FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Worden, AZ Lee, JH Mock, T Rouze, P Simmons, MP Aerts, AL Allen, AE Cuvelier, ML Derelle, E Everett, MV Foulon, E Grimwood, J Gundlach, H Henrissat, B Napoli, C McDonald, SM Parker, MS Rombauts, S Salamov, A Von Dassow, P Badger, JH Coutinho, PM Demir, E Dubchak, I Gentemann, C Eikrem, W Gready, JE John, U Lanier, W Lindquist, EA Lucas, S Mayer, KFX Moreau, H Not, F Otillar, R Panaud, O Pangilinan, J Paulsen, I Piegu, B Poliakov, A Robbens, S Schmutz, J Toulza, E Wyss, T Zelensky, A Zhou, K Armbrust, EV Bhattacharya, D Goodenough, UW Van de Peer, Y Grigoriev, IV AF Worden, Alexandra Z. Lee, Jae-Hyeok Mock, Thomas Rouze, Pierre Simmons, Melinda P. Aerts, Andrea L. Allen, Andrew E. Cuvelier, Marie L. Derelle, Evelyne Everett, Meredith V. Foulon, Elodie Grimwood, Jane Gundlach, Heidrun Henrissat, Bernard Napoli, Carolyn McDonald, Sarah M. Parker, Micaela S. Rombauts, Stephane Salamov, Aasf Von Dassow, Peter Badger, Jonathan H. Coutinho, Pedro M. Demir, Elif Dubchak, Inna Gentemann, Chelle Eikrem, Wenche Gready, Jill E. John, Uwe Lanier, William Lindquist, Erika A. Lucas, Susan Mayer, Klaus F. X. Moreau, Herve Not, Fabrice Otillar, Robert Panaud, Olivier Pangilinan, Jasmyn Paulsen, Ian Piegu, Benoit Poliakov, Aaron Robbens, Steven Schmutz, Jeremy Toulza, Eve Wyss, Tania Zelensky, Alexander Zhou, Kemin Armbrust, E. Virginia Bhattacharya, Debashish Goodenough, Ursula W. Van de Peer, Yves Grigoriev, Igor V. TI Green Evolution and Dynamic Adaptations Revealed by Genomes of the Marine Picoeukaryotes Micromonas SO SCIENCE LA English DT Article ID GENE-EXPRESSION; LAND PLANTS; ALGAE; CHLAMYDOMONAS; ENDOSYMBIOSIS; RIBOSWITCHES; PERSPECTIVE; METABOLISM; PROVIDES; ORIGIN AB Picoeukaryotes are a taxonomically diverse group of organisms less than 2 micrometers in diameter. Photosynthetic marine picoeukaryotes in the genus Micromonas thrive in ecosystems ranging from tropical to polar and could serve as sentinel organisms for biogeochemical fluxes of modern oceans during climate change. These broadly distributed primary producers belong to an anciently diverged sister clade to land plants. Although Micromonas isolates have high 18S ribosomal RNA gene identity, we found that genomes from two isolates shared only 90% of their predicted genes. Their independent evolutionary paths were emphasized by distinct riboswitch arrangements as well as the discovery of intronic repeat elements in one isolate, and in metagenomic data, but not in other genomes. Divergence appears to have been facilitated by selection and acquisition processes that actively shape the repertoire of genes that are mutually exclusive between the two isolates differently than the core genes. Analyses of the Micromonas genomes offer valuable insights into ecological differentiation and the dynamic nature of early plant evolution. C1 [Worden, Alexandra Z.; Simmons, Melinda P.; Cuvelier, Marie L.; McDonald, Sarah M.; Demir, Elif] Monterey Bay Aquarium Res Inst, Moss Landing, CA 95039 USA. [Lee, Jae-Hyeok; Goodenough, Ursula W.] Washington Univ, Dept Biol, St Louis, MO 63130 USA. [Mock, Thomas; Parker, Micaela S.; Armbrust, E. Virginia] Univ Washington, Sch Oceanog, Seattle, WA 98195 USA. [Rouze, Pierre; Rombauts, Stephane; Robbens, Steven; Van de Peer, Yves] Univ Ghent, Dept Plant Syst Biol, Flanders Inst Biotechnol VIB, B-9052 Ghent, Belgium. [Rouze, Pierre; Rombauts, Stephane; Robbens, Steven; Van de Peer, Yves] Univ Ghent, Dept Mol Genet, B-9052 Ghent, Belgium. [Aerts, Andrea L.; Grimwood, Jane; Salamov, Aasf; Dubchak, Inna; Lindquist, Erika A.; Lucas, Susan; Otillar, Robert; Pangilinan, Jasmyn; Poliakov, Aaron; Schmutz, Jeremy; Zhou, Kemin; Grigoriev, Igor V.] US DOE, JGI, Walnut Creek, CA 94598 USA. [Allen, Andrew E.; Badger, Jonathan H.] J Craig Venter Inst, San Diego, CA 92121 USA. [Cuvelier, Marie L.; Everett, Meredith V.] Univ Miami, Rosenstiel Sch Marine & Atmospher Sci, Miami, FL 33149 USA. [Derelle, Evelyne] Univ Paris 06, CNRS, Observ Oceanol, F-66651 Banyuls Sur Mer, France. [Foulon, Elodie; Von Dassow, Peter; Not, Fabrice] Univ Paris 06, CNRS, Stn Biol Roscoff, Roscoff, France. [Grimwood, Jane; Mayer, Klaus F. X.; Schmutz, Jeremy] Stanford Univ, Sch Med, Stanford Human Genome Ctr, Palo Alto, CA 94304 USA. [Gundlach, Heidrun; Coutinho, Pedro M.] German Res Ctr Environm Hlth, Inst Bioinformat & Syst Biol, D-85764 Neuherberg, Germany. [Henrissat, Bernard] Univ Aix Marseille 1, F-13288 Marseille, France. [Henrissat, Bernard] Univ Aix Marseille 2, F-13288 Marseille, France. [Napoli, Carolyn] Univ Arizona, Inst Biol, Tucson, AZ 85719 USA. [Gentemann, Chelle] Remote Sensing Syst, Santa Rosa, CA 95401 USA. [Eikrem, Wenche] Univ Oslo, N-0316 Oslo, Norway. [Gready, Jill E.] Australian Natl Univ, Coll Med Biol & Environm, Div Mol Biosci, Canberra, ACT 2601, Australia. [John, Uwe] Alfred Wegener Inst Polar & Marine Res, D-27570 Bremerhaven, Germany. [Lanier, William; Bhattacharya, Debashish] Univ Iowa, Dept Biol, Iowa City, IA 52242 USA. [Panaud, Olivier; Piegu, Benoit] Univ Perpignan, Lab Genome & Dev Plantes, F-66860 Perpignan, France. [Paulsen, Ian] Macquarie Univ, Dept Chem & Biomol Sci, N Ryde, NSW 2109, Australia. [Toulza, Eve] Univ Montpellier 2, F-34095 Montpellier 05, France. [Wyss, Tania] Univ Miami, Dept Biol, Miami, FL 33149 USA. [Zelensky, Alexander] Erasmus MC, Dept Genet, NL-3015 CE Rotterdam, Netherlands. RP Worden, AZ (reprint author), Monterey Bay Aquarium Res Inst, Moss Landing, CA 95039 USA. EM azworden@mbari.org RI Mock, Thomas/A-3127-2008; Van de Peer, Yves/D-4388-2009; von Dassow, Peter/A-5399-2012; Toulza, Eve /A-9919-2012; Zelensky, Alex/G-1201-2012; Henrissat, Bernard/J-2475-2012; Paulsen, Ian/K-3832-2012; Schmutz, Jeremy/N-3173-2013; Rombauts, Stephane/D-7640-2014; john, uwe/S-3009-2016; OI Mayer, Klaus/0000-0001-6484-1077; von Dassow, Peter/0000-0002-1858-1953; Mock, Thomas/0000-0001-9604-0362; Van de Peer, Yves/0000-0003-4327-3730; Toulza, Eve /0000-0003-2049-2279; Zelensky, Alex/0000-0002-2664-271X; Paulsen, Ian/0000-0001-9015-9418; Schmutz, Jeremy/0000-0001-8062-9172; Rombauts, Stephane/0000-0002-3985-4981; john, uwe/0000-0002-1297-4086; Parker, Micaela/0000-0003-1007-4612 FU DOE Biological and Environmental Research Program [DE-AC02-05CH11231, DE-AC52-07NA27344, DE-AC02-06NA25396, DEFC02-99ER62873]; NSF Molecular and Cellular Biosciences (MCB) [0326829, 0429359]; Gordon and Betty Moore Foundation; Lucille and David Packard Foundation FX We thank the Culture Collection for Marine Phytoplankton and Roscoff Culture Collection for providing isolates, in particular F. LeGall, A. Houdan, and D. Vaulot. We also thank R. Gausling, C. Perle, Q. Ren, D. Root, L. Stal, J. Van Wye, T. Weissman, R.M. Welsh, and U. Wollenzien. F. Partensky, N. Simon, P. Deschamps, and S. Ball facilitated chloroplast and starch (29) annotations; C. Rancurel and B. Cantarel assisted with carbohydrate-active enzymes (with CNRS funding). We are grateful to S. Giovannoni for thoughtful criticism of the manuscript and overall enthusiasm. Genome sequencing was performed under the DOE Biological and Environmental Research Program contracts DE-AC02-05CH11231, DE-AC52-07NA27344, DE-AC02-06NA25396, and DEFC02-99ER62873. U.W.G. and J.-H.L. were funded by NSF Molecular and Cellular Biosciences (MCB) grant 0326829. Funding carrying the project from inception to completion was provided by a Young Investigator in Marine Microbiology award to A.Z.W. from the Gordon and Betty Moore Foundation with additional funds from NSF MCB grant 0429359 and the Lucille and David Packard Foundation. A.Z.W. coordinated the project and annotation; A.Z.W. and U.W.G. wrote the manuscript with input and sections from J.-H.L., T.M., P.R., and M.P.S. (joint second authors are listed in alphabetical order), and Y.V.P. and D.B. performed intellectually based editing to which S. Rombauts and M.S.P. contributed; I.V.G. coordinated the sequencing and analysis at JGI. A.L.A., A.E.A., M.L.C., E. Derelle, M.V.E., E.F., J.G., H.G., B.H., C.N., S.M.M., M.S.P., S. Rombauts, A.S., and P.V.D. also made substantial contributions (listed in alphabetical order). J.H.B. and A.E.A. constructed the phylogenomic analysis tool. A.Z.W., E.V.A., K.F.X.M., U.W.G., and Y.V.P. supervised analyses; A.Z.W. conceived the study with input from D.B., H.M., and E.V.A. All others contributed as members of the Micromonas genome consortium or JGI sequencing and are listed in alphabetical order. RCC299 and CCMP1545 assemblies and annotations are available at www.jgi.doe.gov/MicromonasRCC299 and www.jgi.doe.gov/MicromonasCCMP1545, respectively. Genome assemblies together with predicted gene models and annotations were deposited at DNA Data Bank of Japan/European Molecular Biology Laboratory/GenBank under the project accession numbers ACCO00000000 and ACCP00000000 for RCC299 and CCMP1545, respectively. NR 28 TC 293 Z9 593 U1 11 U2 102 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 10 PY 2009 VL 324 IS 5924 BP 268 EP 272 DI 10.1126/science.1167222 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 430WX UT WOS:000265024400051 PM 19359590 ER PT J AU Karaca, HE Karaman, I Basaran, B Ren, Y Chumlyakov, YI Maier, HJ AF Karaca, Haluk E. Karaman, Ibrahim Basaran, Burak Ren, Yang Chumlyakov, Yuny I. Maier, Hans J. TI Magnetic Field-induced Phase Transformation in NiMnColn Magnetic Shape-Memory Alloys-A New Actuation Mechanism with Large Work Output SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID NI-MN-GA; SINGLE-CRYSTALS; INDUCED STRAIN; MARTENSITIC TRANSFORMATIONS; COMPRESSIVE RESPONSE; NI2MNGA; PSEUDOELASTICITY; CO49NI21GA30; TRANSITION; ORIENTATION AB Magnetic shape memory alloys (MSMAs) have recently been developed into a new class of functional materials that are capable of magnetic-field-induced actuation, mechanical sensing, magnetic refrigeration, and energy harvesting. In the present work, the magnetic field-induced martensitic phase transformation (FIPT) in Ni(45)Mn(36.5)Co(5)In(13.5) MSMA single crystals is characterized as a new actuation mechanism with potential to result in ultra-high actuation work outputs. The effects of the applied magnetic field on the transformation temperatures, magnetization, and superelastic response are investigated. The magnetic work output of NiMnColn alloys is determined to be more than 1 MJ m(-3) per Tesla, which is one order of magnitude higher than that of the most well-known MSMAs, i.e., NiMnGa alloys. In addition, the work output of NiMnColn alloys is orientation independent, potentially surpassing the need for single crystals, and not limited by a saturation magnetic field, as opposed to NiMnGa MSMAs. Experimental and theoretical transformation strains and magnetostress levels are determined as a function of crystal orientation. It is found that [111]-oriented crystals can demonstrate a magnetostress level of 140 MPa T(-1) with 1.2% axial strain under compression. These field-induced stress and strain levels are significantly higher than those from existing piezoelectric and magnetostrictive actuators. A thermodynamical framework is introduced to comprehend the magnetic energy contributions during FIPT. The present work reveals that the magnetic FIPT mechanism is promising for magnetic actuation applications and provides new opportunities for applications requiring high actuation work-outputs with relatively large actuation frequencies. One potential issue is the requirement for relatively high critical magnetic fields and field intervals (1.5-3T) for the onset of FIPT and for reversible FIPT, respectively. C1 [Karaca, Haluk E.; Karaman, Ibrahim] Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA. [Karaman, Ibrahim; Basaran, Burak] Texas A&M Univ, Mat Sci & Engn Grad Program, College Stn, TX 77843 USA. [Karaca, Haluk E.] Univ Kentucky, Dept Mech Engn, Lexington, KY 40506 USA. [Ren, Yang] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Chumlyakov, Yuny I.] Siberian Phys Techn Inst, Tomsk 634050, Russia. [Maier, Hans J.] Univ Paderborn, Lehrstuhl Werkstoffkunde, D-33095 Paderborn, Germany. RP Karaca, HE (reprint author), Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA. EM ikaraman@tamu.edu RI Karaman, Ibrahim/E-7450-2010; yuriy, chumlyakov/C-6033-2009; Chumlyakov, Yuriy/R-6496-2016 OI Karaman, Ibrahim/0000-0001-6461-4958; FU US Army Research Office [W911NF-06-1-0319]; National Science Foundation-Division of Civil, Mechanical, and Manufacturing Innovation [0709283]; Deutsche Forschungsgemeinschaft; US Department of Energy [DE-AC02-06CH11357] FX This work was supported by US Army Research Office, contract no W911NF-06-1-0319 (Program Director: Dr. David Stepp), National Science Foundation-Division of Civil, Mechanical, and Manufacturing Innovation, contract no. 0709283, and Deutsche Forschungsgemeinschaft. 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. NR 57 TC 147 Z9 151 U1 12 U2 96 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1616-301X J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD APR 9 PY 2009 VL 19 IS 7 BP 983 EP 998 DI 10.1002/adfm.200801322 PG 16 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 436EH UT WOS:000265394900001 ER PT J AU Ma, BW Kim, BJ Poulsen, DA Pastine, SJ Frechet, JMJ AF Ma, Biwu Kim, Bumjoon J. Poulsen, Daniel A. Pastine, Stefan J. Frechet, Jean M. J. TI Multifunctional Crosslinkable Iridium Complexes as Hole Transporting/Electron Blocking and Emitting Materials for Solution-Processed Multilayer Organic Light-Emitting Diodes SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID HIGH-EFFICIENCY; TRANSPORT MATERIALS; CONDUCTING POLYMER; DEVICES; LAYER; PERFORMANCE; EMISSION; LIGANDS; OLEDS; BLUE AB Here, a new series of crosslinkable heteroleptic iridium (III) complexes for use in solution processed phosphorescent organic light emitting diodes (OLEDs) is reported. These iridium compounds have the general formula of (PPZ-VB)(2)Ir((CN)-N-Lambda), where PPZ-VB is phenylpyrazole (PPZ) vinyl benzyl (VB) ether; and the (CN)-N-Lambda ligands represent a family of four different cyclometallating ligands including 1-phenylpyrazolyl (PPZ) (1), 2-(4,6-difluorophenyl)pyridyl (DFPPY) (2), 2-(p-tolyl)pyridyl (TPY) (3), and 2-phenylquinolyl (PQ) (4). With the incorporation of two crosslinkable VB ether groups, these compounds can be fully crosslinked after heating at 180 degrees C for 30 min. The crosslinked films exhibit excellent solvent resistance and film smoothness which enables fabrication of high-performance multilayer OLEDs by sequential solution processing of multiple layers. Furthermore, the photophysical properties of these compounds can be easily controlled by simply changing the cyclometallating (CN)-N-Lambda ligand in order to tune the triplet energy within the range of 3.0-2.2 eV. This diversity makes these materials not only suitable for use in hole transporting and electron blocking but also as emissive layers of several colors. Therefore, these compounds are applied as effective materials for all-solution processed OLEDs with (PPZ-VB)(2)IrPPZ (1) acting as hole transporting and electron blocking layer and host material, as well as three other compounds, (PPZ-VB)(2)IrDFPPY (2), (PPZ-VB)(2)IrTPY(3), and (PPZ-VB)(2)IrPQ(4), used as crosslinkable phosphorescent emitters. C1 [Ma, Biwu] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Ma, BW (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM frechet@berkeley.edu RI Ma, Biwu/B-6943-2012; Kim, Bumjoon J./C-1714-2011; OI Frechet, Jean /0000-0001-6419-0163 FU US Department of Energy [DE-AC02-05CH11231] FX The authors acknowledge financial support from the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the US Department of Energy under contract no. DE-AC02-05CH11231. NR 32 TC 44 Z9 45 U1 1 U2 40 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD APR 9 PY 2009 VL 19 IS 7 BP 1024 EP 1031 DI 10.1002/adfm.200801071 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 436EH UT WOS:000265394900005 ER PT J AU Kang, K Yoon, WS Park, S Moodenbaugh, AR Lewis, LH AF Kang, Kyongha Yoon, Won-Sub Park, Sangmoon Moodenbaugh, Arnold R. Lewis, Laura H. TI Unusual Lattice-Magnetism Connections in MnBi Nanorods SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID PHASE-TRANSFORMATION; NANOPARTICLES; SYSTEMS AB Lattice parameter, particle size, and thermal expansion results obtained from high-temperature synchrotron transmission X-ray diffraction are reported for magnetostructual NiAs-type MnBi nanorods embedded in a Bi matrix. The structural data are consistent with elevated-temperature magnetic measurements that indicate a first-order nanorod Curie transition at 520 K, significantly depressed from the bulk MnBi Curie temperature of 633 K. The data suggest that the unit cell volume dependence of the magnetic behavior-also known as the volume exchange striction-of the MnBi compound is the determining factor underlying this phenomenonon. The results imply that materials with magnetostructural transitions of technological interest may be altered by strain effects to tailor the interatomic distances towards the critical transition values. C1 [Park, Sangmoon; Lewis, Laura H.