Materials (CETM) for Innovative Energy Storage, an Energy Frontier Research centre funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC00001055 for support of this work. NR 65 TC 30 Z9 30 U1 0 U2 34 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 40 BP 10397 EP 10405 DI 10.1039/c1dt10599j PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 829XF UT WOS:000295618600017 PM 21766111 ER PT J AU Szajna-Fuller, E Bakac, A AF Szajna-Fuller, Ewa Bakac, Andreja TI Kinetics and mechanism of the reduction of a macrocyclic Rh(III) complex by chromium(II) ions: pH-controlled selectivity to rhodium(II) vs. rhodium(III) hydride SO DALTON TRANSACTIONS LA English DT Article ID HYDROGEN-ATOM ABSTRACTION; ELECTRON-TRANSFER; AQUEOUS-SOLUTIONS; BIOLOGY; REACTIVITY; ACTIVATION; RADICALS; LIGAND AB Aqueous chromium(II) ions reduce a macrocyclic Rh(III) complex L(1)(H(2)O)(2)Rh(3+) (L(1) = 1,4,8,11-tetraazacyclotetradecane) to the hydride L(1)(H(2)O)RhH(2+) in two discrete, one-electron steps. The first step generates L(1)(H(2)O)Rh(2+) with kinetics that are first order in each rhodium(III) complex and Cr(H(2)O)(6)(2+), and inverse in [H(+)], k/M(-1) s(-1) = 0.065/(0.0031 + [H(+)]). Further reduction of L(1)(H(2)O)Rh(2+) to L(1)(H(2)O)RhH(2+) is kinetically independent of [H(+)], k/M(-1) s(-1) = 0.30. The difference in [H(+)] dependence allows relative rates of the two steps to be manipulated to generate either L(1)(H(2)O)Rh(2+) or L(1)(H(2)O)RhH(2+) as the final product. C1 [Szajna-Fuller, Ewa; Bakac, Andreja] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Bakac, A (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM bakac@ameslab.gov FU U.S. Department of Energy [DE-AC02-07CH11358] FX This manuscript has been authored under Contract No. DE-AC02-07CH11358 with the U.S. Department of Energy. NR 28 TC 2 Z9 2 U1 0 U2 4 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 40 BP 10598 EP 10602 DI 10.1039/c1dt10747j PG 5 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 829XF UT WOS:000295618600038 PM 21796299 ER PT J AU Sundararajan, M Assary, RS Hillier, IH Vaughan, DJ AF Sundararajan, Mahesh Assary, Rajeev S. Hillier, Ian H. Vaughan, David J. TI The mechanism of the reduction of [AnO(2)](2+) (An = U, Np, Pu) in aqueous solution, and by Fe(II) containing proteins and mineral surfaces, probed by DFT calculations SO DALTON TRANSACTIONS LA English DT Article ID RAY-ABSORPTION SPECTROSCOPY; AQUO COMPLEXES; ACTINYL-OXO; FREE-ENERGY; URANYL-ION; URANIUM; MACKINAWITE; BIOREDUCTION; NEPTUNIUM; DYNAMICS AB The fate of actinyl species in the environment is closely linked to oxidation state, since the reduction of An(VI) to An(IV) greatly decreases their mobility due to the precipitation of the relatively insoluble An(IV) species. Here we study the mechanism of the reduction of [AnO(2)](2+) (An = U, Np, Pu) both in aqueous solution and by Fe(II) containing proteins and mineral surfaces, using density functional theory calculations. We find a disproportionation mechanism involving a An(V)-An(V) cation-cation complex, and we have investigated how these complexes are formed in the different environments. We find that the behaviour of U and Pu complexes are similar, but the reduction of Np(V) to Np(IV) would seems to be more difficult, in line with the experimental finding that Np(V) is generally more stable than U(V) or Pu(V). Although the models we have used are somewhat idealised, our calculations suggest that there are strong similarities between the biotic and abiotic reduction pathways. C1 [Sundararajan, Mahesh; Assary, Rajeev S.; Hillier, Ian H.] Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England. [Sundararajan, Mahesh] Bhabha Atom Res Ctr, Theoret Chem Sect, Chem Grp, Bombay 400085, Maharashtra, India. [Assary, Rajeev S.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Vaughan, David J.] Univ Manchester, Sch Earth Atmospher & Environm Sci, Manchester M13 9PL, Lancs, England. RP Hillier, IH (reprint author), Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England. EM Ian.Hillier@manchester.ac.uk RI Surendran Assary, Rajeev/E-6833-2012 OI Surendran Assary, Rajeev/0000-0002-9571-3307 FU NERC; Leverhulme Trust FX We thank NERC and the Leverhulme Trust for financial support. NR 39 TC 11 Z9 11 U1 3 U2 32 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 42 BP 11156 EP 11163 DI 10.1039/c1dt10700c PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 835GM UT WOS:000296024000013 PM 21837318 ER PT J AU Pratt, HD Rose, AJ Staiger, CL Ingersoll, D Anderson, TM AF Pratt, Harry D., III Rose, Alyssa J. Staiger, Chad L. Ingersoll, David Anderson, Travis M. TI Synthesis and characterization of ionic liquids containing copper, manganese, or zinc coordination cations SO DALTON TRANSACTIONS LA English DT Article ID CATALYTIC REACTIONS; SOLVENTS; ANION AB Copper-, manganese-, and zinc-based ionic liquids (Cu{NH(2)CH(2)CH(2)OH}(6)[CH(3)(CH(2))(3)CH(C(2)H(5))CO(2)](2) (2), Cu{NH(CH(2)CH(2)OH)(2)}(6)[CH(3)(CH(2))(3)CH(C(2)H(5))CO(2)](2) (3A), Cu{NH(CH(2)CH(2)OH)(2)}(6)[CF(3)SO(3)](2) (3B), Cu{NH(CH(2)CH(2)OH)(2)}(6)[(CF(3)SO(2))(2)N](2) (3C), Mn{NH(CH(2)CH(2)OH)(2)}(6)[CF(3)SO(3)](2) (4), and