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Kang, Kyongha; Moodenbaugh, Arnold R.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Yoon, Won-Sub] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Kang, K (reprint author), Seagate Technol, Media Res Ctr, Fremont, CA 94539 USA. EM lhlewis@neu.edu RI Yoon, Won-Sub/H-2343-2011; OI Moodenbaugh, Arnold/0000-0002-3415-6762 FU U.S. Department of Energy [DE-AC02-98CH1-886] FX This manuscript has been authored by Brookhaven Science Associates, LLC under contract No. DE-AC02-98CH1-886 with the U.S. Department of Energy. the U.S. Government may reproduce, without charge, all or portions of this Contribution and may authorize others to do so, for official U.S. Government purposes only. Research is carried out in part at beamline X7B at the NSLS and in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Division of Materials Sciences and Division of Chemical Sciences. The authors thank L. Wu for assistance with TEM, D. O. Welch for discussions, and K. Y. Chung for discussions and beamline assistance. NR 39 TC 5 Z9 5 U1 2 U2 27 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD APR 9 PY 2009 VL 19 IS 7 BP 1100 EP 1105 DI 10.1002/adfm.200800879 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 436EH UT WOS:000265394900015 ER PT J AU Daschbach, JL Sun, XQ Chang, TM Thallapally, PK McGrail, BP Dang, LX AF Daschbach, John L. Sun, Xiuquan Chang, Tsun-Mei Thallapally, Praveen K. McGrail, B. Peter Dang, Liem X. TI Computational Studies of Load-Dependent Guest Dynamics and Free Energies of Inclusion for CO2 in Low-Density p-tert-Butylcalix[4]arene at Loadings up to 2:1 SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID DER-WAALS HOST; CARBON-DIOXIDE; MOLECULAR-DYNAMICS; SIMULATIONS; CRYSTALS; STORAGE; ARENE AB The structure, dynamics, and free energies of absorption Of CO2 by a low-density structure (P4/n) of calixarene p-tert-butylalix[4]arene (TBC4) at loadings up to 2:1 CO2:TBC4 have been studied by using molecular dynamics simulations with two sources of initial TBC4 structures (TBC4-T and TBC4-U). The CO2/TBC4 complex structure is very sensitive to the initial lattice spacing of TBC4. From the computed radial distribution functions Of CO2 molecules, a CO2 dimer is observed for TBC4-T and a cage-interstitial CO2 structure is suggested for TBC4-U. The dynamics of the CO2 molecules show little initial TBC4 structural dependency. The free energy of inclusion for a single CO2 in this TBC4 structure for various loadings is -4.0 kcal/mol at 300 K and -1.8 kcal/mol at 450 K, showing that CO2 inclusion is favored. The fully loaded 1:1 CO2:TBC4 system is slightly less favorable at -3.9 and - 1.2 kcal/mol at 300 and 450 K, respectively. The first CO2 added beyond 1:1 loading shows a significant drop in absorption energy to - 1.9 and + 1.9 kcal/mol at 300 and 450 K. These data are consistent with experimental results showing that low-density structures of TBC4 are able to absorb CO2 at loadings greater than 1:1 but retention is lower than for 1:1 loaded systems indicating the free energy of inclusion for addition of the CO2 above 1:1 is less favorable. C1 [Dang, Liem X.] Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Wisconsin Parkside, Dept Chem, Kenosha, WI 53141 USA. RP Dang, LX (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. RI thallapally, praveen/I-5026-2014 OI thallapally, praveen/0000-0001-7814-4467 FU U.S. Department of Energy (DOE); DOE's Office of Fossil Energy FX This work was performed at the Pacific Northwest National Laboratory (PNNL) and was supported by the Division of Chemical Sciences, Office of Basic Energy Sciences, U.S. Department of Energy (DOE). PNNL is. operated by Battelle for the DOE. P.B.M. and J.L.D. gratefully acknowledge support received from the National Energy Technology Laboratory of DOE's Office of Fossil Energy. NR 27 TC 4 Z9 4 U1 1 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 9 PY 2009 VL 113 IS 14 BP 3369 EP 3374 DI 10.1021/jp808490g PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 427UV UT WOS:000264805500009 PM 19281177 ER PT J AU Scanlon, LG Feld, WA Balbuena, PB Sandi, G Duan, X Underwood, KA Hunter, N Mack, J Rottmayer, MA Tsao, M AF Scanlon, L. G. Feld, W. A. Balbuena, P. B. Sandi, G. Duan, X. Underwood, K. A. Hunter, N. Mack, J. Rottmayer, M. A. Tsao, M. TI Hydrogen Storage Based on Physisorption SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; CARBON NANOTUBES; ADSORPTION; SYSTEM AB Physisorption of molecular hydrogen based on neutral and negatively charged aromatic molecular systems has been evaluated using A initio calculations to estimate the binding energy, Delta H, and Delta G at 298 (similar to 77 bar) and 77 K (45 bar) in order to compare calculated results with experimental measurements of hydrogen adsorption. The molecular systems used in this study were corannulene (C(20)H(10)), dicyclopenta[def, jkl]triphenylene (C(20)H(10)), 5,8-dioxo-5,8-dihydroindeno[2,1-c]fluorene (C(20)H(10)O(2)), 6-hexyl-5,8-dioxo-5,8-dihydroindeno[2,1-c]fluorene (C(26)H(22)O(2)), coronene (C(24)H(12)), dilithium phthalocyanine (LiPc, C(32)H(16)Li(2)N(8)), tetrabutylammonium lithium phthalocyanine (TBA-LiPc, C(48)H(52)LiN(9)), and tetramethylammonium lithium phthalocyanine (TMA-LiPc, C(36)H(28)LiN(9)). It was found (a) that the calculated term that corrects 0 K electronic energies to give Gibbs energies (thermal correction to Gibbs energy, TCGE) serves as a good approximation of the adsorbent binding energy required in order for a physisorption process to be thermodynamically allowed and (b) that the binding energy for neutral aromatic molecules varies as a function of curvature (e.g., corannulene versus coronene) or if electron-withdrawing or -donating groups are part of the adsorbent. A negatively charged aromatic ring, the lithium phthalocyanine complex anion, [LiPc](-), introduces charge-induced dipole interactions into the adsorption process, resulting in a doubling of the binding energy of Li(2)Pc relative to corannulene. Experimental hydrogen adsorption results for Li(2)Pc, which are consistent with MD simulation results using chi-Li(2)Pc to simulate the adsorbent, suggest that only one side of the phthalocyanine ring is used in the adsorption process. The introduction of a tetrabutylammonium cation as a replacement for one lithium ion in Li(2)Pc has the effect of increasing the number of hydrogen molecules adsorbed from 10 (3.80 wt %) for Li(2)Pc to 24 (5.93 wt %) at 77 K and 45 bar, suggesting that both sides of the phthalocyanine ring are available for hydrogen adsorption. MD simulations of layered tetramethylammonium lithium phthalocyanine molecular systems illustrate that doubling the wt % H(2) adsorbed is possible via such a system. Ab initio calculations also suggest that layered or sandwich structures can result in significant reductions in the pressure required for hydrogen adsorption. C1 [Scanlon, L. G.; Rottmayer, M. A.; Tsao, M.] USAF, Res Lab, Electrochem & Thermal Sci Branch, Wright Patterson AFB, OH 45433 USA. [Feld, W. A.; Underwood, K. A.; Hunter, N.] Wright State Univ, Dept Chem, Dayton, OH 45435 USA. [Balbuena, P. B.] Texas A&M Univ, Dept Chem Engn, College Stn, TX 77843 USA. [Sandi, G.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. [Duan, X.] USAF, Res Lab, Major Shared Resource Ctr, Wright Patterson AFB, OH 45433 USA. [Mack, J.] Univ Cincinnati, Dept Chem, Cincinnati, OH 45221 USA. RP Scanlon, LG (reprint author), USAF, Res Lab, Electrochem & Thermal Sci Branch, Wright Patterson AFB, OH 45433 USA. EM lawrence.scanlon@wpafb.af.mil FU DOE [DE-AC02-06CH11357] FX The authors would like to acknowledge hydrogen storage determinations done at Argonne National Laboratory, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, under DOE Contract DE-AC02-06CH11357. Computing resource were provided by the Air Force Research Laboratory, Major Shared Resource Center of DOD High Performance Computing Modernization Program. NR 23 TC 17 Z9 17 U1 0 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 9 PY 2009 VL 113 IS 14 BP 4708 EP 4717 DI 10.1021/jp809097v PG 10 WC Chemistry, Physical SC Chemistry GA 427UW UT WOS:000264805600029 PM 19275199 ER PT J AU Zhou, HJ Zhou, WP Adzic, RR Wong, SS AF Zhou, Hongjun Zhou, Wei-ping Adzic, Radoslav R. Wong, Stanislaus S. TI Enhanced Electrocatalytic Performance of One-Dimensional Metal Nanowires and Arrays Generated via an Ambient, Surfactantless Synthesis SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID WET CHEMICAL SYNTHESIS; OXYGEN-REDUCTION; GOLD NANORODS; NANOPARTICLE CATALYST; TUNGSTATE NANORODS; PLATINUM NANOWIRES; SILVER NANOWIRES; RAMAN-SCATTERING; COLLOIDAL GOLD; ASPECT-RATIO AB One-dimensional (1-D) metal (Ag, Au, and Pt) nanowires and their corresponding arrays have been synthesized using an ambient, surfactantless synthesis technique. The potential applicability of such crystalline, highly purified 1-D samples for practical uses was specifically demonstrated in their manifestation as electrocatalysts for an oxygen reduction reaction (ORR). Specifically, Pt 1-D nanostructures possessed a higher ORR activity as compared with that of Pt nanoparticles alone. Ag and Au nanowires also evinced reasonable ORR activity in alkaline solution. C1 [Zhou, Hongjun; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Zhou, Wei-ping; Adzic, Radoslav R.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Wong, SS (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM sswong@notes.cc.sunysb.edu RI Zhou, Hongjun/A-1304-2011; zhou, weiping/C-6832-2012; Thandavarayan, Maiyalagan/C-5716-2011 OI zhou, weiping/0000-0002-8058-7280; Thandavarayan, Maiyalagan/0000-0003-3528-3824 FU U.S. Department of Energy [DE-AC02-98CH10886]; National Science Foundation [DMR-0348239]; Alfred P. Sloan Foundation FX We acknowledge the U.S. Department of Energy (DE-AC02-98CH10886) for facility and personnel support. S.S.W. also thanks the National Science Foundation (CAREER Award DMR-0348239) and the Alfred P. Sloan Foundation for PI support and experimental supplies. Moreover, we are grateful to D. Wang (Boston College) for his assistance with electron microscopy as well as to J. Misewich for helpful discussions. NR 56 TC 66 Z9 66 U1 2 U2 33 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 9 PY 2009 VL 113 IS 14 BP 5460 EP 5466 DI 10.1021/jp811251j PG 7 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 427UX UT WOS:000264805700020 ER PT J AU Wittstock, A Neumann, B Schaefer, A Dumbuya, K Kubel, C Biener, MM Zielasek, V Steinruck, HP Gottfried, JM Biener, J Hamza, A Baumer, M AF Wittstock, Arne Neumann, Bjoern Schaefer, Andreas Dumbuya, Karifala Kuebel, Christian Biener, Monika M. Zielasek, Volkmar Steinrueck, Hans-Peter Gottfried, J. Michael Biener, Juergen Hamza, Alex Baeumer, Marcus TI Nanoporous Au: An Unsupported Pure Gold Catalyst? SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID CO OXIDATION; CARBON-MONOXIDE; BIMETALLIC NANOPARTICLES; SURFACE CHARACTERIZATION; MECHANICAL-BEHAVIOR; MESOPOROUS SUPPORT; AU(110)-(1 X-2); ATOMIC OXYGEN; AG; ADSORPTION AB The unique properties of gold especially in low temperature CO oxidation have been ascribed to a combination of various effects. In particular, particle sizes below a few nanometers and specific particle-support interactions have been shown to play important roles. In contrast, recent reports revealed that monolithic nanoporous gold (npAu) prepared by leaching a less noble metal, such as Ag, out of the corresponding alloy can also exhibit a remarkably high catalytic activity for CO oxidation, even though no support is present. Therefore, it was claimed to be a pure and unsupported gold catalyst. We investigated npAu with respect to its morphology, surface composition, and catalytic properties. In particular, we studied the reaction kinetics for low temperature CO oxidation in detail, taking the mass transport limitation due to the porous structure of the material into account. Our results reveal that Ag, even if removed almost completely from the bulk, segregates to the surface, resulting in surface concentrations of up to 10 atom %. Our data suggest that this Ag plays a significant role in activating of molecular oxygen. Therefore, npAu should be considered a bimetallic catalyst rather than a pure Au catalyst. C1 [Dumbuya, Karifala; Steinrueck, Hans-Peter; Gottfried, J. Michael] Univ Erlangen Nurnberg, Lehrstuhl Phys Chem 2, D-91058 Erlangen, Germany. [Wittstock, Arne; Neumann, Bjoern; Schaefer, Andreas; Zielasek, Volkmar; Baeumer, Marcus] Univ Bremen, Inst Appl & Phys Chem, D-28359 Bremen, Germany. [Biener, Monika M.; Hamza, Alex] Lawrence Livermore Natl Lab, Nanoscale Synth & Characterizat Lab, Livermore, CA 94550 USA. [Kuebel, Christian] Fraunhofer Inst Mfg Technol & Appl Mat Sci IFAM, Adhes Bonding & Surfaces Div, D-28359 Bremen, Germany. RP Gottfried, JM (reprint author), Univ Erlangen Nurnberg, Lehrstuhl Phys Chem 2, D-91058 Erlangen, Germany. EM michael.gottfried@chemie.uni-erlangen.de; biener2@llnl.gov; mbaeumer@uni-bremen.de RI Steinruck, Hans-Peter/A-6341-2011; Schaefer, Andreas/D-4919-2012; Baumer, Marcus/S-5441-2016; OI Steinruck, Hans-Peter/0000-0003-1347-8962; Schaefer, Andreas/0000-0001-6578-5046; Baumer, Marcus/0000-0002-8620-1764; Kuebel, Christian/0000-0001-5701-4006 FU Lawrence Livermore National Laboratory; U.S. DOE [DE-AC52-07NA27344]; Deutsche Forschungsgemeinschaft [GO1812/1-1] FX M.B. acknowledges a DFG travel grant for a research stay at the Lawrence Livermore National Laboratory. Work at LLNL was performed under the auspices of the U.S. DOE by LLNL under Contract No. DE-AC52-07NA27344. The in situ XPS measurements were supported by the Deutsche Forschungsgemeinschaft under Grant GO1812/1-1. We thank Martina Hank and Andreas Bachmeier for technical assistance in some of the XPS measurements. NR 58 TC 132 Z9 134 U1 10 U2 104 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 EI 1932-7455 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 9 PY 2009 VL 113 IS 14 BP 5593 EP 5600 DI 10.1021/jp808185v PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 427UX UT WOS:000264805700039 ER PT J AU Wang, R Crozier, PA Sharma, R AF Wang, Ruigang Crozier, Peter A. Sharma, Renu TI Structural Transformation in Ceria Nanoparticles during Redox Processes SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID ELECTRON-BEAM; OXIDES; REDUCTION; CATALYSTS; DEFECTS; OXYGEN AB Using an environmental transmission electron microscope, we followed and characterized the in situ atomic-level redox processes in individual ceria nanoparticles. This is a critical step to understand the redox functionality of catalytically active ceria-based oxide supports in many applications of catalysis. The dynamic redox processes were monitored by simultaneous determination of the structure and chemistry by using high-resolution imaging, electron diffraction, and electron energy loss spectroscopy (EELS). For crystallites with an average size of 20 nm, oxygen vacancies present in the reduced ceria undergo rapid ordering leading to the immediate formation of Ce(2)O(3). The reduced ceria has C-type structure in which the lattice parameter is doubled compare to that of the parent fluorite phase. The structural transformation is easily reversible during reoxidation and does not appear to involve any intermediate superstructure phases. The ease of the reversibility is important because it provides the structural mechanism for the rapid storage and release of oxygen that takes place in ceria in redox applications. C1 [Wang, Ruigang; Crozier, Peter A.; Sharma, Renu] Arizona State Univ, Sch Mat, Tempe, AZ 85287 USA. [Wang, Ruigang] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Wang, R (reprint author), Arizona State Univ, Sch Mat, Tempe, AZ 85287 USA. EM rgwang@lbl.gov; crozier@asu.edu RI Wang, Ruigang/C-2769-2011 FU National Science Foundation [NSF-CTS-0306688] FX We deeply thank Dr. Eberhard Schweda (Universitdt Tiibingen, Institut ftir Anorganische Chemie) for stimulating discussions. The support from the National Science Foundation (NSF-CTS-0306688) and the use of TEM at the John M. Cowley Center for High Resolution Microscopy at Arizona State University are gratefully acknowledged. NR 27 TC 35 Z9 36 U1 3 U2 44 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 9 PY 2009 VL 113 IS 14 BP 5700 EP 5704 DI 10.1021/jp8107232 PG 5 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 427UX UT WOS:000264805700052 ER PT J AU Zhou, SH Ma, Z Yin, HF Wu, ZL Eichhorn, B Overbury, SH Dai, S AF Zhou, Shenghu Ma, Zhen Yin, Hongfeng Wu, Zili Eichhorn, Bryan Overbury, Steven H. Dai, Sheng TI Low-Temperature Solution-Phase Synthesis of NiAu Alloy Nanoparticles via Butyllithium Reduction: Influences of Synthesis Details and Application As the Precursor to Active Au-NiO/SiO2 Catalysts through Proper Pretreatment SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID CORE-SHELL NANOPARTICLES; PD-ZR ALLOY; GOLD NANOPARTICLES; AU CATALYSTS; HYDROGEN-PEROXIDE; CARBON-MONOXIDE; INTERMETALLIC COMPOUNDS; BIMETALLIC CATALYSTS; SURFACE MODIFICATION; MESOPOROUS SUPPORT AB Bimetallic nanoparticles (NPs) have wide applications in electronics, photonics, and catalysis. However, it is particularly challenging to synthesize size-controllable alloy nanoparticles (e.g., NiAu) with bulk immiscible metals as the components. Here we report the synthesis of isolable NiAu alloy nanoparticles with tunable and relatively uniform sizes via a coreduction method employing butyllithium as the reducing agent and trioctylphosphine as the protecting agent. The influences of synthesis conditions (e.g., protecting agent, aging temperature, and the solvent used to wash the product) were investigated, and the synthesis mechanism was preliminarily surveyed. The NiAu alloy nanoparticles obtained were then used as the precursor to prepare an Au-NiO/SiO2 catalyst highly active in low-temperature CO oxidation, and the effects of pretreatment details and catalyst compositions on catalytic activity were studied. Relevant characterization employing XRD, TEM, UV-vis, TG/DTG, and FT-IR was conducted. In addition, the importance of the current synthesis of NiAu alloy NPs and the contribution of the catalyst design were discussed in the context of the literature. C1 [Zhou, Shenghu; Ma, Zhen; Yin, Hongfeng; Wu, Zili; Overbury, Steven H.; Dai, Sheng] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Zhou, Shenghu; Ma, Zhen; Yin, Hongfeng; Wu, Zili; Overbury, Steven H.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Zhou, Shenghu] Tongji Univ, Inst Adv Mat & Nano Biomed, Shanghai 200092, Peoples R China. [Eichhorn, Bryan] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA. RP Dai, S (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM dais@ornl.gov RI Ma, Zhen/F-1348-2010; Wu, Zili/F-5905-2012; Overbury, Steven/C-5108-2016; Dai, Sheng/K-8411-2015 OI Ma, Zhen/0000-0002-2391-4943; Wu, Zili/0000-0002-4468-3240; Overbury, Steven/0000-0002-5137-3961; Dai, Sheng/0000-0002-8046-3931 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC05-00OR22725] FX Research was sponsored by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy, under contract DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC. A portion of this research was carried out at Oak Ridge National Laboratory's Center for Nanophase Materials Sciences and was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. S.Z., Z.M., and H.Y. are sponsored by an appointment to the ORNL Research Associates Program administered jointly by Oak Ridge Associated Universities and Oak Ridge National Laboratory. NR 84 TC 32 Z9 35 U1 8 U2 67 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 9 PY 2009 VL 113 IS 14 BP 5758 EP 5765 DI 10.1021/jp811411y PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 427UX UT WOS:000264805700059 ER PT J AU Mudiyanselage, K Yi, CW Szanyi, J AF Mudiyanselage, Kumudu Yi, Cheol-Woo Szanyi, Janos TI Oxygen Coverage Dependence of NO Oxidation on Pt(111) SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID HIGH-RESOLUTION XPS; EXCHANGE REACTION; NITROGEN-DIOXIDE; MOLECULAR-BEAM; ATOMIC OXYGEN; NITRIC-OXIDE; ADSORPTION; SURFACE; CHEMISORPTION; AES AB The interaction of NO with adsorbed atomic oxygen on Pt(111) was studied with temperature programmed desorption (TPD), infrared reflection absorption spectroscopy (IRAS), and low-energy electron diffraction (LEED). Atomic oxygen adlayers with 0.25 and 0.75 ML coverages were prepared on a Pt(111) single crystal by dissociative chemisorption of O-2 at 300 K and NO2 at 400 K, respectively. These two oxygen precovered surfaces were used to study the oxygen coverage dependence of NO oxidation at different sample temperatures. The well-ordered p(2 x 2)-O layer, corresponding to Theta(o) = 0.25 ML, does not react with NO to form NO2 in the temperature range 350-500 K, in contrast to CO oxidation, which takes place readily at a sample temperature as low as 300 K. At Theta(o) = 0.75 ML the NO oxidation reaction is facile, and the formation of NO2 is observed even at 150 K. However, the NO oxidation reaction completely stops as the atomic oxygen coverage drops below 0.28 ML, because all the weakly bound oxygen atoms available only at higher O coverages have been consumed. The remaining oxygen atoms are bound too strongly to the Pt(111) surface and, therefore, unable to participate in NO oxidation in the 150-500 K temperature range. C1 [Mudiyanselage, Kumudu; Szanyi, Janos] Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. [Yi, Cheol-Woo] Sungshin Womens Univ, Dept Chem, Seoul 136742, South Korea. [Yi, Cheol-Woo] Sungshin Womens Univ, Inst Basic Sci, Seoul 136742, South Korea. RP Szanyi, J (reprint author), Pacific NW Natl Lab, Inst Interfacial Catalysis, POB 999,MSIN K8-87, Richland, WA 99352 USA. EM janos.szanyi@pnl.gov RI Mudiyanselage, Kumudu/B-2277-2013; Yi, Cheol-Woo/B-3082-2010 OI Mudiyanselage, Kumudu/0000-0002-3539-632X; Yi, Cheol-Woo/0000-0003-4549-5433 FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences; U.S. DOE by Battelle Memorial Institute [DE-AC05-76RLO 1830]; Sungshin Women's University Research Grant of 2008 FX We gratefully acknowledge the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, for the support of this work. The research described in this paper was performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the U.S. DOE by Battelle Memorial Institute under contract number DE-AC05-76RLO 1830. CW.Y. also acknowledges the Support of this work by Sungshin Women's University Research Grant of 2008. NR 41 TC 14 Z9 14 U1 2 U2 19 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 9 PY 2009 VL 113 IS 14 BP 5766 EP 5776 DI 10.1021/jp811520u PG 11 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 427UX UT WOS:000264805700060 ER PT J AU Paolone, A Palumbo, O Rispoli, P Cantelli, R Autrey, T AF Paolone, Annalisa Palumbo, Oriele Rispoli, Pasquale Cantelli, Rosario Autrey, Tom TI Hydrogen Dynamics and Characterization of the Tetragonal-to-Orthorhombic Phase Transformation in Ammonia Borane SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID ANELASTIC SPECTROSCOPY; THERMAL-DECOMPOSITION; MOLECULAR-DYNAMICS; DIHYDROGEN BOND; CARBON CRYOGEL; AMINE BORANES; HIGH-PRESSURE; STORAGE; BH3NH3; NMR AB The anelastic spectrum of ammonia borane (NH(3)BH(3)) was measured in the temperature range between 1.3 and 300 K. The structural phase transition near 220 K is accompanied by a substantial variation of the elastic modulus (25-30%) and a spike of the elastic energy dissipation. The order-disorder phase transformation that occurs with a minute hysteresis, 0.4 K between heating and cooling, is indicative of a first-order phase transformation with a narrow region of coexistence between the two phases. The kinetics of the transition was investigated in detail. In addition, a thermally activated relaxation peak is revealed around 100 K for a sample vibration frequency of similar to 1 kHz, which is attributed to the dynamics of the rotations and torsions of the NH(3)-BH(3) groups. Finally, the time-dependent energy loss on heating after aging the sample below the structural phase-transformation temperature was interpreted in terms of annealing of dislocations. C1 [Paolone, Annalisa; Palumbo, Oriele] Univ Roma La Sapienza, Dipartimento Fis, CNISM, I-00185 Rome, Italy. [Paolone, Annalisa] CNR INFM, Lab Reg SuperMAT, Salerno, Italy. [Autrey, Tom] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Paolone, A (reprint author), Univ Roma La Sapienza, Dipartimento Fis, CNISM, Piazzale A Moro 2, I-00185 Rome, Italy. EM Annalisa.Paolone@roma1.infn.it RI Paolone, Annalisa/B-7701-2015; Palumbo, Oriele/B-7694-2015; OI Paolone, Annalisa/0000-0002-4839-7815; Palumbo, Oriele/0000-0003-4968-1049 FU Italian Ministero dell'Ambiente; U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Chemical Sciences Division FX The present study was supported by the Italian Ministero dell'Ambiente. T.A. wishes to acknowledge support from the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Chemical Sciences Division. PNNL is operated by Battelle for the U.S. DOE. NR 32 TC 31 Z9 31 U1 0 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 9 PY 2009 VL 113 IS 14 BP 5872 EP 5878 DI 10.1021/jp810708g PG 7 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 427UX UT WOS:000264805700073 ER PT J AU Contescu, CI Brown, CM Liu, Y Bhat, VV Gallego, NC AF Contescu, Cristian I. Brown, Craig M. Liu, Yun Bhat, Vinay V. Gallego, Nidia C. TI Detection of Hydrogen Spillover in Palladium-Modified Activated Carbon Fibers during Hydrogen Adsorption SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID INELASTIC NEUTRON-SCATTERING; HETEROGENEOUS CATALYSIS; PLATINUM NANOPARTICLES; STORAGE; NANOTUBES; GRAPHITE; SPECTRA; STATES AB Palladium-modified activated carbon fibers (Pd-ACF) are being evaluated for adsorptive hydrogen storage at near-ambient conditions because of their enhanced hydrogen uptake in comparison to Pd-free ACF. The net uptake enhancement (at room temperature and 2 MPa) is in excess of the amount corresponding to formation of beta-Pd hydride and is usually attributed to hydrogen spillover. In this paper, inelastic neutron scattering was used to investigate the state of hydrogen in Pd-containing activated carbon fibers loaded at 77 K with 2.5 wt % H(2). It was found that new C-H bonds were formed, at the expense of physisorbed H(2), during prolonged in situ exposure to 1.6 MPa hydrogen at 20 degrees C. This finding is a postfacturn proof of the atomic nature of H species formed in presence of a Pd catalyst and of their subsequent spillover and binding to the carbon support. Chemisorption of hydrogen may explain the reduction in hydrogen uptake from first to second adsorption cycle. C1 [Contescu, Cristian I.; Bhat, Vinay V.; Gallego, Nidia C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Brown, Craig M.; Liu, Yun] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Liu, Yun] Univ Maryland, College Pk, MD 20742 USA. RP Contescu, CI (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd,POB 2008,MS-6087, Oak Ridge, TN 37831 USA. EM contescuci@ornl.gov RI Liu, Yun/A-2478-2010; Contescu, Cristian/E-8880-2011; Liu, Yun/F-6516-2012; Brown, Craig/B-5430-2009; OI Liu, Yun/0000-0002-0944-3153; Contescu, Cristian/0000-0002-7450-3722; Liu, Yun/0000-0002-0944-3153; Brown, Craig/0000-0002-9637-9355; Gallego, Nidia/0000-0002-8252-0194 NR 38 TC 89 Z9 90 U1 7 U2 45 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 9 PY 2009 VL 113 IS 14 BP 5886 EP 5890 DI 10.1021/jp900121k PG 5 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 427UX UT WOS:000264805700075 ER PT J AU Nag, A Monine, MI Faeder, JR Goldstein, B AF Nag, Ambarish Monine, Michael I. Faeder, James R. Goldstein, Byron TI Aggregation of Membrane Proteins by Cytosolic Cross-Linkers: Theory and Simulation of the LAT-Grb2-SOS1 System SO BIOPHYSICAL JOURNAL LA English DT Article ID FC-EPSILON-RI; RECEPTOR TYROSINE KINASES; T-CELL-RECEPTOR; ADAPTER PROTEIN; SIGNAL-TRANSDUCTION; STOCHASTIC SIMULATION; MOLECULAR-CLONING; SURFACE RECEPTORS; ANTIGEN RECEPTOR; IGE RECEPTOR AB Ligand-induced receptor aggregation is a well-known mechanism for initiating intracellular signals but oligomerization of distal signaling molecules may also be required for signal propagation. Formation of complexes containing oligomers of the transmembrane adaptor protein, linker for the activation of T cells (LAT), has been identified as critical in mast cell and T cell activation mediated by immune response receptors. Cross-linking of LAT arises from the formation of a 2:1 complex between the adaptor Grb2 and the nucleotide exchange factor SOS1, which bridges two LAT molecules through the interaction of the Grb2 SH2 domain with a phosphotyrosine on LAT. We model this oligomerization and find that the valence of LAT for Grb2, which ranges from zero to three, is critical in determining the nature and extent of aggregation. A dramatic rise in oligomerization can occur when the valence switches from two to three. For valence three, an equilibrium theory predicts the possibility of forming a gel-like phase. This prediction is confirmed by stochastic simulations, which make additional predictions about the size of the gel and the kinetics of LAT oligomerization. We discuss the model predictions in light of recent experiments on RBL-2H3 and Jurkat E6.1 cells and suggest that the gel phase has been observed in activated mast cells. C1 [Nag, Ambarish; Monine, Michael I.; Goldstein, Byron] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Div Theoret, Los Alamos, NM 87545 USA. [Monine, Michael I.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Faeder, James R.] Univ Pittsburgh, Sch Med, Dept Computat Biol, Pittsburgh, PA USA. RP Goldstein, B (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Div Theoret, Los Alamos, NM 87545 USA. EM bxg@lanl.gov FU Department of Energy [W-7405-ENG-36]; National Institutes of Health [R37-GM035556] FX This work Was Supported by the Department of Energy through contract No. W-7405-ENG-36, and National Institutes of Health grain No. R37-GM035556. The authors have no financial conflict of interest. NR 52 TC 31 Z9 31 U1 0 U2 5 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD APR 8 PY 2009 VL 96 IS 7 BP 2604 EP 2623 DI 10.1016/j.bpj.2009.01.019 PG 20 WC Biophysics SC Biophysics GA 450BV UT WOS:000266376900007 PM 19348745 ER PT J AU Long, CN Dutton, EG Augustine, JA Wiscombe, W Wild, M McFarlane, SA Flynn, CJ AF Long, C. N. Dutton, E. G. Augustine, J. A. Wiscombe, W. Wild, M. McFarlane, S. A. Flynn, C. J. TI Significant decadal brightening of downwelling shortwave in the continental United States SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID RADIATION BUDGET NETWORK; SURFACE SOLAR-RADIATION; OPTICAL DEPTH; EARTHS SURFACE; TRENDS; IRRADIANCE; RADIOMETER; SURFRAD; COVER; TESTS AB We conduct analyses of all-sky and clear-sky surface downwelling shortwave radiation and bulk cloud properties using data from several Department of Energy Atmospheric Radiation Measurement (ARM) Program and National Oceanic and Atmospheric Administration Surface Radiation (SURFRAD) network sites spanning the years 1995 through 2007. Five ARM sites are aggregated to study downwelling shortwave tendencies on global circulation model grid scales, and then six SURFRAD sites plus the central ARM site are aggregated to study the wider scale of the continental United States. We show that widespread brightening has occurred over the continental United States as represented by these measurements over the 12 years of the study, averaging,about 8 W m(2)/decade for the all-sky shortwave and 5 W m2/decade for the clear-sky shortwave. This all-sky increase is substantially greater than the 2 W m(2)/decade previously reported over much more of the globe as represented by data from the Global Energy Balance Archive spanning 1986-2000 and is more than twice the magnitude of the corresponding 1986-2000 2-3 W m(2)/decade increase in downwelling longwave. Our results show that changes in dry aerosols and/or direct aerosol effects alone cannot explain the observed changes in surface shortwave (SW) radiation, but it is likely that changes in cloudiness play a significant role. These SW increases are accompanied by decreasing tendencies in cloudiness, and an increasing tendency in the clear-sky SW diffuse/direct ratio that is often associated with atmospheric turbidity. However, given the many local influences, evidence presented here suggests that the determination of the causes of decadal changes in the downwelling solar radiation at the surface are better studied locally and regionally, rather than on a global or continental scale. C1 [Long, C. N.; McFarlane, S. A.; Flynn, C. J.] Pacific NW Natl Lab, Climate Phys Grp, Richland, WA 99352 USA. [Dutton, E. G.; Augustine, J. A.] NOAA, ESRL, Global Monitoring Div, Boulder, CO 80305 USA. [Wild, M.] ETH, Inst Atmospher & Climate Sci, CH-8092 Zurich, Switzerland. [Wiscombe, W.