Zn{NH(2)CH(2)CH(2)OH}(6)[CF(3)SO(3)](2) (5)) are synthesized in a single-step reaction. Infrared data suggest that ethanolamine preferentially coordinates to the metal center through the amine group in 2 and the hydroxyl group in 5. In addition, diethanolamine coordinates through the amine group in 3A, 3C, and 4 and the hydroxyl group in 3B. The compounds are viscous (> 1000 cP) at room temperature, but two (3C and 4) display specific conductivities that are reasonably high for ionic liquids (> 20 mS cm(-1)). All of the compounds display a glass transition (T(g)) below -50 degrees C. The cyclic voltammograms (CVs) of 2, 3A, 3B, and 3C display a single quasi-reversible wave associated with Cu(II)/Cu(I) reduction and re-oxidation while 5 shows a wave attributed to Zn(II)/Zn(0) reduction and stripping (re-oxidation). Compound 4 is the first in this new family of transition metal-based ionic liquids (MetILs) to display reversible Mn(II)/Mn(III) oxidation and re-reduction at 50 mV s(-1) using a glassy carbon working electrode. C1 [Pratt, Harry D., III; Rose, Alyssa J.; Staiger, Chad L.; Ingersoll, David; Anderson, Travis M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Anderson, TM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM tmander@sandia.gov FU U. S. Department of Energy, Office of Electricity Delivery and Energy Reliability; Sandia National Laboratories; U. S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We gratefully acknowledge the U. S. Department of Energy, Office of Electricity Delivery and Energy Reliability (Dr Imre Gyuk, Energy Storage Program) and Sandia National Laboratories' LDRD program, for funding, and J. C. Leonard for technical assistance. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin company, for the U. S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 32 TC 41 Z9 41 U1 0 U2 49 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 43 BP 11396 EP 11401 DI 10.1039/c1dt10973a PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 837LH UT WOS:000296204100012 PM 21833402 ER PT J AU Gomez, V Corbella, M Roubeau, O Teat, SJ AF Gomez, Veronica Corbella, Montserrat Roubeau, Olivier Teat, Simon J. TI Magneto-structural correlations in dinuclear Mn(III) compounds with formula [{Mn(L)(NN)}(mu-O)(mu-2-RC6H4COO)(2){Mn(L ')(NN)}](n+) SO DALTON TRANSACTIONS LA English DT Article ID BINUCLEAR MANGANESE(III) COMPLEXES; POTENTIAL BIOLOGICAL SIGNIFICANCE; TERMINAL MONODENTATE LIGANDS; MAGNETIC-PROPERTIES; CRYSTAL-STRUCTURE; REDOX PROPERTIES; ACTIVE-SITE; CORE; CATALASE; MODELS AB Three dinuclear Mn(III) compounds with oxo and carboxylato bridges have been synthesized and characterized by X-ray diffraction: [{Mn(L)(NN)}(mu-2-ClC6H4COO)(2)(mu-O){Mn(L')(NN)}](n+) with NN = 2,2'-bipyridine (1 and 2) or 1,10-phenanthroline (3). The counteranion is either NO3-(1 and 3) or ClO4- (2) and the monodentate positions (L, L') could be occupied by molecules of water or the counteranion. For compound 1, L = H2O and L' = NO3-; compound 2 shows two different dinuclear units and L and L' could be H2O or ClO4-, and for compound 3 both monodentate positions are occupied by nitrate anions. The magnetic properties of the three compounds have been analyzed using the Hamiltonian H = -JS(1).S-2. Compound 1 exhibits a dominant ferromagnetic behavior, with J = 3.0 cm(-1), vertical bar D-Mn vertical bar = 1.79 cm(-1), vertical bar E-Mn vertical bar = 0.60 cm(-1) with intermolecular interactions zJ' = -0.18 cm(-1). Due to the anisotropy of the Mn(III) ions, the ground state S = 4 shows ZFS with vertical bar D-4 vertical bar = 0.58 cm(-1). Compounds 2 and 3 show antiferromagnetic couplings, with J = -10.9 and -0.3 cm(-1), respectively. The magnetic interaction in this kind of compound depends on several structural factors. In the present work, the distortion around manganese ions, the torsion angle between the phenyl ring and the carboxylate group and the relative disposition of the coordination octahedra have been analyzed. C1 [Gomez, Veronica; Corbella, Montserrat] Univ Barcelona, Dept Quim Inorgan, Fac Quim, E-08028 Barcelona, Spain. [Roubeau, Olivier] Univ Zaragoza, E-50009 Zaragoza, Spain. [Roubeau, Olivier] CSIC, Inst Ciencia Mat Aragon, E-50009 Zaragoza, Spain. [Teat, Simon J.] Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Gomez, V (reprint author), Univ Barcelona, Dept Quim Inorgan, Fac Quim, Marti & Franques 1-11, E-08028 Barcelona, Spain. EM veronica.gomez@qi.ub.es RI Corbella, Montserrat/I-3667-2014; Roubeau, Olivier/A-6839-2010; Gomez, Veronica/A-4287-2017 OI Corbella, Montserrat/0000-0002-7281-7576; Roubeau, Olivier/0000-0003-2095-5843; Gomez, Veronica/0000-0001-9768-0724 FU Ministerio de Ciencia e Innovacion of Spain [CTQ2009-07264/BQU]; Comissio Interdepartamental de Recerca i Innovacio Tecnologica of la Generalitat de Catalunya (CIRIT) [2009-SGR1454]; Ministerio de Ciencia e Innovacion [BES-2007-15668]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Ministerio de Ciencia e Innovacion of Spain through the project CTQ2009-07264/BQU, the Comissio Interdepartamental de Recerca i Innovacio Tecnologica of la Generalitat de Catalunya (CIRIT) (2009-SGR1454). V.G. thanks the Ministerio de Ciencia e Innovacion for the PhD grant BES-2007-15668. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 39 TC 9 Z9 9 U1 1 U2 8 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 44 BP 11968 EP 11975 DI 10.1039/c1dt11242b PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 844VB UT WOS:000296776200041 PM 21983751 ER PT J AU McIntosh, RD Taylor, SM Sanz, S Beavers, CM Teat, SJ Brechin, EK Dalgarno, SJ AF McIntosh, Ruaraidh D. Taylor, Stephanie M. Sanz, Sergio Beavers, Christine M. Teat, Simon J. Brechin, Euan K. Dalgarno, Scott J. TI p-tert-Butylcalix[8]arene: A support for sodium and sodium-manganese clusters that exhibit interesting self-assembly properties SO DALTON TRANSACTIONS LA English DT Article ID MIMICKING VIRAL GEOMETRY; COMPLEXES; CALIXARENE; LIGAND; METAL; MAGNETS; SPHERES; ARRAYS; WATER; IONS AB A series of new sodium and mixed sodium/manganese clusters have been formed using p-tert-butylcalix[8] arene as a support. In all cases the calixarene adopts the pleated-loop conformation, and the resulting complexes show interesting self-assembly properties depending on the ligated solvent molecules around individual cluster cores. C1 [Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.] Univ Edinburgh, EaStCHEM Sch Chem, Edinburgh, Midlothian, Scotland. [McIntosh, Ruaraidh D.; Dalgarno, Scott J.] Heriot Watt Univ, Sch Engn & Phys Sci Chem, Edinburgh EH14 4AS, Midlothian, Scotland. [Beavers, Christine M.; Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Brechin, EK (reprint author), Univ Edinburgh, EaStCHEM Sch Chem, W Mains Rd, Edinburgh, Midlothian, Scotland. EM ebrechin@staffmail.ed.ac.uk; S.J.Dalgarno@hw.ac.uk RI McIntosh, Ruaraidh/F-9750-2011; Brechin, Euan/M-5130-2014; Sanz, Sergio/L-5819-2016; Dalgarno, Scott/A-7358-2010 OI McIntosh, Ruaraidh/0000-0002-7563-5655; Brechin, Euan/0000-0002-9365-370X; Dalgarno, Scott/0000-0001-7831-012X FU EPSRC; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX We thank the EPSRC for funding and the EPSRC National Crystallography Service for data collection for compound 2. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 39 TC 8 Z9 9 U1 3 U2 13 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 45 BP 12265 EP 12270 DI 10.1039/c1dt10821b PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 848QT UT WOS:000297069000039 PM 21952444 ER PT J AU Dantas, JM Saraiva, IH Morgado, L Silva, MA Schiffer, M Salgueiro, CA Louro, RO AF Dantas, Joana M. Saraiva, Ivo H. Morgado, Leonor Silva, Marta A. Schiffer, Marianne Salgueiro, Carlos A. Louro, Ricardo O. TI Orientation of the axial ligands and magnetic properties of the hemes in the cytochrome c(7) family from Geobacter sulfurreducens determined by paramagnetic NMR SO DALTON TRANSACTIONS LA English DT Article ID DESULFOVIBRIO-VULGARIS; ELECTRONIC-STRUCTURE; STRUCTURAL BASIS; PROTEINS; C(3); FE(III); SHIFTS; C-13; H-1 AB Geobacter sulfurreducens is a sediment bacterium that contains a large number of multiheme cytochromes. The family of five c(7) triheme periplasmic cytochromes from Geobacter sulfurreducens shows structural diversity of the heme core. Structural characterization of the relative orientation of the axial ligands of these proteins by C-13-paramagnetic NMR was carried out. The structures in solution were compared with those obtained by X-ray crystallography. For some hemes significant differences exist between the two methods such that orientation of the magnetic axes obtained from NMR data and the orientation taken from the X-ray coordinates differ. The results allowed the orientation of the magnetic axes to be defined confidently with respect to the heme frame in solution, a necessary step for the use of paramagnetic constraints to improve the complete solution structure of these proteins. C1 [Dantas, Joana M.; Morgado, Leonor; Silva, Marta A.; Salgueiro, Carlos A.] Univ Nova Lisboa, Fac Ciencias & Tecnol, Requimte CQFB, Dept Quim, P-2829516 Caparica, Portugal. [Saraiva, Ivo H.; Louro, Ricardo O.] Univ Nova Lisboa, Inst Tecnol Quim & Biol, P-2780156 Oeiras, Portugal. [Schiffer, Marianne] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Salgueiro, CA (reprint author), Univ Nova Lisboa, Fac Ciencias & Tecnol, Requimte CQFB, Dept Quim, Campus Caparica, P-2829516 Caparica, Portugal. EM csalgueiro@dq.fct.unl.pt; louro@itqb.unl.pt RI Salgueiro, Carlos/A-4522-2013; Morgado, Leonor/D-7387-2013; Caparica, cqfb_staff/H-2611-2013; REQUIMTE, AL/H-9106-2013; Chaves, Pedro/K-1288-2013; Saraiva, Ivo/M-6213-2013; REQUIMTE, SMB/M-5694-2013; REQUIMTE, UCIBIO/N-9846-2013; Dantas, Joana/B-8275-2017; OI Salgueiro, Carlos/0000-0003-1136-809X; Morgado, Leonor/0000-0002-3760-5180; Louro, Ricardo/0000-0002-2392-6450; Saraiva, Ivo/0000-0002-5833-7699; Dantas, Joana/0000-0002-4852-7608; Silva, Marta A./0000-0002-4994-5473 FU Fundacao para a Ciencia e a Tecnologia [PTDC/QUI/70182/2006, MIT-Pt/BSBB/0014/2008, SFRH/BD/36582/2007, SFRH/BD/37415/2007, SFRH/BD/61952/2009]; FCT, Portugal [REDE/1517/RMN/2005]; U.S. Department of Energy's Office of Science, Biological and Environmental Research [DE-AC02-06CH11357] FX This work was supported by Fundacao para a Ciencia e a Tecnologia Grants PTDC/QUI/70182/2006 (C.A.S.) and MIT-Pt/BSBB/0014/2008 (R.O.L.). I.H.S., L.M. and M.A.S. were supported by doctoral grants SFRH/BD/36582/2007, SFRH/BD/37415/2007 and SFRH/BD/61952/2009 from Fundacao para a Ciencia e a Tecnologia, respectively. We acknowledge Lab-RMN at FCT-UNL and Rede Nacional de RMN for access to the facilities. Rede Nacional de RMN is supported with funds from FCT, Projecto deRe-equipamento Cientifico contract REDE/1517/RMN/2005, Portugal. The work at Argonne National Laboratory was supported by the U.S. Department of Energy's Office of Science, Biological and Environmental Research GTL program under contract No. DE-AC02-06CH11357. This work is a part of collaboration with Prof. D.R. Lovley (University of Massachusetts, Amherst) under the Genomics: GTL project. NR 26 TC 9 Z9 9 U1 0 U2 11 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2011 VL 40 IS 47 BP 12713 EP 12718 DI 10.1039/c1dt10975h PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 853DZ UT WOS:000297407700014 PM 22012591 ER PT J AU Gaudet, P Bairoch, A Field, D Sansone, SA Taylor, C Attwood, TK Bateman, A Blake, JA Bult, CJ Cherry, JM Chisholm, RL Cochrane, G Cook, CE Eppig, JT Galperin, MY Gentleman, R Goble, CA Gojobori, T Hancock, JM Howe, DG Imanishi, T Kelso, J Landsman, D Lewis, SE Mizrachi, IK Orchard, S Ouellette, BFF Ranganathan, S Richardson, L Rocca-Serra, P Schofield, PN Smedley, D Southan, C Tan, TW Tatusova, T Whetzel, PL White, O Yamasaki, C AF Gaudet, Pascale Bairoch, Amos Field, Dawn Sansone, Susanna-Assunta Taylor, Chris Attwood, Teresa K. Bateman, Alex Blake, Judith A. Bult, Carol J. Cherry, J. Michael Chisholm, Rex L. Cochrane, Guy Cook, Charles E. Eppig, Janan T. Galperin, Michael Y. Gentleman, Robert Goble, Carole A. Gojobori, Takashi Hancock, John M. Howe, Douglas G. Imanishi, Tadashi Kelso, Janet Landsman, David Lewis, Suzanna E. Mizrachi, Ilene Karsch Orchard, Sandra Ouellette, B. F. Francis Ranganathan, Shoba Richardson, Lorna Rocca-Serra, Philippe Schofield, Paul N. Smedley, Damian Southan, Christopher Tan, Tin W. Tatusova, Tatiana Whetzel, Patricia L. White, Owen Yamasaki, Chisato CA BioDBCore Working Grp TI Towards BioDBcore: a community-defined information specification for biological databases SO DATABASE-THE JOURNAL OF BIOLOGICAL DATABASES AND CURATION LA English DT Editorial Material ID BIOINFORMATICS; RESOURCES C1 [Gaudet, Pascale; Bairoch, Amos] Swiss Inst Bioinformat, CMU, CH-1211 Geneva 4, Switzerland. [Gaudet, Pascale; Chisholm, Rex L.] Northwestern Univ, Feinberg Sch Med, Chicago, IL 60611 USA. [Field, Dawn] NERC Ctr Ecol & Hydrol, Oxford OX1 3SR, England. [Sansone, Susanna-Assunta; Cook, Charles E.; Rocca-Serra, Philippe] Univ Oxford, Oxford E Res Ctr, Oxford OX1 3QG, England. [Taylor, Chris; Cochrane, Guy; Orchard, Sandra; Smedley, Damian] European Bioinformat Inst EBI, European Mol Biol Lab EMBL Outstn, Cambridge CB10 1SD, England. [Attwood, Teresa K.] Univ Manchester, Fac Life Sci, Manchester M13 9PT, Lancs, England. [Attwood, Teresa K.; Goble, Carole A.] Univ Manchester, Sch Comp Sci, Manchester M13 9PT, Lancs, England. [Bateman, Alex] Wellcome Trust Sanger Inst, Cambridge CB10 1SA, England. [Blake, Judith A.; Bult, Carol J.; Eppig, Janan T.] Jackson Lab, Bar Harbor, ME 04609 USA. [Cherry, J. Michael] Stanford Univ, Dept Genet, Stanford, CA 94305 USA. [Galperin, Michael Y.; Mizrachi, Ilene Karsch; Tatusova, Tatiana] NIH, NCBI, Natl Lib Med, Bethesda, MD 20894 USA. [Gentleman, Robert] Genentech Inc, San Francisco, CA 94080 USA. [Gojobori, Takashi; Imanishi, Tadashi] Natl Inst Adv Ind Sci & Technol, Biomed Informat Res Ctr, Tokyo 1350064, Japan. [Gojobori, Takashi; Yamasaki, Chisato] DNA Data Bank Japan, Natl Inst Genet, Mishima, Shizuoka 4118540, Japan. [Gojobori, Takashi; Yamasaki, Chisato] Res Org Informat & Syst, Ctr Informat Biol, Mishima, Shizuoka 4118540, Japan. [Hancock, John M.] MRC Harwell, Mammalian Genet Unit, Didcot OX11 0RD, Oxon, England. [Howe, Douglas G.] 5291 Univ Oregon, Eugene, OR 97401 USA. [Kelso, Janet] Max Planck Inst Evolutionary Anthropol, Dept Evolutionary Genet, Leipzig, Germany. [Landsman, David] Oxford Univ Press, DATABASE, Oxford OX2 6DP, England. [Lewis, Suzanna E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. [Ouellette, B. F. Francis] Ontario Inst Canc Res, Toronto, ON M5G 0A3, Canada. [Ranganathan, Shoba] Macquarie Univ, Dept Chem & Biomol Sci, Sydney, NSW 2109, Australia. [Ranganathan, Shoba; Tan, Tin W.] Natl Univ Singapore, Yong Loo Lin Sch Med, Dept Biochem, Singapore 117595, Singapore. [Richardson, Lorna] Western Gen Hosp, MRC Human Genet Unit, Inst Genet & Mol Med, Edinburgh EH4 2XU, Midlothian, Scotland. [Schofield, Paul N.] Univ Cambridge, Dept Physiol Dev & Neurosci, Cambridge CB2 3EG, England. [Southan, Christopher] ChrisDS Consulting, Gothenburg, Sweden. [Whetzel, Patricia L.] Stanford