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Long, CN (reprint author), Pacific NW Natl Lab, Climate Phys Grp, POB 999,MS K9-24, Richland, WA 99352 USA. EM chuck.long@pnl.gov; ells.dutton@noaa.gov; john.a.augustine@noaa.gov; wwiscomb@bnl.gov; martin.wild@env.ethz.ch; sally.mcfarlane@pnl.gov; connor.flynn@pnl.gov RI McFarlane, Sally/C-3944-2008; Wild, Martin/J-8977-2012; Wiscombe, Warren/D-4665-2012 OI Wiscombe, Warren/0000-0001-6844-9849 FU Office of Science (BER) of the U.S. Department of Energy; OAA Climate Goal; NASA Radiation Projects Office; Swiss National Centre for Competence in Climate Research (NCCR Climate) FX The authors acknowledge the support of the Office of Science (BER) of the U.S. Department of Energy as part of the ARM Program. The NOAA contributions are supported by the NOAA Climate Goal and the NASA Radiation Projects Office. M. Wild acknowledges the support of the Swiss National Centre for Competence in Climate Research (NCCR Climate). Recognition is also extended to those responsible for the operation and maintenance of the instruments that produced die data used in this study; their diligent and dedicated efforts are often underappreciated. NR 50 TC 53 Z9 53 U1 1 U2 8 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD APR 8 PY 2009 VL 114 AR D00D06 DI 10.1029/2008JD011263 PG 20 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 431YZ UT WOS:000265102000004 ER PT J AU Manson, JL Stone, KH Southerland, HI Lancaster, T Steele, AJ Blundell, SJ Pratt, FL Baker, PJ McDonald, RD Sengupta, P Singleton, J Goddard, PA Lee, C Whangbo, MH Warter, MM Mielke, CH Stephens, PW AF Manson, Jamie L. Stone, Kevin H. Southerland, Heather I. Lancaster, Tom Steele, Andrew J. Blundell, Stephen J. Pratt, Francis L. Baker, Peter J. McDonald, Ross D. Sengupta, Pinaki Singleton, John Goddard, Paul A. Lee, Changhoon Whangbo, Myung-Hwan Warter, Michelle M. Mielke, Charles H. Stephens, Peter W. TI Characterization of the Antiferromagnetism in Ag(pyz)(2)(S2O8) (pyz = Pyrazine) with a Two-Dimensional Square Lattice of Ag2+ Ions SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MOLECULAR-STRUCTURE; MAGNETIC-BEHAVIOR; HEISENBERG-MODEL; SPIN; CRYSTAL; SILVER(II); COMPLEXES AB X-ray powder diffraction and magnetic susceptibility measurements show that Ag(pyz)(2)(S2O8) consists of 2D square nets of Ag2+ ions resulting from the corner-sharing of axially elongated AgN4O2 octahedra and exhibits characteristic 2D antiferromagnetism. Nevertheless, mu+SR measurements indicate that Ag(pyz)(2)(S2O8) undergoes 3D magnetic ordering below 7.8(3) K. C1 [Manson, Jamie L.; Southerland, Heather I.; Warter, Michelle M.] Eastern Washington Univ, Dept Chem & Biochem, Cheney, WA 99004 USA. [Stone, Kevin H.; Stephens, Peter W.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Lancaster, Tom; Steele, Andrew J.; Blundell, Stephen J.; Baker, Peter J.; Goddard, Paul A.] Univ Oxford, Clarendon Lab, Oxford OX1 3PU, England. [Lancaster, Tom; Steele, Andrew J.; Blundell, Stephen J.; Baker, Peter J.; Goddard, Paul A.] Univ Oxford, Dept Phys, Oxford OX1 3PU, England. [Pratt, Francis L.] Rutherford Appleton Lab, ISIS Pulsed Muon Facil, Didcot OX11 0QX, Oxon, England. [McDonald, Ross D.; Sengupta, Pinaki; Singleton, John; Mielke, Charles H.] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. [McDonald, Ross D.; Sengupta, Pinaki; Singleton, John; Mielke, Charles H.] Los Alamos Natl Lab, Div Theoret, 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, Cheney, WA 99004 USA. EM jmanson@ewu.edu RI Baker, Peter/E-4216-2010; McDonald, Ross/H-3783-2013; Goddard, Paul/A-8638-2015; Sengupta, Pinaki/B-6999-2011; Stone, Kevin/N-9311-2016; Mielke, Charles/S-6827-2016; OI Baker, Peter/0000-0002-2306-2648; McDonald, Ross/0000-0002-0188-1087; Goddard, Paul/0000-0002-0666-5236; Stone, Kevin/0000-0003-1387-1510; Mielke, Charles/0000-0002-2096-5411; Mcdonald, Ross/0000-0002-5819-4739 FU Research Corporation; Office of Basic Energy Sciences (BES), Division of Materials Sciences, U.S. Department of Energy (DOE) [DE-FG02-86ER45259, DE-AC02-8CH10886]; EPSRC, UK FX Work at EWU was supported by an award from Research Corporation and at NCSU by the Office of Basic Energy Sciences (BES), Division of Materials Sciences, U.S. Department of Energy (DOE), under Grant DE-FG02-86ER45259. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the DOE, Office of Science, (BES), under Contract No. DE-AC02-8CH10886. Part of this work was performed at the Swiss Moon Source, Paul Scherrer Institut, CH. We are grateful to Alex Amato and Hubertus Luetkens for technical assistance. This work was also supported by the EPSRC, UK. Work at the NHMFL was conduced under the auspices of the NSF, the State of Florida, and the DOE BES Program "Science in 100 T." NR 24 TC 15 Z9 15 U1 0 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 8 PY 2009 VL 131 IS 13 BP 4590 EP + DI 10.1021/ja9005223 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 427VD UT WOS:000264806300019 PM 19334770 ER PT J AU Lee, JS Wang, XQ Luo, HM Baker, GA Dai, S AF Lee, Je Seung Wang, Xiqing Luo, Huimin Baker, Gary A. Dai, Sheng TI Facile Ionothermal Synthesis of Microporous and Mesoporous Carbons from Task Specific Ionic Liquids SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID NANOPARTICLES; TEMPERATURE; ELECTROLYTES; EXTRACTION; PARTICLES; CATALYSIS AB An expedient, template-free, high-yield, and solventless route to nitrogen-rich micro- and mesoporous carbons is reported based on direct, atmospheric-pressure carbonization of task-specific ionic liquids bearing one or more nitrite side chains. The resulting textural properties (pore regime, surface area) are highly dependent upon the structural motifs of the ions comprising the corresponding parent ionic liquid, and uniform carbon films are routinely deposited with this novel methodology, highlighting excited new opportunities in the development of advanced functional carbon composites. C1 [Lee, Je Seung; Wang, Xiqing; Baker, Gary A.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Luo, Huimin] Oak Ridge Natl Lab, Nucl Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM dais@ornl.gov RI Wang, Xiqing/E-3062-2010; Baker, Gary/H-9444-2016; Dai, Sheng/K-8411-2015 OI Wang, Xiqing/0000-0002-1843-008X; Baker, Gary/0000-0002-3052-7730; Dai, Sheng/0000-0002-8046-3931 FU Division of Chemical Sciences, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC05-00OR22725] FX This research was sponsored by the Division of Chemical Sciences, Office of Basic Energy Sciences, U.S. Department of Energy under Contract DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC. NR 29 TC 223 Z9 226 U1 17 U2 195 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 8 PY 2009 VL 131 IS 13 BP 4596 EP + DI 10.1021/ja900686d PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 427VD UT WOS:000264806300022 PM 19296590 ER PT J AU Connor, ST Hsu, CM Weil, BD Aloni, S Cui, Y AF Connor, Stephen T. Hsu, Ching-Mei Weil, Benjamin D. Aloni, Shaul Cui, Yi TI Phase Transformation of Biphasic Cu2S-CuInS2 to Monophasic CuInS2 Nanorods SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID SOLAR-ENERGY CONVERSION; CDSE NANOCRYSTALS; SULFIDE NANOCRYSTALS; GROWTH; NANOPARTICLES; NANOWIRES; ROUTE; HETEROSTRUCTURES; NUCLEATION; CELLS AB We synthesized wurtzite CuInS2 nanorods (NRs) by colloidal solution-phase growth. We discovered that the growth process starts with nucleation of Cu2S nanodisks, followed by epitaxial overgrowth of CuInS2 NRs onto only one face of Cu2S nanodisks, resulting in biphasic Cu2S-ClSu heterostructured NRs. The phase transformation of biphasic Cu2S-CuInS2 into monophasic CuInS2 NRs occurred with growth progression. The observed epitaxial overgrowth and phase transformation is facile for three reasons. First, the sharing of the sulfur sublattice by the hexagonal chalcocite Cu2S and wurtzite CuInS2 minimizes the lattice distortion. Second, Cu2S is in a superionic conducting state at the growth temperature of 250 degrees C wherein the copper ions move fluidly. Third, the size of the Cu2S nanodisks is small, resulting in fast phase transformation. Our results provide valuable insight into the controlled solution growth of ternary chalcogenide nanoparticles and will aid in the development of solar cells using ternary I-III-VI2 semiconductors. C1 [Hsu, Ching-Mei; Weil, Benjamin D.; Cui, Yi] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. [Connor, Stephen T.] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Aloni, Shaul] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Cui, Y (reprint author), Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. EM yicui@stanford.edu RI Cui, Yi/L-5804-2013 OI Cui, Yi/0000-0002-6103-6352 FU U.S. Department of Energy [DE-FG36-08GO18005]; Stanford Global Climate and Energy; National Science Foundation; User Program in Molecular Foundry, Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX Y.C. acknowledges support from the U.S. Department of Energy under Award Number DE-FG36-08GO18005 and from the Stanford Global Climate and Energy Project. S.T.C. acknowledges support from a National Science Foundation Graduate Fellowship. The work is also supported by the User Program in Molecular Foundry, Lawrence Berkeley National Laboratory, under Contract No. DE-AC02-05CH11231. NR 34 TC 170 Z9 171 U1 10 U2 110 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 8 PY 2009 VL 131 IS 13 BP 4962 EP 4966 DI 10.1021/ja809901u PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 427VD UT WOS:000264806300071 PM 19281233 ER PT J AU Capozzi, CJ Ivanov, IN Joshi, S Gerhardt, RA AF Capozzi, Charles J. Ivanov, Ilia N. Joshi, Salil Gerhardt, Rosario A. TI The effect of the atmosphere on the optical properties of as-synthesized colloidal indium tin oxide SO NANOTECHNOLOGY LA English DT Article ID ITO THIN-FILMS; TRANSPARENT CONDUCTING OXIDES; ZINC-OXIDE; NANOCRYSTALS; NANOPARTICLES; MONODISPERSE; EVAPORATION; DEPOSITION; DISPERSION; THICKNESS AB The optical properties of indium tin oxide (ITO) have often been explored when it is in the form of deposited thin films. In this study, a colloidal chemistry approach is taken to investigate the influence of the atmosphere on the optical properties of ITO nanoparticles. X-ray diffraction (XRD), transmission electron microscopy (TEM), absorption spectroscopy and photoluminescence (PL) were used to characterize colloidal ITO samples, synthesized under aerated and inert conditions, with the same composition. In both cases, the ITO can be completely dispersed in a non-polar solvent without any evidence of agglomeration. For the ITO made in air, the nanoparticle-solvent solution exhibits a pale green color, and XRD and TEM indicate an average particle size of similar to 7 nm and small shrinkage in the lattice structure. When the ITO is synthesized under inert conditions, the solution turns blue, and XRD and TEM indicate an average particle size of similar to 8 nm and even less strain in the lattice than for the ITO synthesized under aerated conditions. The change in color and lattice strain is attributed to the difference in oxygen vacancy concentration for the ITO nanoparticles synthesized under aerated and inert conditions, which exhibit different optical band gap values of 3.89 eV and 4.05 eV, respectively. Our work here shows that thin film deposition or sintering steps may not be required for studying the optical properties of as-synthesized ITO nanoparticles. C1 [Capozzi, Charles J.; Joshi, Salil; Gerhardt, Rosario A.] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. [Ivanov, Ilia N.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Gerhardt, RA (reprint author), Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. EM rosario.gerhardt@mse.gatech.edu RI ivanov, ilia/D-3402-2015; Gerhardt, Rosario/D-6573-2012 OI ivanov, ilia/0000-0002-6726-2502; Gerhardt, Rosario/0000-0001-8774-0842 FU IPST at Georgia Tech; National Science Foundation [DMR-0604211]; US Department of Energy FX The authors are grateful for funding from the Otto Kress scholarship fund provided by IPST at Georgia Tech and the National Science Foundation under grant DMR-0604211. 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, US Department of Energy. NR 49 TC 5 Z9 5 U1 2 U2 15 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0957-4484 J9 NANOTECHNOLOGY JI Nanotechnology PD APR 8 PY 2009 VL 20 IS 14 AR 145701 DI 10.1088/0957-4484/20/14/145701 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA 424BC UT WOS:000264539500016 PM 19420531 ER PT J AU Peckys, DB Melechko, AV Simpson, ML McKnight, TE AF Peckys, Diana B. Melechko, Anatoli V. Simpson, Michael L. McKnight, Timothy E. TI Immobilization and release strategies for DNA delivery using carbon nanofiber arrays and self-assembled monolayers SO NANOTECHNOLOGY LA English DT Article ID SURFACE-PLASMON RESONANCE; GOLD NANOPARTICLES; GENE DELIVERY; DRUG-DELIVERY; STABILITY; NANORODS; CELLS AB We report a strategy for immobilizing dsDNA (double-stranded DNA) onto vertically aligned carbon nanofibers and subsequently releasing this dsDNA following penetration and residence of these high aspect ratio structures within cells. Gold-coated nanofiber arrays were modified with self-assembled monolayers (SAM) to which reporter dsDNA was covalently and end-specifically bound with or without a cleavable linker. The DNA-modified nanofiber arrays were then used to impale, and thereby transfect, Chinese hamster lung epithelial cells. This mechanical approach enables the transport of bound ligands directly into the cell nucleus and consequently bypasses extracellular and cytosolic degradation. Statistically significant differences were observed between the expression levels from immobilized and releasable DNA, and these are discussed in relation to the distinct accessibility and mode of action of glutathione, an intracellular reducing agent responsible for releasing the bound dsDNA. These results prove for the first time that an end-specifically and covalently SAM-bound DNA can be expressed in cells. They further demonstrate how the choice of immobilization and release methods can impact expression of nanoparticle delivered DNA. C1 [Peckys, Diana B.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Peckys, Diana B.; Simpson, Michael L.] Univ Tennessee, Knoxville, TN 37996 USA. [Melechko, Anatoli V.] N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. [Simpson, Michael L.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [McKnight, Timothy E.] Oak Ridge Natl Lab, Measurement Sci & Syst Engn Div, Oak Ridge, TN 37831 USA. RP Peckys, DB (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM peckysdb@ornl.gov RI Melechko, Anatoli/B-8820-2008; Simpson, Michael/A-8410-2011; McKnight, Tim/H-3087-2011; Peckys, Diana/B-4642-2015 OI Simpson, Michael/0000-0002-3933-3457; McKnight, Tim/0000-0003-4326-9117; FU NIBIB [R01EB006316]; US Department of Energy FX The authors are grateful to N de Jonge for discussion and to T Subich, D Hensley, D Thomas, and P Fleming for assistance with nanofiber fabrication. This study was supported by grant R01EB006316 (NIBIB) and through the Laboratory Directed Research and Development funding program of the Oak Ridge National Laboratory, which is managed for the US Department of Energy by UT-Battelle, LLC. MLS and AVM acknowledge support from the Material Sciences and Engineering Division Program of the DOE Office of Science. A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored by the US Department of Energy, Basic Energy Sciences, Division of Scientific User Facilities. NR 29 TC 14 Z9 14 U1 0 U2 11 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0957-4484 J9 NANOTECHNOLOGY JI Nanotechnology PD APR 8 PY 2009 VL 20 IS 14 AR 145304 DI 10.1088/0957-4484/20/14/145304 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA 424BC UT WOS:000264539500008 PM 19420523 ER PT J AU Goswami, M Sumpter, BG AF Goswami, Monojoy Sumpter, Bobby G. TI Effect of polymer-filler interaction strengths on the thermodynamic and dynamic properties of polymer nanocomposites SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article DE disperse systems; filled polymers; molecular dynamics method; nanocomposites; nanoparticles; particle reinforced composites; phase diagrams; polymerisation; stochastic processes; thermodynamics ID LAYERED SILICATE NANOCOMPOSITES; ORGANIC-INORGANIC NANOCOMPOSITES; SHAPE-MEMORY POLYMERS; MOLECULAR-DYNAMICS; GLASS-TRANSITION; POLY(ETHYLENE OXIDE); CLAY NANOCOMPOSITES; MELT INTERCALATION; EPOXY POLYMER; SIMULATION AB The structural and dynamical properties of polymer nanocomposites are investigated using stochastic molecular dynamics simulations. For spherical nanoparticles dispersed in a polymer matrix, the results indicate that the polymer-nanoparticle interaction strength and the overall system temperature are primarily responsible for the type of dispersed state (clustering and homogeneous dispersion) achieved. A systematic study probing temperature, polymerization, and polymer-nanoparticle and nanoparticle-nanoparticle interaction strengths has been performed. In this paper, however, we focus the discussion on the results for varying polymer-nanoparticle interaction strengths at different temperatures. By examining the structure and dynamics, we show that there are two kinds of "clustering transitions:" one due to thermodynamic and another due to the dynamical response of the system. From these results, a representative phase diagram is developed that captures the entire simulated space and allows the easy identification of the highly dispersed and the clustered states. C1 [Goswami, Monojoy; Sumpter, Bobby G.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Goswami, M (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM goswamim@ornl.gov RI Goswami, Monojoy/G-7943-2012; Sumpter, Bobby/C-9459-2013 OI Goswami, Monojoy/0000-0002-4473-4888; Sumpter, Bobby/0000-0001-6341-0355 FU Division of Materials Science and Engineering (DMSE); U.S. Department of Energy (DoE) [DEAC05-00OR22725]; Oak Ridge National Laboratory (ORNL) FX This work was supported by the Division of Materials Science and Engineering (DMSE), U.S. Department of Energy (DoE), Office of Basic Energy Sciences (BES) under Contract No. DEAC05-00OR22725 with UT-Battelle, LLC at Oak Ridge National Laboratory (ORNL). NR 96 TC 18 Z9 18 U1 4 U2 37 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 7 PY 2009 VL 130 IS 13 AR 134910 DI 10.1063/1.3105336 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 431HW UT WOS:000265053200073 PM 19355783 ER PT J AU Greathouse, JA Durkin, JS Larentzos, JP Cygan, RT AF Greathouse, Jeffery A. Durkin, Justin S. Larentzos, James P. Cygan, Randall T. TI Implementation of a Morse potential to model hydroxyl behavior in phyllosilicates SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article DE ab initio calculations; aluminium compounds; clay; crystal structure; density functional theory; magnesium compounds; minerals; molecular dynamics method; Morse potential; sodium compounds; vibrational modes ID INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; X-RAY-DIFFRACTION; AB-INITIO; DIOCTAHEDRAL PHYLLOSILICATES; VIBRATIONAL PROPERTIES; BASIS-SET; PYROPHYLLITE; SORPTION AB The accurate molecular simulation of many hydrated chemical systems, including clay minerals and other phyllosilicates and their interfaces with aqueous solutions, requires improved classical force field potentials to better describe structure and vibrational behavior. Classical and ab initio molecular dynamics simulations of the bulk structure of pyrophyllite, talc, and Na-montmorillonite clay phases exhibit dissimilar behavior in the hydroxyl stretch region of power spectra derived from atomic trajectories. The classical simulations, using the CLAYFF force field, include either a standard harmonic potential or a new Morse potential parametrized for both dioctahedral and trioctahedral phases for the O-H bond stretch. Comparisons of classical results with experimental values and with ab initio molecular dynamics simulations indicate improvements in the simulation of hydroxyl orientation relative to the clay octahedral sheet and in the O-H bond stretch in the high frequency region of the power spectrum. C1 [Greathouse, Jeffery A.; Durkin, Justin S.; Larentzos, James P.; Cygan, Randall T.] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. RP Greathouse, JA (reprint author), Sandia Natl Labs, Dept Geochem, POB 5800, Albuquerque, NM 87185 USA. EM jagreat@sandia.gov FU U.S. Department of Energy [DE-AC0494AL85000] FX We recognize support from the U.S. Department of Energy, Office of Basic Energy Sciences, Geosciences Research. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin company, for the U. S. Department of Energy under Contract No. DE-AC0494AL85000. NR 30 TC 11 Z9 11 U1 0 U2 12 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 7 PY 2009 VL 130 IS 13 AR 134713 DI 10.1063/1.3103886 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 431HW UT WOS:000265053200061 PM 19355770 ER PT J AU Park, S Bardhan, JP Roux, B Makowski, L AF Park, Sanghyun Bardhan, Jaydeep P. Roux, Benoit Makowski, Lee TI Simulated x-ray scattering of protein solutions using explicit-solvent models SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article DE biological NMR; biological techniques; molecular dynamics method; proteins; X-ray crystallography; X-ray scattering ID LIQUID WATER; MOLECULAR-DYNAMICS; CONFORMATIONS; DIFFRACTION AB X-ray solution scattering shows new promise for the study of protein structures, complementing crystallography and nuclear magnetic resonance. In order to realize the full potential of solution scattering, it is necessary to not only improve experimental techniques but also develop accurate and efficient computational schemes to relate atomistic models to measurements. Previous computational methods, based on continuum models of water, have been unable to calculate scattering patterns accurately, especially in the wide-angle regime which contains most of the information on the secondary, tertiary, and quaternary structures. Here we present a novel formulation based on the atomistic description of water, in which scattering patterns are calculated from atomic coordinates of protein and water. Without any empirical adjustments, this method produces scattering patterns of unprecedented accuracy in the length scale between 5 and 100 A, as we demonstrate by comparing simulated and observed scattering patterns for myoglobin and lysozyme. C1 [Park, Sanghyun] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Bardhan, Jaydeep P.; Roux, Benoit; Makowski, Lee] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Roux, Benoit] Univ Chicago, Dept Biochem & Mol Biol, Chicago, IL 60637 USA. RP Park, S (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM sp.spark@gmail.com FU U. S. Department of Energy [DE-AC02-06CH11357] FX We thank Mihai Anitescu and Sichun Yang for many insightful discussions. This research was supported by the U. S. Department of Energy, under Contract No. DE-AC02-06CH11357. NR 26 TC 50 Z9 51 U1 0 U2 15 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 7 PY 2009 VL 130 IS 13 AR 134114 DI 10.1063/1.3099611 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 431HW UT WOS:000265053200015 PM 19355724 ER PT J AU Roeterdink, WG Strecker, KE Hayden, CC Janssen, MHM Chandler, DW AF Roeterdink, Wim G. Strecker, Kevin E. Hayden, Carl C. Janssen, Maurice H. M. Chandler, David W. TI Imaging the rotationally state-selected NO(A,n) product from the predissociation of the A state of the NO-Ar van der Waals cluster SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article DE argon; ground states; molecular clusters; molecule-photon collisions; nitrogen compounds; photoionisation; predissociation; quasimolecules; resonant states; rotational states; vibrational states ID CENTER-DOT-NO; VIBRATIONAL PREDISSOCIATION; PHOTODISSOCIATION DYNAMICS; IONIZATION SPECTROSCOPY; MULTIPHOTON IONIZATION; COLLISIONS; MOLECULES; DISTRIBUTIONS; COMPLEXES; VELOCITY AB The origin of the resonant structures in the spectrum of the predissociative part of the A state in the NO-Ar van der Waals cluster has been investigated. We have employed direct excitation to the predissociative part of the NO-Ar A state followed by rotational state selective ionization of the NO fragment. Velocity map imaging of the NO ion yields the recoil energy of the rotational state-selected fragment. A substantial contribution of rotational hotbands to the resonant structures is observed. Our data indicate that a centrifugal barrier as the origin of these resonances can be ruled out. We hypothesize that after the NO-Ar cluster is excited to the A state sufficient mixing within the rotating cluster takes place as it changes geometry from being T shaped in the NO(X)-Ar state to linear in the NO(A)-Ar state. This mixing allows the low energy and high angular momentum (J approximate to 4.5) tumbling motion of the initially populated hotbands in the ground state NO(X)-Ar complex to be converted into NO(A,n=2) spinning rotation in the A state of the complex. The electronically excited spinning complex falls apart adiabatically producing rotationally excited NO(A,n=2) at the energetic threshold. This interpretation indicates that the resonances can be attributed to some type of vibrational Feshbach resonance. The appearance energy for the formation of NO(A,n=0)+Ar is found to be 44294.3 +/- 1.4 cm(-1). C1 [Roeterdink, Wim G.; Strecker, Kevin E.; Hayden, Carl C.; Chandler, David W.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. [Roeterdink, Wim G.; Janssen, Maurice H. M.] Vrije Univ Amsterdam, Dept Chem, NL-1081 HV Amsterdam, Netherlands. [Roeterdink, Wim G.; Janssen, Maurice H. M.] Vrije Univ Amsterdam, Ctr Laser, NL-1081 HV Amsterdam, Netherlands. RP Chandler, DW (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. EM chand@sandia.gov FU U. S. Department of Energy, Office of Basic Energy Science; Sandia Corporation; Lockheed Martin Company; EU by a Marie Curie Outgoing International Fellowship [OIF 021907] FX We gratefully acknowledge Mr. Mark Jaska for excellent technical help with this project. D. W. C., K. E. S., and C. C. H. acknowledge funding for this work provided by the U. S. Department of Energy, Office of Basic Energy Science. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U. S. Department of Energy. W. G. R. gratefully acknowledges the financial support from the EU by a Marie Curie Outgoing International Fellowship under Contract No. OIF 021907. W. G. R. acknowledges helpful discussions with Professor S. Stolte. NR 26 TC 13 Z9 13 U1 1 U2 12 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 7 PY 2009 VL 130 IS 13 AR 134305 DI 10.1063/1.3078773 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 431HW UT WOS:000265053200021 PM 19355730 ER PT J AU Shubert, VA Rednic, M Pratt, ST AF Shubert, V. Alvin Rednic, Maria Pratt, Stephen T. TI Photodissociation of i-C3H7I within the A band and anisotropy-based decomposition of the translational energy distributions SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article DE molecule-photon collisions; organic compounds; photodissociation; photoexcitation ID MAGNETIC CIRCULAR-DICHROISM; ALKYL IODIDES; A-BAND; METHYL-IODIDE; PHOTOFRAGMENTATION DYNAMICS; 248 NM; SPECTRA; CH3I; DEPENDENCE; EXPANSION AB The photodissociation of i-propyl iodide in the A absorption band was studied by using velocity map ion imaging following excitation between 304 and 253 nm. The translational energy distributions and translational energy dependence of the angular distributions of the I P-2(3/2) and P-2(1/2) photofragments were recorded as a function of the photodissociation wavelength. These distributions are used to decompose the i-C3H7+I P-2(3/2) channel into contributions from two processes: Excitation to the (3)Q(0)(+) state followed by crossing onto the (1)Q(1) surface, and direct excitation to the (3)Q(1) surface followed by dissociation on that surface. As in the case of methyl iodide, the former process dominates; the latter process contributes only in the red wing of the absorption band, with its contribution peaking at similar to 287 nm with an absorption of similar to 1% of the band maximum. The data for the i-C3H7+I-* P-2(1/2) channel display a smooth behavior across the full energy range of the present study, and are consistent with direct excitation to the (3)Q(0)(+) surface followed by dissociation on that surface. C1 [Shubert, V. Alvin; Rednic, Maria; Pratt, Stephen T.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Shubert, VA (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM stpratt@anl.gov RI Shubert, V. Alvin/C-6736-2011 FU U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [DE-AC02-06CH11357]; University of Chicago/Argonne Strategic Collaborative Initiative FX This work was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences under Contract No. DE-AC02-06CH11357. M. R. was supported by funding through the University of Chicago/Argonne Strategic Collaborative Initiative. NR 36 TC 3 Z9 3 U1 1 U2 8 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 7 PY 2009 VL 130 IS 13 AR 134306 DI 10.1063/1.3094321 PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 431HW UT WOS:000265053200022 PM 19355731 ER PT J AU Wang, LM Huang, W Wang, LS Averkiev, BB Boldyrev, AI AF Wang, Lei-Ming Huang, Wei Wang, Lai-Sheng Averkiev, Boris B. Boldyrev, Alexander I. TI Experimental and theoretical investigation of three-dimensional nitrogen-doped aluminum clusters Al8N- and Al8N SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article DE ab initio calculations; aluminium compounds; isomerism; molecular clusters; photoelectron spectra ID MOLECULAR-ORBITAL METHODS; VALENCE BASIS-SETS; ELECTRON PROPAGATOR CALCULATIONS; PHOTOELECTRON-SPECTROSCOPY; AB-INITIO; IONIZATION ENERGIES; GENETIC-ALGORITHM; 2ND-ROW ELEMENTS; 1ST-ROW ELEMENTS; DENSITY AB The structure and electronic properties of the Al8N- and Al8N clusters were investigated by combined photoelectron spectroscopy and ab initio studies. Congested photoelectron spectra were observed and experimental evidence was obtained for the presence of multiple isomers for Al8N-. Global minimum searches revealed several structures for Al8N- with close energies. The calculated vertical detachment energies of the two lowest-lying isomers, which are of C-2v and C-s symmetry, respectively, were shown to agree well with the experimental data. Unlike the three-dimensional structures of Al6N- and Al7N-, in which the dopant N atom has a high coordination number of 6, the dopant N atom in the two low-lying isomers of Al8N- has a lower coordination number of 4 and 5, respectively. The competition between the Al-Al and Al-N interactions are shown to determine the global minimum structures of the doped aluminum clusters and results in the structural diversity for both Al8N- and Al8N. C1 [Wang, Lei-Ming; Huang, Wei; Wang, Lai-Sheng] Washington State Univ, Dept Phys, Richland, WA 99354 USA. [Wang, Lei-Ming; Huang, Wei; Wang, Lai-Sheng] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Averkiev, Boris B.; Boldyrev, Alexander I.] Utah State Univ, Dept Chem & Biochem, Logan, UT 84322 USA. RP Wang, LM (reprint author), Washington State Univ, Dept Phys, 2710 Univ Dr, Richland, WA 99354 USA. EM ls.wang@pnl.gov; a.i.boldyrev@usu.edu RI Wang, Leiming/A-3937-2011; Boldyrev, Alexander/C-5940-2009 OI Boldyrev, Alexander/0000-0002-8277-3669 FU National Science Foundation [CHE-0714851, CTS-0321170, DMR-0503383]; DOE Office of Biological and Environmental Research; DOE by Battelle FX The theoretical work done at Utah State University was supported by the National Science Foundation (Grant No. CHE-0714851). Computer time from the Center for High Performance Computing at Utah State University is gratefully acknowledged. The computational resource, the Uinta cluster supercomputer, was provided through the National Science Foundation under Grant No. CTS-0321170 with matching funds provided by Utah State University. The experimental work done at Washington State University was supported by the National Science Foundation (Grant No. DMR-0503383) and was performed at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the DOE Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated for DOE by Battelle. NR 43 TC 12 Z9 12 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 7 PY 2009 VL 130 IS 13 AR 134303 DI 10.1063/1.3097761 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 431HW UT WOS:000265053200019 PM 19355728 ER PT J AU Zhang, Y Lagi, M Liu, DZ Mallamace, F Fratini, E Baglioni, P Mamontov, E Hagen, M Chen, SH AF Zhang, Yang Lagi, Marco Liu, Dazhi Mallamace, Francesco Fratini, Emiliano Baglioni, Piero Mamontov, Eugene Hagen, Mark Chen, Sow-Hsin TI Observation of high-temperature dynamic crossover in protein hydration water and its relation to reversible denaturation of lysozyme SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article DE biochemistry; biodiffusion; biothermics; molecular biophysics; molecular dynamics method; molecule-neutron collisions; monolayers; powders; proteins; self-diffusion; solvation ID EGG-WHITE LYSOZYME; NEUTRON-SCATTERING; SUPERCOOLED WATER; SIMULATIONS; MODEL AB The diffusive dynamics of hydration water in lysozyme is studied by high-resolution incoherent quasielastic neutron scattering spectroscopy and molecular dynamics (MD) simulations in a temperature range of 290 K < T < 380 K. The hydration level of the protein powder sample is kept at h=0.35 gram of water per gram of dry protein to provide monolayer of water coverage on the protein surfaces. Two lysozyme samples, the H(2)O hydrated and the D(2)O hydrated, are measured in the experiments. The difference spectra of the two are used to extract the diffusive dynamics of the hydration water. The self-diffusion constant D of the hydration water is obtained from the analyses of the low-Q spectra. The Arrhenius plot of the inverse diffusion constant [i.e., log(1/D) versus 1/T] shows a dynamic crossover from a super-Arrhenius