Univ, Stanford Ctr Biomed Informat Res, Natl Ctr Biomed Ontol, Stanford, CA 94305 USA. [White, Owen] Univ Maryland, Sch Med, Inst Genome Sci, Baltimore, MD 21201 USA. RP Gaudet, P (reprint author), Swiss Inst Bioinformat, CMU, 1 Rue Michel Servet, CH-1211 Geneva 4, Switzerland. EM pascale.gaudet@isb-sib.ch RI Galperin, Michael/B-5859-2013; Tan, Tin Wee/B-8963-2009; OI Landsman, David/0000-0002-9819-6675; Orchard, Sandra/0000-0002-8878-3972; Southan, Christopher/0000-0001-9580-0446; Galperin, Michael/0000-0002-2265-5572; Tan, Tin Wee/0000-0002-4062-2854; Cherry, J. Michael/0000-0001-9163-5180; Ouellette, B. F. Francis/0000-0003-4676-675X; Ranganathan, Shoba/0000-0002-8290-813X; Cochrane, Guy/0000-0001-7954-7057; Howe, Douglas/0000-0001-5831-7439; Richardson, Lorna/0000-0002-3655-5660; Lewis, Suzanna/0000-0002-8343-612X; Goble, Carole/0000-0003-1219-2137; Bairoch, Amos/0000-0003-2826-6444 NR 12 TC 7 Z9 7 U1 1 U2 5 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1758-0463 J9 DATABASE-OXFORD JI Database PY 2011 AR baq027 DI 10.1093/database/baq027 PG 6 WC Mathematical & Computational Biology SC Mathematical & Computational Biology GA 883JQ UT WOS:000299630600001 ER PT J AU Guberman, JM Ai, J Arnaiz, O Baran, J Blake, A Baldock, R Chelala, C Croft, D Cros, A Cutts, RJ Di Genova, A Forbes, S Fujisawa, T Gadaleta, E Goodstein, DM Gundem, G Haggarty, B Haider, S Hall, M Harris, T Haw, R Hu, S Hubbard, S Hsu, J Iyer, V Jones, P Katayama, T Kinsella, R Kong, L Lawson, D Liang, Y Lopez-Bigas, N Luo, J Lush, M Mason, J Moreews, F Ndegwa, N Oakley, D Perez-Llamas, C Primig, M Rivkin, E Rosanoff, S Shepherd, R Simon, R Skarnes, B Smedley, D Sperling, L Spooner, W Stevenson, P Stone, K Teague, J Wang, J Wang, JX Whitty, B Wong, DT Wong-Erasmus, M Yao, L Youens-Clark, K Yung, C Zhang, JJ Kasprzyk, A AF Guberman, Jonathan M. Ai, J. Arnaiz, O. Baran, Joachim Blake, Andrew Baldock, Richard Chelala, Claude Croft, David Cros, Anthony Cutts, Rosalind J. Di Genova, A. Forbes, Simon Fujisawa, T. Gadaleta, E. Goodstein, D. M. Gundem, Gunes Haggarty, Bernard Haider, Syed Hall, Matthew Harris, Todd Haw, Robin Hu, S. Hubbard, Simon Hsu, Jack Iyer, Vivek Jones, Philip Katayama, Toshiaki Kinsella, R. Kong, Lei Lawson, Daniel Liang, Yong Lopez-Bigas, Nuria Luo, J. Lush, Michael Mason, Jeremy Moreews, Francois Ndegwa, Nelson Oakley, Darren Perez-Llamas, Christian Primig, Michael Rivkin, Elena Rosanoff, S. Shepherd, Rebecca Simon, Reinhard Skarnes, B. Smedley, Damian Sperling, Linda Spooner, William Stevenson, Peter Stone, Kevin Teague, J. Wang, Jun Wang, Jianxin Whitty, Brett Wong, D. T. Wong-Erasmus, Marie Yao, L. Youens-Clark, Ken Yung, Christina Zhang, Junjun Kasprzyk, Arek TI BioMart Central Portal: an open database network for the biological community SO DATABASE-THE JOURNAL OF BIOLOGICAL DATABASES AND CURATION LA English DT Article ID KEGG; IDENTIFICATIONS; GENOMICS AB BioMart Central Portal is a first of its kind, community-driven effort to provide unified access to dozens of biological databases spanning genomics, proteomics, model organisms, cancer data, ontology information and more. Anybody can contribute an independently maintained resource to the Central Portal, allowing it to be exposed to and shared with the research community, and linking it with the other resources in the portal. Users can take advantage of the common interface to quickly utilize different sources without learning a new system for each. The system also simplifies cross-database searches that might otherwise require several complicated steps. Several integrated tools streamline common tasks, such as converting between ID formats and retrieving sequences. The combination of a wide variety of databases, an easy-to-use interface, robust programmatic access and the array of tools make Central Portal a one-stop shop for biological data querying. Here, we describe the structure of Central Portal and show example queries to demonstrate its capabilities. Database URL: http://central.biomart.org. C1 [Guberman, Jonathan M.; Baran, Joachim; Cros, Anthony; Haw, Robin; Hsu, Jack; Liang, Yong; Rivkin, Elena; Wang, Jianxin; Whitty, Brett; Wong-Erasmus, Marie; Yao, L.; Yung, Christina; Zhang, Junjun; Kasprzyk, Arek] Ontario Inst Canc Res, Toronto, ON M5G 0A3, Canada. [Ai, J.; Hu, S.; Wong, D. T.] Univ Calif Los Angeles, Sch Dent, Los Angeles, CA 90095 USA. [Ai, J.; Hu, S.; Wong, D. T.] Univ Calif Los Angeles, Dent Res Inst, Los Angeles, CA 90095 USA. [Arnaiz, O.; Sperling, Linda] CNRS, Ctr Genet Mol UPR3404, F-75794 Paris 16, France. [Blake, Andrew] MRC Harwell, Didcot OX11 0RD, Oxon, England. [Baldock, Richard; Haggarty, Bernard; Stevenson, Peter] Western Gen Hosp, MRC Human Genet Unit, Inst Genet & Mol Med, Edinburgh EH4 2XU, Midlothian, Scotland. [Chelala, Claude; Cutts, Rosalind J.; Gadaleta, E.] Queen Mary Univ London, Ctr Mol Oncol & Imaging, Barts Canc Inst, London E1 2AD, England. [Croft, David; Jones, Philip; Kinsella, R.; Luo, J.; Ndegwa, Nelson; Rosanoff, S.; Smedley, Damian] EMBL European Bioinformat Inst, Cambridge CB10 1SD, England. [Di Genova, A.] Univ Chile, Ctr Math Modeling, Blanco Enclada, Chile. [Di Genova, A.] Univ Chile, Ctr Genome Regulat, Blanco Enclada, Chile. [Forbes, Simon; Shepherd, Rebecca; Teague, J.] Wellcome Trust Sanger Inst, Canc Genome Project, Cambridge CB10 1SA, England. [Fujisawa, T.] Kasuza DNA Res Inst, Chiba 2920818, Japan. [Goodstein, D. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. [Goodstein, D. M.] Joint Genome Inst, Dept Energy, Walnut Creek, CA USA. [Gundem, Gunes; Lopez-Bigas, Nuria; Perez-Llamas, Christian] Univ Pompeu Fabra, Res Unit Biomed Informat, Dept Expt & Hlth Sci, Barcelona, Spain. [Haider, Syed] Univ Cambridge, Comp Lab, Cambridge CB3 0FD, England. [Hall, Matthew; Mason, Jeremy; Stone, Kevin] Jackson Lab, Mouse Genom Informat Grp, Bar Harbor, ME 04609 USA. [Harris, Todd; Spooner, William; Youens-Clark, Ken] Cold Spring Harbor Lab, Cold Spring Harbor, NY 11724 USA. [Hubbard, Simon] Univ Manchester, Fac Life Sci, Manchester M13 9PL, Lancs, England. [Iyer, Vivek; Oakley, Darren; Skarnes, B.] Wellcome Trust Sanger Inst, Hinxton CB10 1SD, S Cambs, England. [Katayama, Toshiaki] Univ Tokyo, Bunkyo Ku, Tokyo 1130033, Japan. [Kong, Lei; Wang, Jun] Peking Univ, Ctr Bioinformat, State Key Lab Prot & Plant Gene Res, Coll Life Sci, Beijing 100871, Peoples R China. [Lawson, Daniel] European Bioinformat Inst, VectorBase, Hinxton CB10 1SD, S Cambs, England. [Lush, Michael] European Bioinformat Inst EMBL EBI, HUGO Gene Nomenclature Comm HGNC, Hinxton CB10 1SD, S Cambs, England. [Moreews, Francois] INRA, F-75338 St Gilles, France. [Primig, Michael] Univ Rennes, INSERM, U625, F-35043 Rennes, France. [Simon, Reinhard] Int Potato Ctr CIP, Lima 1558, Peru. [Spooner, William] Eagle Genom Ltd, Cambridge CB22 3AT, England. RP Kasprzyk, A (reprint author), Ontario Inst Canc Res, Toronto, ON M5G 0A3, Canada. EM arek.kasprzyk@gmail.com RI primig, michael/G-3175-2013; Hubbard, Simon/B-9006-2009; Sperling, Linda/C-9734-2014; Gichora, Nelson /E-1749-2015; Lopez-Bigas, Nuria/F-6193-2011; Gasull, Martina/A-6630-2013; Haw, Robin/D-1393-2009; OI Croft, David/0000-0001-6363-8595; Gichora, Nelson /0000-0002-5853-879X; Lopez-Bigas, Nuria/0000-0003-4925-8988; Simon, Reinhard/0000-0002-4608-9077; Oakley, Darren/0000-0001-8075-3368; Rosanoff, Steven/0000-0002-4216-4674; Lawson, Daniel/0000-0001-7765-983X; Whitty, Brett/0000-0001-5776-5424; Hubbard, Simon/0000-0002-8601-9524; Haw, Robin/0000-0002-2013-7835; Yung, Christina/0000-0003-2958-150X; Baldock, Richard/0000-0003-0332-6877; chelala, claude/0000-0002-2488-0669; Sperling, Linda/0000-0002-7772-4774; /0000-0002-2796-5123 FU Ontario Institute for Cancer Research; Ontario Ministry for Research and Innovation FX The development of the BioMart software and the creation and hosting of BioMart Central Portal was supported by the Ontario Institute for Cancer Research and the Ontario Ministry for Research and Innovation. The individual data sources that Central Portal comprises are funded separately and independently. NR 25 TC 27 Z9 27 U1 2 U2 13 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1758-0463 J9 DATABASE-OXFORD JI Database PY 2011 AR bar041 DI 10.1093/database/bar041 PG 9 WC Mathematical & Computational Biology SC Mathematical & Computational Biology GA 883JQ UT WOS:000299630600043 ER PT J AU Washington, NL Stinson, EO Perry, MD Ruzanov, P Contrino, S Smith, R Zha, Z Lyne, R Carr, A Lloyd, P Kephart, E McKay, SJ Micklem, G Stein, LD Lewis, SE AF Washington, Nicole L. Stinson, E. O. Perry, Marc D. Ruzanov, Peter Contrino, Sergio Smith, Richard Zha, Zheng Lyne, Rachel Carr, Adrian Lloyd, Paul Kephart, Ellen McKay, Sheldon J. Micklem, Gos Stein, Lincoln D. Lewis, Suzanna E. TI The modENCODE Data Coordination Center: lessons in harvesting comprehensive experimental details SO DATABASE-THE JOURNAL OF BIOLOGICAL DATABASES AND CURATION LA English DT Article ID MICROARRAY DATA; CAENORHABDITIS-ELEGANS; FUNCTIONAL ELEMENTS; GENOME BROWSER; ONTOLOGY; PROJECT; SEQUENCE; IDENTIFICATION; UNIFICATION; INFORMATION AB The model organism Encyclopedia of DNA Elements (modENCODE) project is a National Human Genome Research Institute (NHGRI) initiative designed to characterize the genomes of Drosophila melanogaster and Caenorhabditis elegans. A Data Coordination Center (DCC) was created to collect, store and catalog modENCODE data. An effective DCC must gather, organize and provide all primary, interpreted and analyzed data, and ensure the community is supplied with the knowledge of the experimental conditions, protocols and verification checks used to generate each primary data set. We present here the design principles of the modENCODE DCC, and describe the ramifications of collecting thorough and deep metadata for describing experiments, including the use of a wiki for capturing protocol and reagent information, and the BIR-TAB specification for linking biological samples to experimental results. modENCODE data can be found at http://www.modencode.org. C1 [Perry, Marc D.; Ruzanov, Peter; Zha, Zheng; Stein, Lincoln D.] MaRS Ctr, Ontario Inst Canc Res, Toronto, ON M5G 0A3, Canada. [Washington, Nicole