behavior at low temperatures to an Arrhenius behavior at high temperatures bordered at T(D)=345 +/- 5 K. We also observe a pronounced increase in the migration distance d of the hydration water molecules above T(D). We present evidence from the neutron scattering experiment that this dynamic crossover temperature in the hydration water coincides with that of the reversible denaturation of lysozyme determined by specific heat measurements. We further performed MD simulations of hydrated lysozyme powder to offer a plausible reason for this coincidence of the crossover phenomenon with the reversible denaturation of the protein. C1 [Zhang, Yang; Lagi, Marco; Liu, Dazhi; Chen, Sow-Hsin] MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA. [Mallamace, Francesco] Univ Messina, Consorzio Nazl Interuniv Sci Fis Mat, Dipartimento Fis, I-98116 Messina, Italy. [Lagi, Marco; Fratini, Emiliano; Baglioni, Piero] Univ Florence, Consorzio Interuniv Sviluppo Sistemi Grande Inter, Dipartimento Chim, I-50019 Florence, Italy. [Liu, Dazhi; Mamontov, Eugene; Hagen, Mark] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. RP Chen, SH (reprint author), MIT, Dept Nucl Sci & Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM sowhsin@mit.edu RI Fratini, Emiliano/C-9983-2010; Baglioni, Piero/B-1208-2011; Zhang, Yang/A-7975-2012; Liu, Dazhi/G-2675-2013; Mamontov, Eugene/Q-1003-2015 OI Mallamace, Francesco/0000-0003-4098-174X; Fratini, Emiliano/0000-0001-7104-6530; Baglioni, Piero/0000-0003-1312-8700; Zhang, Yang/0000-0002-7339-8342; Liu, Dazhi/0000-0002-7604-6940; Mamontov, Eugene/0000-0002-5684-2675 FU CSGI; University of Messina [MURST-PRIN2004]; U.S. Department of Energy; [DEFG02-90ER45429] FX Research at MIT is supported by Contract No. DEFG02-90ER45429, at the University of Florence by CSGI, and at the University of Messina by Contract No. MURST-PRIN2004. The neutron scattering experiment at Oak Ridge National Laboratory's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, and U.S. Department of Energy. We benefited from the affiliation with European Union-Marie Curie Research and Training Network on Arrested Matter. NR 38 TC 32 Z9 32 U1 2 U2 19 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 7 PY 2009 VL 130 IS 13 AR 135101 DI 10.1063/1.3081137 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 431HW UT WOS:000265053200074 ER PT J AU Hsueh, CH Wei, WCJ AF Hsueh, C. H. Wei, W. C. J. TI Analyses of effective viscosity of suspensions with deformable polydispersed spheres SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article ID EFFECTIVE SHEAR VISCOSITY; BUBBLE-BEARING MAGMAS; HIGH-TEMPERATURE; EMULSIONS; RHEOLOGY; STRESS; FLOW; INCLUSIONS; DIFFUSION; BEHAVIOR AB A simple expression is derived for the effective shear viscosity of suspensions with deformable polydispersed spheres in this study. The analyses commence with the modified Eshelby model to derive the elastic stress-strain relation for an elastic composite containing spherical inclusions. Then, using the elastic-viscous analogy, the effective shear viscosity is obtained for suspensions with small volume fractions of deformable mono-sized spheres. Finally, using Bruggeman's differential model, the formula for the effective shear viscosity of suspensions with concentrated deformable polydispersed spheres is obtained. The present formulae are compared with some of the existing solutions and experimental measurements, and good agreement is obtained. C1 [Wei, W. C. J.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Hsueh, C. H.; Wei, W. C. J.] Natl Taiwan Univ, Dept Mat Sci & Engn, Taipei 106, Taiwan. RP Hsueh, CH (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM hsuehc@ornl.gov RI Hsueh, Chun-Hway/G-1345-2011 FU National Science Council, Taiwan [NSC96-2811-E-002-022] FX This research was sponsored by the National Science Council, Taiwan under Contract No. NSC96-2811-E-002-022. NR 36 TC 6 Z9 6 U1 0 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0022-3727 J9 J PHYS D APPL PHYS JI J. Phys. D-Appl. Phys. PD APR 7 PY 2009 VL 42 IS 7 AR 075503 DI 10.1088/0022-3727/42/7/075503 PG 7 WC Physics, Applied SC Physics GA 421VH UT WOS:000264385900057 ER PT J AU Matta, C Eryilmaz, OL Bouchet, MID Erdemir, A Martin, JM Nakayama, K AF Matta, C. Eryilmaz, O. L. Bouchet, M. I. De Barros Erdemir, A. Martin, J. M. Nakayama, K. TI On the possible role of triboplasma in friction and wear of diamond-like carbon films in hydrogen-containing environments SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article ID CHARGED-PARTICLES; CERAMIC SURFACES; SLIDING CONTACT; TRIBOEMISSION; PRESSURE; PHOTONS; TRIBOMICROPLASMA; SUPERLUBRICITY; GENERATION; SOLIDS AB Hydrogen-free diamond-like carbon (DLC) films (both amorphous (a-C) and tetrahedral amorphous carbon (ta-C)) suffer high friction and severe wear losses when tested in inert and/or high vacuum environments. However, they provide anomalous superlow friction and wear coefficients in the presence of hydrogen gas, water vapour and alcohol molecules in the test environment. In this paper, we used such films in a systematic study to further confirm that hydrogen indeed plays an important role in their friction and wear behaviours. To study the effect of hydrogen, we conducted sliding tests in a hydrogen-containing test chamber and analysed the chemistry of their sliding contact surfaces using a time-of-flight secondary ion mass spectrometer. Clearly, the sliding contact regions of the carbon films became very rich in hydrogen after tribological tests in the hydrogen-containing chamber. In an attempt to understand the fundamental tribochemical mechanisms involved, we performed additional tests on these DLC films using a highly instrumented tribometer that permitted us the visualization of triboplasmas generating at or in the vicinity of the sliding surfaces. In this test system, we confirmed the formation of a triboplasma inside the contact area of the DLC films as evidenced by the characteristic UV radiation. Based on these observations, we believe that the formation of such triboplasmas within the contact zones of these DLC films may have triggered unique tribochemical reactions between hydrogen and carbon atoms on their sliding surfaces and thus resulted in very low friction and wear during tests in hydrogen-containing environments. C1 [Eryilmaz, O. L.; Erdemir, A.] Argonne Natl Lab, Div Energy Syst, Tribol Sect, Argonne, IL 60439 USA. [Matta, C.; Bouchet, M. I. De Barros; Martin, J. M.] Ecole Cent Lyon, Lab Tribol & Syst Dynam, F-69134 Ecully, France. [Nakayama, K.] Chiba Inst Technol, Narashino, Chiba 2750016, Japan. RP Erdemir, A (reprint author), Argonne Natl Lab, Div Energy Syst, Tribol Sect, 9700 S Cass Ave, Argonne, IL 60439 USA. FU Center for Microanalysis of Materials, University of Illinois; US Department of Energy [DEFG02-91-ER45439] FX The TOF-SIMS characterization studies were carried out in the Center for Microanalysis of Materials, University of Illinois, which is partially supported by the US Department of Energy under grant DEFG02-91-ER45439. Drs I Petrov and T Spila are gratefully acknowledged. NR 32 TC 26 Z9 26 U1 1 U2 22 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0022-3727 EI 1361-6463 J9 J PHYS D APPL PHYS JI J. Phys. D-Appl. Phys. PD APR 7 PY 2009 VL 42 IS 7 AR 075307 DI 10.1088/0022-3727/42/7/075307 PG 8 WC Physics, Applied SC Physics GA 421VH UT WOS:000264385900032 ER PT J AU Larese, JZ Arnold, T Barbour, A Frazier, LR AF Larese, J. Z. Arnold, T. Barbour, A. Frazier, L. R. TI Neutron Investigations of Rotational Motions in Monolayer and Multilayer Films at the Interface of MgO and Graphite Surfaces SO LANGMUIR LA English DT Article ID MAGNESIUM-OXIDE; THIN-FILMS; MGO(100) SURFACES; PHASE-II; METHANE; SCATTERING; CH4; HYDROGEN; SPECTROSCOPY; EXCITATIONS AB Recent experimental investigations of the rotational motion of methane and molecular hydrogen using inelastic neutron scattering (INS) measurements in combination with thermodynamic techniques have provided a unique view of the evolution of the interaction of these two molecules with the MgO (100) surface and graphite basal plane. Despite significant differences in the chemical and physical properties and surface symmetry of these two adsorbents, the dynamical behavior of the adsorbed films is remarkably similar. The interaction of a CH(4) monolayer solid with MgO and graphite, as monitored by the behavior of the J = 0 -> J = 1 free rotor transition, is so strong that there is no evidence for unhindered rotation of the molecule below 20 K. Using this same transition as a probe, H(2) monolayer solids exhibit nearly free or significantly hindered motion on graphite and MgO (100) surfaces, respectively. Investigations of CH(4) and H(2) multilayer films on MgO find that once the film thickness exceeds similar to 3 layers, the molecule-molecule interactions predominantly determine the dynamical properties of the molecular film furthest from the surface. INS signals indicate that the dynamical motion in thicker films is closely related to that observed in the bulk system. The results of these studies serve as a valuable pathway for developing a qualitatively accurate description of the potential energy surfaces that govern the microscopic properties of these systems. C1 [Larese, J. Z.; Barbour, A.; Frazier, L. R.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Larese, J. Z.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Arnold, T.] Diamond Light Source, Chilton OX11 0DE, England. RP Larese, JZ (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM jzl@utk.edu RI D20, Diffractometer/O-3123-2013 OI D20, Diffractometer/0000-0002-1572-1367 NR 39 TC 9 Z9 9 U1 0 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 7 PY 2009 VL 25 IS 7 BP 4078 EP 4083 DI 10.1021/la802929b PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 427RY UT WOS:000264798000023 PM 19714830 ER PT J AU Majkrzak, CF Berk, NF Kienzle, P Perez-Salas, U AF Majkrzak, C. F. Berk, N. F. Kienzle, P. Perez-Salas, U. TI Progress in the Development of Phase-Sensitive Neutron Reflectometry Methods SO LANGMUIR LA English DT Article AB It has been a number of years since phase-sensitive specular neutron reflectometry (PSNR) methods employing reference layers were first introduced to help remove the ambiguity inherent in the reconstruction of scattering length density (SLD) depth profiles (Majkrzak, C. F.; Berk, N. F. Physica B 2003, 336, 27) from specular reflectivity measurements. Although a number of scientific applications of PSNR techniques have now been successfully realized (Majkrzak, C. F.; Berk, N. F.; Perez-Salas, U. A. Langmuir 2003, 19, 7796 and references therein), in certain cases practical difficulties remain. In this article, we describe possible solutions to two specific problems: (1) the need for explicit, detailed knowledge of the SLD profile of a given reference layer of finite thickness; and (2) for a reference layer of finite thickness in which only two density variations are possible, how to identify which of two mathematical solutions corresponds to the true physical structure. C1 [Majkrzak, C. F.; Berk, N. F.; Kienzle, P.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Perez-Salas, U.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Majkrzak, CF (reprint author), NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. EM charles.majkrzak@nist.gov NR 15 TC 10 Z9 10 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 7 PY 2009 VL 25 IS 7 BP 4154 EP 4161 DI 10.1021/la802838t PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 427RY UT WOS:000264798000032 PM 19714897 ER PT J AU Shim, SH Bengtson, A Morgan, D Sturhahn, WG Cataiii, K Zhao, JY Lerche, M Prakapenka, V AF Shim, Sang-Heon Bengtson, Amelia Morgan, Dane Sturhahn, Wolfgang Cataiii, Krystle Zhao, Jiyong Lerche, Michael Prakapenka, Vitali TI Electronic and magnetic structures of the postperovskite-type Fe2O3 and implications for planetary magnetic records and deep interiors SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE spin ordering; electrical conductivity; high pressure; phase transition ID EARTHS LOWER MANTLE; POST-PEROVSKITE PHASE; HIGH-PRESSURE; ELECTRICAL-CONDUCTIVITY; CRYSTAL-STRUCTURE; TRANSITION; IRON; GPA; LAYER; STATE AB Recent studies have shown that high pressure (P) induces the metallization of the Fe2+-O bonding, the destruction of magnetic ordering in Fe, and the high-spin (HS) to low-spin (LS) transition of Fe in silicate and oxide phases at the deep planetary interiors. Hematite (Fe2O3) is an important magnetic carrier mineral for deciphering planetary magnetism and a proxy for Fe in the planetary interiors. Here, we present synchrotron Mossbauer spectroscopy and X-ray diffraction combined with ab initio calculations for Fe2O3 revealing the destruction of magnetic ordering at the hematite -> Rh2O3-II type (RhII) transition at 70 GPa and 300 K, and then the revival of magnetic ordering at the RhII -> postperovskite (PPv) transition after laser heating at 73 GPa. At the latter transition, at least half of Fe3+ ions transform from LS to HS and Fe2O3 changes from a semiconductor to a metal. This result demonstrates that some magnetic carrier minerals may experience a complex sequence of magnetic ordering changes during impact rather than a monotonic demagnetization. Also local Fe enrichment at Earth's core-mantle boundary will lead to changes in the electronic structure and spin state of Fe in silicate PPv. If the ultra-low-velocity zones are composed of Fe-enriched silicate PPv and/or the basaltic materials are accumulated at the lowermost mantle, high electrical conductivity of these regions will play an important role for the electromagnetic coupling between the mantle and the core. C1 [Shim, Sang-Heon; Cataiii, Krystle] MIT, Dept Earth Atmospher & Planetary Sci, Cambridge, MA 02139 USA. [Bengtson, Amelia; Morgan, Dane] Univ Wisconsin, Dept Mat Sci & Engn, Madison, WI 53706 USA. [Sturhahn, Wolfgang; Zhao, Jiyong; Lerche, Michael] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Lerche, Michael] Carnegie Inst Sci, High Pressure Synerget Ctr, Argonne, IL 60439 USA. [Prakapenka, Vitali] Univ Chicago, Ctr Adv Radiat Sources, Chicago, IL 60637 USA. RP Shim, SH (reprint author), MIT, Dept Earth Atmospher & Planetary Sci, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM sangshim@mit.edu OI Shim, Sang-Heon/0000-0001-5203-6038 FU Consortium for Materials Properties Research in Earth Sciences [EAR 06-49658]; DOE; Office of Science; Office of Basic Energy Sciences [DE-AC02-06CH11357] FX thank B. Weiss and T. L. Grove for discussions that improved this article and the editor and two anonymous reviewers for helpful comments and suggestions. This work was supported by the National Science Foundation (NSF) Grants EAR0738655 (to S. H. S.) and EAR0738886 (to D. M.), respectively. K. C. is supported by a Department of Energy (DOE) National Nuclear Security Administration Stewardship Science Graduate Fellowship. Measurements were performed at Sectors 3 and GeoSoilEnviroCars (GSECARS) at Advanced Photon Source. GSECARS is supported by the NSF and DOE. Use of Sector 3 was supported in part by the Consortium for Materials Properties Research in Earth Sciences under NSF Cooperative Agreement EAR 06-49658. Use of the APS was supported by the DOE, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 42 TC 27 Z9 27 U1 7 U2 29 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD APR 7 PY 2009 VL 106 IS 14 BP 5508 EP 5512 DI 10.1073/pnas.0808549106 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 430CX UT WOS:000264967500012 PM 19279204 ER PT J AU Barton, L Newsome, SD Chen, FH Wang, H Guilderson, TP Bettinger, RL AF Barton, Loukas Newsome, Seth D. Chen, Fa-Hu Wang, Hui Guilderson, Thomas P. Bettinger, Robert L. TI Agricultural origins and the isotopic identity of domestication in northern China SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE East Asia; millet; Neolithic; origins of agriculture; stable isotope biochemistry ID INNER-MONGOLIA; CARBON-ISOTOPE; VEGETATION; CLIMATE; CALIBRATION; COLLAGEN; RECORDS; PEOPLE; PLANTS; EVENT AB Stable isotope biochemistry (delta(13)C and delta(15)N) and radiocarbon dating of ancient human and animal bone document 2 distinct phases of plant and animal domestication at the Dadiwan site in northwest China. The first was brief and nonintensive: at various times between 7900 and 7200 calendar years before present (calBP) people harvested and stored enough broomcorn millet (Panicum miliaceum) to provision themselves and their hunting dogs (Canis sp.) throughout the year. The second, much more intensive phase was in place by 5900 calBP: during this time both broomcorn and foxtail (Setaria viridis spp. italica) millets were cultivated and made significant contributions to the diets of people, dogs, and pigs (Sus sp.). The systems represented in both phases developed elsewhere: the earlier, low-intensity domestic relationship emerged with hunter-gatherers in the arid north, while the more intensive, later one evolved further east and arrived at Dadiwan with the Yang-shao Neolithic. The stable isotope methodology used here is probably the best means of detecting the symbiotic human-plant-animal linkages that develop during the very earliest phases of domestication and is thus applicable to the areas where these connections first emerged and are critical to explaining how and why agriculture began in East Asia. C1 [Barton, Loukas; Bettinger, Robert L.] Univ Calif Davis, Dept Anthropol, Davis, CA 95616 USA. [Barton, Loukas] Katmai Natl Pk & Preserve, King Salmon, AK 99613 USA. [Barton, Loukas; Chen, Fa-Hu] Lanzhou Univ, Ctr Arid Environm & Paleoclimate Res, Minist Educ, Key Lab W Chinas Environm Syst, Lanzhou 730000, Peoples R China. [Newsome, Seth D.] Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA. [Wang, Hui] Gansu Prov Inst Cultural Rel & Archaeol Res, Lanzhou 730000, Peoples R China. [Guilderson, Thomas P.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. RP Barton, L (reprint author), Univ Calif Davis, Dept Anthropol, 1 Shields Ave, Davis, CA 95616 USA. EM loukas_barton@nps.gov RI Chen, Fahu/E-9491-2010; Chen, Fahu/B-2788-2011 FU Wenner-Gren Foundation; National Geographic Society; Pacific Rim Research Program of the University of California; Lawrence Livermore National Laboratory [W-7405-Eng-48, DE-AC52-07NA27344] FX We thank Zhang Pingyu, Zhang Dongju, Ji Duxue, and Zhao Jian Long for help with sample selection and preparation in Lanzhou and Paula Zermeno and Dot Kurdyla for patience and expertise in the graphite laboratory at the Lawrence Livermore National Laboratory. This work was supported by the Wenner-Gren Foundation, the National Geographic Society, and the Pacific Rim Research Program of the University of California. A portion of the work was performed under the auspices of the U. S. Department of Energy by the Lawrence Livermore National Laboratory under Contracts W-7405-Eng-48 and DE-AC52-07NA27344. NR 50 TC 134 Z9 149 U1 8 U2 41 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD APR 7 PY 2009 VL 106 IS 14 BP 5523 EP 5528 DI 10.1073/pnas.0809960106 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 430CX UT WOS:000264967500015 PM 19307567 ER PT J AU Mahowald, MA Rey, FE Seedorf, H Turnbaugh, PJ Fulton, RS Wollam, A Shah, N Wang, CY Magrini, V Wilson, RK Cantarel, BL Coutinho, PM Henrissat, B Crock, LW Russell, A Verberkmoes, NC Hettich, RL Gordon, JI AF Mahowald, Michael A. Rey, Federico E. Seedorf, Henning Turnbaugh, Peter J. Fulton, Robert S. Wollam, Aye Shah, Neha Wang, Chunyan Magrini, Vincent Wilson, Richard K. Cantarel, Brandi L. Coutinho, Pedro M. Henrissat, Bernard Crock, Lara W. Russell, Alison Verberkmoes, Nathan C. Hettich, Robert L. Gordon, Jeffrey I. TI Characterizing a model human gut microbiota composed of members of its two dominant bacterial phyla SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE human gut Firmicutes and Bacteroidetes; carbohydrate metabolism; gnotobiotic mice; gut microbiome; nutrient sharing ID BUTYRATE-PRODUCING BACTERIA; COLONIC EPITHELIAL-CELLS; SODIUM-BUTYRATE; BACTEROIDES-THETAIOTAOMICRON; HUMAN INTESTINE; SYMBIONT; EVOLUTION; EXPRESSION; DIVERSITY; OBESITY AB The adult human distal gut microbial community is typically dominated by 2 bacterial phyla (divisions), the Firmicutes and the Bacteroidetes. Little is known about the factors that govern the interactions between their members. Here, we examine the niches of representatives of both phyla in vivo. Finished genome sequences were generated from Eubacterium rectale and E. eligens, which belong to Clostridium Cluster XIVa, one of the most common gut Firmicute clades. Comparison of these and 25 other gut Firmicutes and Bacteroidetes indicated that the Firmicutes possess smaller genomes and a disproportionately smaller number of glycan-degrading enzymes. Germ-free mice were then colonized with E. rectale and/or a prominent human gut Bacteroidetes, Bacteroides thetaiotaomicron, followed by whole-genome transcriptional profiling, high-resolution proteomic analysis, and biochemical assays of microbial-microbial and microbial-host interactions. B. thetaiotaomicron adapts to E. rectale by up-regulating expression of a variety of polysaccharide utilization loci encoding numerous glycoside hydrolases, and by signaling the host to produce mucosal glycans that it, but not E. rectale, can access. E. rectale adapts to B. thetaiotaomicron by decreasing production of its glycan-degrading enzymes, increasing expression of selected amino acid and sugar transporters, and facilitating glycolysis by reducing levels of NADH, in part via generation of butyrate from acetate, which in turn is used by the gut epithelium. This simplified model of the human gut microbiota illustrates niche specialization and functional redundancy within members of its major bacterial phyla, and the importance of host glycans as a nutrient foundation that ensures ecosystem stability. C1 [Mahowald, Michael A.; Rey, Federico E.; Seedorf, Henning; Turnbaugh, Peter J.; Crock, Lara W.; Gordon, Jeffrey I.] Washington Univ, Sch Med, Ctr Genome Sci, St Louis, MO 63108 USA. [Fulton, Robert S.; Wollam, Aye; Shah, Neha; Wang, Chunyan; Magrini, Vincent; Wilson, Richard K.] Washington Univ, Sch Med, Genome Sequencing Ctr, St Louis, MO 63108 USA. [Cantarel, Brandi L.; Coutinho, Pedro M.; Henrissat, Bernard] Univ Aix Marseille 1, Marseille, France. [Cantarel, Brandi L.; Coutinho, Pedro M.; Henrissat, Bernard] Univ Aix Marseille 2, Marseille, France. [Cantarel, Brandi L.; Henrissat, Bernard] CNRS, Unite Mixte Rech 6098, Marseille, France. [Russell, Alison; Verberkmoes, Nathan C.; Hettich, Robert L.] Oak Ridge Natl Lab, ORNL UTK Genome Sci & Technol Grad Sch, Oak Ridge, TN 37830 USA. RP Gordon, JI (reprint author), Washington Univ, Sch Med, Ctr Genome Sci, St Louis, MO 63108 USA. EM jgordon@wustl.edu RI Henrissat, Bernard/J-2475-2012; Hettich, Robert/N-1458-2016; OI Hettich, Robert/0000-0001-7708-786X; Seedorf, Henning/0000-0002-5763-0236; Turnbaugh, Peter/0000-0002-0888-2875 FU National Science Foundation [0333284]; National Institutes of Health [DK30292, DK70977, DK52574, GM07200, T32-AI07172]; Oak Ridge National Laboratory FX We thank Maria Karlsson and David O'Donnell for help with gnotobiotic husbandry; Jan Crowley, Janaki Guruge, Jill Manchester, and Sabrina Wagoner for technical assistance; Ruth Ley for valuable comments during the course of this work; and Manesh Shaw for proteomics data-mining and computational aspects related to mass spectrometry. This work was supported by National Science Foundation Grant 0333284 and National Institutes of Health Grants DK30292, DK70977, DK52574, GM07200, and T32-AI07172 and by the Laboratory Directed Research Program of Oak Ridge National Laboratory. NR 33 TC 236 Z9 486 U1 13 U2 132 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD APR 7 PY 2009 VL 106 IS 14 BP 5859 EP 5864 DI 10.1073/pnas.0901529106 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 430CX UT WOS:000264967500073 PM 19321416 ER PT J AU Hu, JZ Kwak, JH Yang, ZG Wan, XF Shaw, LL AF Hu, Jian Zhi Kwak, Ja Hun Yang, Zhenguo Wan, Xuefei Shaw, Leon L. TI Direct observation of ion exchange in mechanically activated LiH+MgB2 system using ultrahigh field nuclear magnetic resonance spectroscopy SO APPLIED PHYSICS LETTERS LA English DT Article DE ball milling; hydrogen storage; ion exchange; lithium compounds; magnesium compounds; nuclear magnetic resonance ID HYDROGEN-STORAGE MATERIALS; LITHIUM BOROHYDRIDE; COMPLEX HYDRIDES; H SYSTEMS; LIBH4; LI; DESTABILIZATION; RELEASE; CARBON; BORON AB The LiBH4+MgH2 system has great potential for hydrogen vehicle applications. In this study, the reported solid-state hydrogenation system made of LiH+1/2MgB(2) has been investigated using ultrahigh field nuclear magnetic resonance spectroscopy. It is found that Mg-Li ion exchange occurs within MgB2 during ball milling to form a compound of (Mg1-xLi2x)B-2, which facilitates the formation of LiBH4 in the subsequent hydriding reaction. This discovery offers a scientific foundation for investigating the detailed mechanisms of solid-state hydrogenation and dehydrogenation of the LiBH4+MgH2 system in the future. C1 [Hu, Jian Zhi; Kwak, Ja Hun; Yang, Zhenguo] Pacific NW Natl Lab, Richland, WA 99352 USA. [Wan, Xuefei; Shaw, Leon L.] Univ Connecticut, Dept Chem Mat & Biomol Engn, Storrs, CT 06269 USA. RP Hu, JZ (reprint author), Pacific NW Natl Lab, POB 999,MS K8-98, Richland, WA 99352 USA. EM jianzhi.hu@pnl.gov; leon.shaw@uconn.edu RI Hu, Jian Zhi/F-7126-2012; Wan, Xuefei/C-3342-2014; Kwak, Ja Hun/J-4894-2014 FU U. S. Department of Energy [DE-FC36-05GO15008] FX The research was sponsored by the U. S. Department of Energy under the Contract No. DE-FC36-05GO15008 with Dr. Ned T. Stetson as the Technology Manager. The NMR experiments were performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the DOE Office of Biological and Environmental Research, and located at the Pacific Northwest National Laboratory, USA. NR 38 TC 14 Z9 14 U1 2 U2 15 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 6 PY 2009 VL 94 IS 14 AR 141905 DI 10.1063/1.3110966 PG 3 WC Physics, Applied SC Physics GA 431SK UT WOS:000265083700018 ER PT J AU Jiang, DE Dai, S AF Jiang, De-en Dai, Sheng TI From Superatomic Au-25(SR)(18)(-) to Superatomic M@Au-24(SR)(18)(q) Core-Shell Clusters SO INORGANIC CHEMISTRY LA English DT Article ID THIOLATE-PROTECTED AU-38; GOLD CLUSTERS; CRYSTAL-STRUCTURE; METAL-CLUSTERS; NANOPARTICLES; LUMINESCENCE; AU-25; STABILITY; CATALYSIS; SEARCH AB Au-25(SR)(18)(-) belongs to a new type of superatom that features an icosahedral Au-13 core-shell structure and a protective layer of six RS(Au-SR)(2) motifs. This superatom has a magic number of 8 free electrons that fully fill the 1s and 1p levels of the electron-shell model. By applying this superatom concept to the core-substitution chemistry of Au-25(SR)(18)(-), we first scanned the periodic table for the potential core atom M by applying a simple rule derived from the 8-electron count and then optimized the selected candidates by density functional theory calculations to create many series of M@Au-24(SR)(18)(q) core-shell nanoclusters. We found that 16 elements from groups 1, 2, and 10-14 of the periodic table can maintain both electronic and geometric structures of the original Au-25(SR)(18)(-) magic cluster, indicating that the electron-counting rule based on the superatom concept is powerful in predicting viable M@Au-24(SR)(18)(q) clusters. Our work opens up a promising area for experimental exploration. C1 [Jiang, De-en; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Dai, Sheng] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Jiang, DE (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM jiangd@ornl.gov RI 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 Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC05-00OR22725] FX This work was supported by Office of Basic Energy Sciences, U.S. Department of Energy, under Contract DE-AC05-00OR22725 with UT-Battelle, LLC. NR 35 TC 87 Z9 87 U1 4 U2 36 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD APR 6 PY 2009 VL 48 IS 7 BP 2720 EP 2722 DI 10.1021/ic8024588 PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 427DH UT WOS:000264759500005 PM 19236016 ER PT J AU Fishman, RS Clemente-Leon, M Coronado, E AF Fishman, Randy S. Clemente-Leon, Miguel Coronado, Eugenio TI Magnetic Compensation and Ordering in the Bimetallic Oxalates: Why Are the 2D and 3D Series so Different? SO INORGANIC CHEMISTRY LA English DT Article ID MOLECULAR-BASED MAGNETS; M-II; BRIDGED NETWORKS; CHIRAL MAGNETS; SPIN-CROSSOVER; MIXED-VALENCY; FE; MN; OX; COMPLEXES AB Although the exchange coupling and local crystal-field environment are almost identical in the two-dimensional (2D) and three-dimensional (3D) series of bimetallic oxalates, those two classes of materials exhibit quite different magnetic properties. Using mean-field theory to treat the exchange interaction, we evaluate the transition temperatures and magnetizations of the 3D Fe(II)Fe(III) and Mn(II)Cr(III) bimetallic oxalates. Because of the tetrahedral coordination of the chiral anisotropy axis, the 3D bimetallic oxalates have lower transition temperatures than their 2D counterparts, and much stronger anisotropy is required to produce magnetic compensation in the 3D Fe(II)Fe(III) compounds. The spin-orbit coupling with the non-collinear orbital moments causes the spins to cant in both 3D compounds. C1 [Fishman, Randy S.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Clemente-Leon, Miguel; Coronado, Eugenio] Univ Valencia, Inst Ciencia Mol, Paterna 46980, Spain. [Clemente-Leon, Miguel] FGUV, Paterna 46980, Spain. RP Fishman, RS (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM fishmarns@ornl.gov RI Fishman, Randy/C-8639-2013; Coronado, Eugenio/E-8960-2014; Clemente-Leon, Miguel/L-7579-2014; icmol, icmol/I-5784-2015 FU Division of Materials Science and Engineering of the U.S. Department of Energy; Spanish Ministerio de Ciencia e Innovacion [CSD2007-00010, CTQ2005-09385-C03, MAT2007-61584] FX We would like to acknowledge conversations with Drs. Satoshi Okamoto and Fernando Reboredo. This research was sponsored by the Division of Materials Science and Engineering of the U.S. Department of Energy and by the Spanish Ministerio de Ciencia e Innovacion (Project Consolider-Ingenio in Molecular Nano-science CSD2007-00010, and projects CTQ2005-09385-C03 and MAT2007-61584). NR 37 TC 15 Z9 15 U1 0 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD APR 6 PY 2009 VL 48 IS 7 BP 3039 EP 3046 DI 10.1021/ic802341k PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 427DH UT WOS:000264759500040 PM 19253987 ER PT J AU Pailloux, S Shirima, CE Ray, AD Duesler, EN Paine, RT Klaehn, JR Mcllwain, ME Hay, BP AF Pailloux, Sylvie Shirima, Cornel Edicome Ray, Alisha D. Duesler, Eileen N. Paine, Robert T. Klaehn, John R. Mcllwain, Michael E. Hay, Benjamin P. TI Synthesis and Coordination Properties of Trifluoromethyl Decorated Derivatives of 2,6-Bis[(diphenylphosphinoyl)methyl]pyridine N-Oxide Ligands with Lanthanide Ions SO INORGANIC CHEMISTRY LA English DT Article ID ACIDIC RADIOACTIVE-WASTE; EXTRACTION UNEX PROCESS; AQUEOUS NITRATE MEDIA; SOLVENT-EXTRACTION; PHOSPHINE OXIDES; N,P,P'-TRIOXIDE; AMERICIUM(III); COMPLEXES; CHEMISTRY; STRONTIUM AB Phosphinoyl Grignard-based substitutions on 2,6-bis(chloromethyl)pyridine followed by N-oxidation of the intermediate 2,6-bis(phosphinoyl)methylpyridine compounds with mCPBA give the target trifunctional ligands 2,6-bis[bis(2-trifluoromethylphenyl)phosphinoylmethyl]pyridine 1-oxide (2a) and 2,6-bis[bis(3,5-bis(trifluoromethyl)phenyl)phosphinoylmethyl]pyridine 1-oxide (2b) in high yields. The ligands have been spectroscopically characterized, the molecular structures confirmed by single crystal X-ray diffraction methods, and the coordination chemistry surveyed with lanthanide nitrates. Single crystal X-ray diffraction analyses are described for the coordination complexes Nd(2a)(NO(3))(3), Nd(2a)(NO(3))(3)center dot(CH(3)CN)(0.5), Eu(2a)(NO(3))(3), and Nd(2b)(NO(3))(3)center dot(H(2)O)(1.25); in each case the ligand binds in a tridentate mode to the Ln(III) cation. These structures are compared with the structures found for lanthanide coordination complexes of the parent NOPOPO ligand, [Ph(2)P(O)CH(2)](2)C(5)H(3)NO. C1 [Pailloux, Sylvie; Shirima, Cornel Edicome; Ray, Alisha D.; Duesler, Eileen N.; Paine, Robert T.] Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA. [Klaehn, John R.; Mcllwain, Michael E.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Hay, Benjamin P.