L.; Stinson, E. O.; Lloyd, Paul; Kephart, Ellen; Lewis, Suzanna E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. [Contrino, Sergio; Smith, Richard; Lyne, Rachel; Carr, Adrian; Micklem, Gos] Univ Cambridge, Dept Genet, Cambridge CB2 3EH, England. [McKay, Sheldon J.] Univ Arizona, BIO5 Inst, Tucson, AZ 85719 USA. RP Stein, LD (reprint author), MaRS Ctr, Ontario Inst Canc Res, South Tower,101 Coll St,Suite 800, Toronto, ON M5G 0A3, Canada. EM lincoln.stein@gmail.com OI Lloyd, Paul/0000-0003-3508-5553; Washington, Nicole/0000-0001-8936-9143; McKay, Sheldon/0000-0002-4011-3160; Micklem, Gos/0000-0002-6883-6168; Lewis, Suzanna/0000-0002-8343-612X FU National Human Genome Research Institute of the National Institutes of Health [HG004269-05]; Wellcome Trust [090297]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; Ontario Institute for Cancer Research FX This work was supported by the National Human Genome Research Institute of the National Institutes of Health [grant number HG004269-05], Wellcome Trust [grant number 090297], and by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Funding for open access charge: Ontario Institute for Cancer Research; Informatics and Bio-computing; 101 College Street, Suite 800; Toronto, Ontario M5G 0A3 Canada. NR 24 TC 11 Z9 12 U1 1 U2 2 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1758-0463 J9 DATABASE-OXFORD JI Database PY 2011 AR bar023 DI 10.1093/database/bar023 PG 17 WC Mathematical & Computational Biology SC Mathematical & Computational Biology GA 883JQ UT WOS:000299630600025 ER PT B AU Ku, T Mayne, PW Gutierrez, BJ AF Ku, Taeseo Mayne, P. W. Gutierrez, B. J. BE Chung, CK Kim, HK Lee, JS Jung, YH Kim, DS TI Hierarchy of V-s Modes and Stress-Dependency in Geomaterials SO DEFORMATION CHARACTERISTICS OF GEOMATERIALS, PTS 1 AND 2 LA English DT Proceedings Paper CT 5th International Symposium on Deformation Characteristics of Geomaterials (IS) CY SEP 01-03, 2011 CL Seoul, SOUTH KOREA DE anisotropy; directional property; K-0 lateral stresses; shear wave; small strain stiffness; stress state ID SHEAR-WAVE VELOCITY; STIFFNESS; ANISOTROPY; CROSSHOLE; DOWNHOLE; SANDS; TESTS; SOILS AB It is well-known that multiple types of shear waves exist in a given soil due to their directional and polarization properties. The different shear wave modes are related to small strain stiffness (Go) anisotropy in soils and the K-0 stress state. With respect to shear wave modes, this paper examines the common hierarchy and general trend of shear wave velocity (V-s) with different directions of propagation and particle motion from in-situ (i.e., crosshole, downhole, spectral analysis of surface waves) and laboratory bender element data. The data sets are collected from worldwide sites where stress state, stress history, and several modes of Vs profiles have been obtained. Two types of anisotropy ('inherent' or 'stress-induced') occur in soils. In this study, the stress-dependency of Vs in geomaterials is examined to observe site-specific trends and relationships for geostatic stress state. C1 [Ku, Taeseo; Mayne, P. W.] Georgia Inst Technol, Sch Civil & Environm Engn, Geosyst Engn Div, Atlanta, GA 30332 USA. [Gutierrez, B. J.] US DOE, Aiken, SC USA. RP Ku, T (reprint author), Georgia Inst Technol, Sch Civil & Environm Engn, Geosyst Engn Div, Atlanta, GA 30332 USA. FU U.S Department of Energy (DOE); Savannah River Site (SRS) FX This study is supported by the U.S Department of Energy (DOE) and the Savannah River Site (SRS). NR 41 TC 0 Z9 0 U1 0 U2 0 PU IOS PRESS PI AMSTERDAM PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS BN 978-1-60750-822-9; 978-1-60750-821-2 PY 2011 BP 533 EP 540 DI 10.3233/978-1-60750-822-9-533 PG 8 WC Engineering, Geological SC Engineering GA BG9RD UT WOS:000393696300051 ER PT J AU Al-Karaghouli, AA Kazmerski, LL AF Al-Karaghouli, Ali A. Kazmerski, L. L. BE Schorr, M TI Renewable Energy Opportunities in Water Desalination SO DESALINATION, TRENDS AND TECHNOLOGIES LA English DT Article; Book Chapter ID OF-THE-ART; SEAWATER RO DESALINATION; SOLAR-STILL; POWERED DESALINATION; PLANT; DISTILLATION; PERFORMANCE; PROTOTYPE; DESIGN; COST C1 [Al-Karaghouli, Ali A.; Kazmerski, L. L.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Al-Karaghouli, AA (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. NR 63 TC 5 Z9 5 U1 0 U2 0 PU INTECH EUROPE PI RIJEKA PA JANEZA TRDINE9, RIJEKA, 51000, CROATIA BN 978-953-307-311-8 PY 2011 BP 149 EP 184 D2 10.5772/583 PG 36 WC Engineering, Chemical; Water Resources SC Engineering; Water Resources GA BG0YE UT WOS:000386576400009 ER PT B AU Hillson, NJ AF Hillson, Nathan J. BE Koeppl, H Densmore, D Setti, G DiBernardo, M TI DNA Assembly Method Standardization for Synthetic Biomolecular Circuits and Systems SO DESIGN AND ANALYSIS OF BIOMOLECULAR CIRCUITS:ENGINEERING APPROACHES TO SYSTEMS AND SYNTHETIC BIOLOGY LA English DT Article; Book Chapter DE Synthetic biology; DNA assembly; BioBricks; SLIC; Gibson; CPEC; Golden Gate ID CLONING METHOD; ONE-POT AB As molecular biology tasks progress from single gene expression to the implementation of entire metabolic pathways and behavioral genetic circuitry, DNA assembly, the process of cloning/constructing a contiguous piece of DNA from a set of composite parts, poses an increasingly formidable challenge. Standardized DNA assembly methodologies have recently emerged that enable and facilitate part reuse, assembly design automation, and high-throughput physical assembly protocols. This chapter reviews the BioBrick, SLIC, Gibson, CPEC and Golden Gate methods, and compares and contrasts their respective strengths, limitations and extents of standardization. C1 Joint BioEnergy Inst, Emeryville, CA USA. RP Hillson, NJ (reprint author), Joint BioEnergy Inst, Emeryville, CA USA. EM njhillson@lbl.gov RI Hillson, Nathan/F-9957-2012 OI Hillson, Nathan/0000-0002-9169-3978 NR 14 TC 12 Z9 12 U1 1 U2 11 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY BN 978-1-4419-6765-7 PY 2011 BP 295 EP 314 DI 10.1007/978-1-4419-6766-4_14 D2 10.1007/978-1-4419-6766-4 PG 20 WC Engineering, Biomedical SC Engineering GA BVJ59 UT WOS:000291666800014 ER PT J AU Sabharwall, P Kim, ES AF Sabharwall, Piyush Kim, Eung Soo BE Bernardes, MAD TI High Temperature Thermal Devices for Nuclear Process Heat Transfer Applications SO DEVELOPMENTS IN HEAT TRANSFER LA English DT Article; Book Chapter C1 [Sabharwall, Piyush; Kim, Eung Soo] Idaho Natl Lab, Idaho Falls, ID 83402 USA. RP Sabharwall, P (reprint author), Idaho Natl Lab, Idaho Falls, ID 83402 USA. NR 24 TC 0 Z9 0 U1 0 U2 0 PU INTECH EUROPE PI RIJEKA PA JANEZA TRDINE9, RIJEKA, 51000, CROATIA BN 978-953-307-569-3 PY 2011 BP 309 EP 330 D2 10.5772/822 PG 22 WC Thermodynamics SC Thermodynamics GA BF9TL UT WOS:000385873100018 ER PT J AU Li, PW Van Lew, J Karaki, W Chan, CL Stephens, J O'Brien, JE AF Li, Pei Wen Van Lew, Jon Karaki, Wafaa Chan, Cho Lik Stephens, Jake O'Brien, James. E. BE Bernardes, MAD TI Transient Heat Transfer and Energy Transport in Packed Bed Thermal Storage Systems SO DEVELOPMENTS IN HEAT TRANSFER LA English DT Article; Book Chapter ID TROUGH POWER-PLANTS; PHASE-CHANGE; TRANSFER FLUIDS; TECHNOLOGY; PERFORMANCE; CAPSULES; DESIGN; ACID; AIR C1 [Li, Pei Wen; Van Lew, Jon; Karaki, Wafaa; Chan, Cho Lik] Univ Arizona, Dept Aerosp & Mech Engn, Tucson, AZ 85721 USA. [Stephens, Jake] US Solar Holdings LLC, Tucson, AZ 85719 USA. [O'Brien, James. E.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Li, PW (reprint author), Univ Arizona, Dept Aerosp & Mech Engn, Tucson, AZ 85721 USA. NR 57 TC 0 Z9 0 U1 0 U2 0 PU INTECH EUROPE PI RIJEKA PA JANEZA TRDINE9, RIJEKA, 51000, CROATIA BN 978-953-307-569-3 PY 2011 BP 373 EP 416 D2 10.5772/822 PG 44 WC Thermodynamics SC Thermodynamics GA BF9TL UT WOS:000385873100021 ER PT S AU Routbort, JL Singh, D Timofeeva, EV Yu, WH France, DM Smith, RK AF Routbort, Jules L. Singh, Dileep Timofeeva, Elena V. Yu, Wenhua France, David M. Smith, Roger K. BE Kriven, WM Gyekenyesi, AL Wang, J TI PUMPING POWER OF 50/50 MIXTURES OF ETHYLENE GLYCOL/WATER CONTAINING SiC NANOPARTICLES SO DEVELOPMENTS IN STRATEGIC MATERIALS AND COMPUTATIONAL DESIGN II SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 35th International Conference and Exposition on Advanced Ceramics and Composites CY JAN 23-28, 2011 CL Daytona Beach, FL SP Amer Ceram Soc, Engn Ceram Div, Amer Ceram Soc, Nucl & Environm Technol Div, Amer Ceram Soc AB The torque (proportional to the pumping power) of nanofluids containing 2.2 vol. % 29-nm and 4.0 vol.% 90-nm SiC nanoparticles in a 50/50 mixture of ethylene glycol/water have been measured in the turbulent flow regime at 30 +/- 1 degrees C. The results confirm the theoretical calculations of pumping power suggesting that the nanofluid can be treated as a single-phase material in a pumping system with elbows, expanders, and straight pipes. They also confirm the experimental finding that the torque for larger particles is smaller than for smaller particles, which is in agreement with the experimental result on the nanofluid viscosity decreasing with increase in the particle sizes. C1 [Routbort, Jules L.; Timofeeva, Elena V.; Yu, Wenhua; Smith, Roger K.] Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. [Singh, Dileep] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [France, David M.] Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA. RP Routbort, JL (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM routbort@anl.gov OI Timofeeva, Elena V./0000-0001-7839-2727 FU Office of Vehicle Technologies; Industrial Technology Program of the U.S. Department of Energy [DE-AC02-06CH11357] FX The authors are grateful to Dr. Steve Hartline of Saint-Gobain for supplying the SiC-waternanofluid. This work was sponsored by the Office of Vehicle Technologies and the Industrial Technology Program of the U.S. Department of Energy under contract number DE-AC02-06CH11357. NR 7 TC 0 Z9 0 U1 0 U2 0 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-118-09539-3; 978-1-118-17237-7 J9 CERAM ENG SCI PROC PY 2011 VL 32 BP 147 EP 152 PG 6 WC Materials Science, Ceramics; Materials Science, Composites SC Materials Science GA BG7ZT UT WOS:000392129100014 ER EF