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Paine, RT (reprint author), Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA. EM rtpaine@unm.edu RI Klaehn, John/C-6011-2017; OI Klaehn, John/0000-0002-7077-4509; Pailloux, Sylvie/0000-0001-7318-7089 FU U.S. Department of Energy (DOE), Chemical Sciences, Geo-sciences and Biosciences Office, Office of Basic Energy Sciences [DE-FG02-03ER15419] FX Acknowledgment is made to the U.S. Department of Energy (DOE), Chemical Sciences, Geo-sciences and Biosciences Office, Office of Basic Energy Sciences (Grant DE-FG02-03ER15419) for financial support at UNM (R.T.P.). NR 43 TC 23 Z9 23 U1 1 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD APR 6 PY 2009 VL 48 IS 7 BP 3104 EP 3113 DI 10.1021/ic802390c PG 10 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 427DH UT WOS:000264759500048 PM 19245251 ER PT J AU Shawkey, MD Saranathan, V Palsdottir, H Crum, J Ellisman, MH Auer, M Prum, RO AF Shawkey, Matthew D. Saranathan, Vinodkumar Palsdottir, Hildur Crum, John Ellisman, Mark H. Auer, Manfred Prum, Richard O. TI Electron tomography, three-dimensional Fourier analysis and colour prediction of a three-dimensional amorphous biophotonic nanostructure SO JOURNAL OF THE ROYAL SOCIETY INTERFACE LA English DT Article; Proceedings Paper CT Conference on Iridescence - More than Meets the Eye CY FEB 06-09, 2008 CL Arizona State Univ, Tempe, AZ HO Arizona State Univ DE biophotonics; structural colour; tomography; Fourier analysis; feathers ID COHERENT-LIGHT SCATTERING; DERMAL COLLAGEN ARRAYS; STRUCTURAL COLORATION; FEATHER BARBS; COMPUTER VISUALIZATION; CONVERGENT EVOLUTION; BUTTERFLIES; SYSTEM; SKIN; EYE AB Organismal colour can be created by selective absorption of light by pigments or light scattering by photonic nanostructures. Photonic nanostructures may vary in refractive index over one, two or three dimensions and may be periodic over large spatial scales or amorphous with short-range order. Theoretical optical analysis of three-dimensional amorphous nanostructures has been challenging because these structures are difficult to describe accurately from conventional two-dimensional electron microscopy alone. Intermediate voltage electron microscopy ( IVEM) with tomographic reconstruction adds three-dimensional data by using a high-power electron beam to penetrate and image sections of material sufficiently thick to contain a significant portion of the structure. Here, we use IVEM tomography to characterize a non-iridescent, three-dimensional biophotonic nanostructure: the spongy medullary layer from eastern bluebird Sialia sialis feather barbs. Tomography and three-dimensional Fourier analysis reveal that it is an amorphous, interconnected bicontinuous matrix that is appropriately ordered at local spatial scales in all three dimensions to coherently scatter light. The predicted reflectance spectra from the three-dimensional Fourier analysis are more precise than those predicted by previous two-dimensional Fourier analysis of transmission electron microscopy sections. These results highlight the usefulness, and obstacles, of tomography in the description and analysis of three-dimensional photonic structures. C1 [Shawkey, Matthew D.] Univ Akron, Dept Biol & Integrated Biosci Program, Akron, OH 44325 USA. [Saranathan, Vinodkumar; Prum, Richard O.] Yale Univ, Dept Ecol & Evolut Biol, New Haven, CT 06511 USA. [Saranathan, Vinodkumar; Prum, Richard O.] Yale Univ, Peabody Museum Nat Hist, New Haven, CT 06511 USA. [Palsdottir, Hildur; Auer, Manfred] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Crum, John; Ellisman, Mark H.] Univ Calif San Diego, Natl Ctr Microscopy & Imaging Res, La Jolla, CA 92093 USA. RP Shawkey, MD (reprint author), Univ Akron, Dept Biol & Integrated Biosci Program, Akron, OH 44325 USA. EM mshawkey@nature.berkeley.edu RI Crum, John/B-2477-2009; OI Saranathan, Vinodkumar/0000-0003-4058-5093; Shawkey, Matthew/0000-0002-5131-8209 FU NCRR NIH HHS [P41 RR004050, P41RR04050] NR 42 TC 28 Z9 29 U1 3 U2 7 PU ROYAL SOC PI LONDON PA 6-9 CARLTON HOUSE TERRACE, LONDON SW1Y 5AG, ENGLAND SN 1742-5689 EI 1742-5662 J9 J R SOC INTERFACE JI J. R. Soc. Interface PD APR 6 PY 2009 VL 6 SU 2 BP S213 EP S220 DI 10.1098/rsif.2008.0374.focus PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 421KQ UT WOS:000264358200009 PM 19158016 ER PT J AU Abazov, VM Abbott, B Abolins, M Acharya, BS Adams, M Adams, T Aguilo, E Ahsan, M Alexeev, GD Alkhazov, G Alton, A Alverson, G Alves, GA Anastasoaie, M Ancu, LS Andeen, T Andrieu, B Anzelc, MS Aoki, M Arnoud, Y Arov, M Arthaud, M Askew, A Asman, B Jesus, ACSA Atramentov, O Avila, C BackusMayes, J Badaud, F Bagby, L Baldin, B Bandurin, DV Banerjee, P Banerjee, S Barberis, E Barfuss, AF Bargassa, P Baringer, P Barreto, J Bartlett, JF Bassler, U Bauer, D Beale, S Bean, A Begalli, M Begel, M Belanger-Champagne, C Bellantoni, L Bellavance, A Benitez, JA Beri, SB Bernardi, G Bernhard, R Bertram, I Besancon, M Beuselinck, R Bezzubov, VA Bhat, PC Bhatnagar, V Blazey, G Blekman, F Blessing, S Bloom, K Boehnlein, A Boline, D Bolton, TA Boos, EE Borissov, G Bose, T Brandt, A Brock, R Brooijmans, G Bross, A Brown, D Bu, XB Buchanan, NJ Buchholz, D Buehler, M Buescher, V Bunichev, V Burdin, S Burnett, TH Buszello, CP Calfayan, P Calpas, B Calvet, S Cammin, J Carrasco-Lizarraga, MA Carrera, E Carvalho, W Casey, BCK Castilla-Valdez, H Chakrabarti, S Chakraborty, D Chan, KM Chandra, A Cheu, E Cho, DK Choi, S Choudhary, B Christofek, L Christoudias, T Cihangir, S Claes, D Clutter, J Cooke, M Cooper, WE Corcoran, M Couderc, F Cousinou, MC Crepe-Renaudin, S Cuplov, V Cutts, D Cwiok, M da Motta, H Das, A Davies, G De, K de Jong, SJ De la Cruz-Burelo, E Martins, CD DeVaughan, K Deliot, F Demarteau, M Demina, R Denisov, D Denisov, SP Desai, S Diehl, HT Diesburg, M Dominguez, A Dorland, T Dubey, A Dudko, LV Duflot, L Dugad, SR Duggan, D Duperrin, A Dutt, S Dyer, J Dyshkant, A Eads, M Edmunds, D Ellison, J Elvira, VD Enari, Y Eno, S Ermolov, P Escalier, M Evans, H Evdokimov, A Evdokimov, VN Ferapontov, AV Ferbel, T Fiedler, F Filthaut, F Fisher, W Fisk, HE Fortner, M Fox, H Fu, S Fuess, S Gadfort, T Galea, CF Garcia, C Garcia-Bellido, A Gavrilov, V Gay, P Geist, W Geng, W Gerber, CE Gershtein, Y Gillberg, D Ginther, G Gomez, B Goussiou, A Grannis, PD Greenlee, H Greenwood, ZD Gregores, EM Grenier, G Gris, P Grivaz, JF Grohsjean, A Grunendahl, S Grunewald, MW Guo, F Guo, J Gutierrez, G Gutierrez, P Haas, A Hadley, NJ Haefner, P Hagopian, S Haley, J Hall, I Hall, RE Han, L Harder, K Harel, A Hauptman, JM Hays, J Hebbeker, T Hedin, D Hegeman, JG Heinson, AP Heintz, U Hensel, C Herner, K Hesketh, G Hildreth, MD Hirosky, R Hoang, T Hobbs, JD Hoeneisen, B Hohlfeld, M Hossain, S Houben, P Hu, Y Hubacek, Z Huske, N Hynek, V Iashvili, I Illingworth, R Ito, AS Jabeen, S Jaffre, M Jain, S Jakobs, K Jarvis, C Jesik, R Johns, K Johnson, C Johnson, M Johnston, D Jonckheere, A Jonsson, P Juste, A Kajfasz, E Karmanov, D Kasper, PA Katsanos, I Kaushik, V Kehoe, R Kermiche, S Khalatyan, N Khanov, A Kharchilava, A Kharzheev, YN Khatidze, D Kim, TJ Kirby, MH Kirsch, M Klima, B 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Schamberger, R. D. Scheglov, Y. Schellman, H. Schliephake, T. Schlobohm, S. Schwanenberger, C. Schwienhorst, R. Sekaric, J. Severini, H. Shabalina, E. Shamim, M. Shary, V. Shchukin, A. A. Shivpuri, R. K. Siccardi, V. Simak, V. Sirotenko, V. Skubic, P. Slattery, P. Smirnov, D. Snow, G. R. Snow, J. Snyder, S. Soeldner-Rembold, S. Sonnenschein, L. Sopczak, A. Sosebee, M. Soustruznik, K. Spurlock, B. Stark, J. Stolin, V. Stoyanova, D. A. Strandberg, J. Strandberg, S. Strang, M. A. Strauss, E. Strauss, M. Stroehmer, R. Strom, D. Stutte, L. Sumowidagdo, S. Svoisky, P. Sznajder, A. Tanasijczuk, A. Taylor, W. Tiller, B. Tissandier, F. Titov, M. Tokmenin, V. V. Torchiani, I. Tsybychev, D. Tuchming, B. Tully, C. Tuts, P. M. Unalan, R. Uvarov, L. Uvarov, S. Uzunyan, S. Vachon, B. van den Berg, P. J. Van Kooten, R. van Leeuwen, W. M. Varelas, N. Varnes, E. W. Vasilyev, I. A. Verdier, P. Vertogradov, L. S. Verzocchi, M. Vilanova, D. Villeneuve-Seguier, F. Vint, P. Vokac, P. Voutilainen, M. Wagner, R. Wahl, H. D. Wang, M. H. L. S. Warchol, J. Watts, G. Wayne, M. Weber, G. Weber, M. Welty-Rieger, L. Wenger, A. Wermes, N. Wetstein, M. White, A. Wicke, D. Williams, M. R. J. Wilson, G. W. Wimpenny, S. J. Wobisch, M. Wood, D. R. Wyatt, T. R. Xie, Y. Xu, C. Yacoob, S. Yamada, R. Yang, W. -C. Yasuda, T. Yatsunenko, Y. A. Ye, Z. Yin, H. Yip, K. Yoo, H. D. Youn, S. W. Yu, J. Zeitnitz, C. Zelitch, S. Zhao, T. Zhou, B. Zhu, J. Zielinski, M. Zieminska, D. Zivkovic, L. Zutshi, V. Zverev, E. G. CA DO Collaboration TI Search for admixture of scalar top quarks in the t(t)over-bar lepton + jets final state at root s=1.96 TeV SO PHYSICS LETTERS B LA English DT Article ID P(P)OVER-BAR COLLISIONS; HADRON COLLIDERS; ROOT-S=1.96 TEV; JETS; EVENTS AB A search for pair production of the lightest supersymmetric partner of the top quark, (t) over tilde (1), is performed in the lepton + jets channel using 0.9 fb(-1) of data collected by the D circle divide experiment. Kinematic differences between (t) over tilde (1)(t) over tilde (1) and the dominant top quark pair production background are used to separate the two processes. First limits from Run II of the Fermilab Tevatron Collider for the scalar top quark decaying to a chargino and a b quark ((t) over tilde1 -> (chi) over tilde (+)(1)b) are obtained for scalar top quark masses of 130-190 GeV and chargino masses of 90-150 GeV. (C) 2009 Elsevier B.V. All rights reserved. C1 [Abazov, V. M.; Alexeev, G. D.; Kharzheev, Y. N.; Malyshev, V. L.; Tokmenin, V. V.; Vertogradov, L. S.; Yatsunenko, Y. A.] Joint Inst Nucl Res, Dubna, Russia. [Otero y Garzon, G. J.; Piegaia, R.; Tanasijczuk, A.] Univ Buenos Aires, Buenos Aires, DF, Argentina. [Alves, G. A.; Barreto, J.; da Motta, H.; Maciel, A. K. A.; Pol, M. -E.; Rangel, M. S.] Ctr Brasileiro Pesquisas Fis, LAFEX, Rio De Janeiro, Brazil. [Assis Jesus, A. C. S.; Begalli, M.; Carvalho, W.; De Oliveira Martins, C.; Malbouisson, H. 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R.; Uzunyan, S.; Zutshi, V.] No Illinois Univ, De Kalb, IL 60115 USA. [Andeen, T.; Anzelc, M. S.; Buchholz, D.; Kirby, M. H.; Schellman, H.; Strom, D.; Yacoob, S.; Youn, S. W.] Northwestern Univ, Evanston, IL 60208 USA. [Evans, H.; Parua, N.; Van Kooten, R.; Welty-Rieger, L.; Zieminska, D.] Indiana Univ, Bloomington, IN 47405 USA. [Chan, K. M.; Hildreth, M. D.; Lam, D.; Osta, J.; Pogorelov, Y.; Ruchti, R.; Smirnov, D.; Warchol, J.; Wayne, M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Parashar, N.] Purdue Univ Calumet, Hammond, IN 46323 USA. [Hauptman, J. M.] Iowa State Univ, Ames, IA 50011 USA. [Baringer, P.; Bean, A.; Clutter, J.; Moulik, T.; Wilson, G. W.] Univ Kansas, Lawrence, KS 66045 USA. [Ahsan, M.; Bandurin, D. V.; Bolton, T. A.; Cuplov, V.; Maravin, Y.; Onoprienko, D.; Shamim, M.] Kansas State Univ, Manhattan, KS 66506 USA. [Arov, M.; Greenwood, Z. D.; Sawyer, L.; Wobisch, M.] Louisiana Tech Univ, Ruston, LA 71272 USA. [Eno, S.; Ferbel, T.; Hadley, N. 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[Brooijmans, G.; Gadfort, T.; Haas, A.; Johnson, C.; Katsanos, I.; Khatidze, D.; Lammers, S.; Mitrevski, J.; Mulhearn, M.; Parsons, J.; Tuts, P. M.; Zivkovic, L.] Columbia Univ, New York, NY 10027 USA. [Cammin, J.; Demina, R.; Ferbel, T.; Garcia, C.; Garcia-Bellido, A.; Ginther, G.; Harel, A.; Slattery, P.; Zielinski, M.] Univ Rochester, Rochester, NY 14627 USA. [Chakrabarti, S.; Grannis, P. D.; Guo, F.; Guo, J.; Herner, K.; Hobbs, J. D.; Hu, Y.; McCarthy, R.; Rijssenbeek, M.; Schamberger, R. D.; Strauss, E.; Tsybychev, D.; Zhu, J.] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Begel, M.; Evdokimov, A.; Patwa, A.; Protopopescu, S.; Snyder, S.; Yip, K.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Snow, J.] Langston Univ, Langston, OK 73050 USA. [Abbott, B.; Gutierrez, P.; Hossain, S.; Jain, S.; Rominsky, M.; Severini, H.; Skubic, P.; Strauss, M.] Univ Oklahoma, Norman, OK 73019 USA. [Khanov, A.; Rizatdinova, F.] Oklahoma State Univ, Stillwater, OK 74078 USA. [Bose, T.; Christofek, L.; Cutts, D.; Enari, Y.; Landsberg, G.; Narain, M.; Pangilinan, M.; Partridge, R.; Xie, Y.; Yoo, H. D.] Brown Univ, Providence, RI 02912 USA. [Brandt, A.; De, K.; Kaushik, V.; Li, J.; Sosebee, M.; Spurlock, B.; White, A.; Yu, J.] Univ Texas Arlington, Arlington, TX 76019 USA. [Kehoe, R.; Renkel, P.] So Methodist Univ, Dallas, TX 75275 USA. [Bargassa, P.; Corcoran, M.; Mackin, D.; Padley, P.; Pawloski, G.] Rice Univ, Houston, TX 77005 USA. [Buehler, M.; Hirosky, R.; Zelitch, S.] Univ Virginia, Charlottesville, VA 22901 USA. [BackusMayes, J.; Burnett, T. H.; Dorland, T.; Goussiou, A.; Lubatti, H. J.; Mal, P. K.; Schlobohm, S.; Watts, G.; Zhao, T.] Univ Washington, Seattle, WA 98195 USA. RP Abazov, VM (reprint author), Joint Inst Nucl Res, Dubna, Russia. RI Ancu, Lucian Stefan/F-1812-2010; Shivpuri, R K/A-5848-2010; Gutierrez, Phillip/C-1161-2011; Mundim, Luiz/A-1291-2012; bu, xuebing/D-1121-2012; Dudko, Lev/D-7127-2012; Leflat, Alexander/D-7284-2012; Perfilov, Maxim/E-1064-2012; Boos, Eduard/D-9748-2012; Merkin, Mikhail/D-6809-2012; Novaes, Sergio/D-3532-2012; Mercadante, Pedro/K-1918-2012; Li, Liang/O-1107-2015; Yip, Kin/D-6860-2013; Fisher, Wade/N-4491-2013; De, Kaushik/N-1953-2013; Alves, Gilvan/C-4007-2013; Deliot, Frederic/F-3321-2014; Sharyy, Viatcheslav/F-9057-2014; Lokajicek, Milos/G-7800-2014; Kupco, Alexander/G-9713-2014; Kozelov, Alexander/J-3812-2014; Christoudias, Theodoros/E-7305-2015; KIM, Tae Jeong/P-7848-2015; Sznajder, Andre/L-1621-2016 OI Ancu, Lucian Stefan/0000-0001-5068-6723; Mundim, Luiz/0000-0001-9964-7805; Dudko, Lev/0000-0002-4462-3192; Novaes, Sergio/0000-0003-0471-8549; Li, Liang/0000-0001-6411-6107; Yip, Kin/0000-0002-8576-4311; De, Kaushik/0000-0002-5647-4489; Sharyy, Viatcheslav/0000-0002-7161-2616; Christoudias, Theodoros/0000-0001-9050-3880; KIM, Tae Jeong/0000-0001-8336-2434; Sznajder, Andre/0000-0001-6998-1108 FU DOE; NSF (USA); CEA; CNRS/IN2P3 (France); FASI; Rosatom; RFBR (Russia); CNPq; FAPERJ; FAPESP; FUNDUNESP (Brazil); DAE; DST (India); Colciencias (Colombia); CONACyT (Mexico); KRF; KOSEF (Korea); CONICET; UBACyT (Argentina); FOM (The Netherlands); STFC (United Kingdom); MSMT; GACR (Czech Republic); CRC Program; CFI; NSERC; WestGrid Project (Canada); BMBF; DFG (Germany); SFI (Ireland); The Swedish Research Council (Sweden); CAS; CNSF (China); Alexander von Humboldt Foundation (Germany) FX We thank the staffs at Fermilab and collaborating institutions, and acknowledge support from the DOE and NSF (USA): CEA and CNRS/IN2P3 (France); FASI, Rosatom and RFBR (Russia); CNPq, FAPERJ, FAPESP and FUNDUNESP (Brazil); DAE and DST (India); Colciencias (Colombia); CONACyT (Mexico); KRF and KOSEF (Korea); CONICET and UBACyT (Argentina); FOM (The Netherlands); STFC (United Kingdom): MSMT and GACR (Czech Republic): CRC Program, CFI, NSERC and WestGrid Project (Canada); BMBF and DFG (Germany); SFI (Ireland); The Swedish Research Council (Sweden): CAS and CNSF (China): and the Alexander von Humboldt Foundation (Germany). NR 24 TC 17 Z9 17 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD APR 6 PY 2009 VL 674 IS 1 BP 4 EP 10 DI 10.1016/j.physletb.2009.02.027 PG 7 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 434CY UT WOS:000265254000002 ER PT J AU Song, SJ Lee, TH Dorris, SE Balachandran, U AF Song, Sun-Ju Lee, Tae H. Dorris, Steve E. Balachandran, U. (Balu) TI Novel Design of Dual Functional Hydrogen Separation Membranes SO CHEMISTRY LETTERS LA English DT Article ID CERMET MEMBRANES AB The novel design of cermet membranes is reported here, which are capable of simultaneously transporting two gas species through membrane metal with high hydrogen permeability in a thermodynamically stable oxygen-ion-conducting ceramic matrix. This novel, dual-function cermet membrane should allow the maximum hydrogen production by combining the ability of hydrogen production from water with the function of hydrogen separation on membranes. An hydrogen production rate of ca. 2.7 cm(3) (STP)/min.cm(2) for 0.21-mm-thick membrane at 900 degrees C was obtained, using 50 vol% water vapor on one side of the membrane and 80%/20% hydrogen/helium on the other side. C1 [Song, Sun-Ju] Chonnam Natl Univ, Dept Mat Sci & Engn, Kwangju 500757, South Korea. [Lee, Tae H.; Dorris, Steve E.; Balachandran, U. (Balu)] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Song, SJ (reprint author), Chonnam Natl Univ, Dept Mat Sci & Engn, 300 Yongbong Dong, Kwangju 500757, South Korea. EM song@chonnam.ac.kr FU Manpower Development Program for Energy Resources; Ministry of Knowledge and Economy (MIKE) FX This work was the outcome of a Manpower Development Program for Energy & Resources supported by the Ministry of Knowledge and Economy (MIKE). NR 9 TC 6 Z9 6 U1 1 U2 8 PU CHEMICAL SOC JAPAN PI TOKYO PA 1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN SN 0366-7022 EI 1348-0715 J9 CHEM LETT JI Chem. Lett. PD APR 5 PY 2009 VL 38 IS 4 BP 344 EP 345 DI 10.1246/cl.2009.344 PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 438QZ UT WOS:000265571800020 ER PT J AU Vennila, RS Drozd, V George, L Saxena, SK Liermann, HP Liu, HZ Stowe, AC Berseth, P Anton, D Zidan, R AF Vennila, R. Selva Drozd, Vadym George, Lyci Saxena, Surendra K. Liermann, Hanns-Peter Liu, H. Z. Stowe, Ashley C. Berseth, Polly Anton, Donald Zidan, Ragaiy TI Structural study of ball-milled sodium alanate under high pressure SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE Hydrogen absorbing materials; Phase transitions; Crystal structure; Strain, High pressure; X-ray diffraction ID X-RAY-DIFFRACTION; HYDROGEN STORAGE; PHASE-TRANSFORMATIONS; ALUMINUM-HYDRIDE; NAALH4; DECOMPOSITION; SPECTROSCOPY AB Ball-milled NaAlH(4) was studied up to 15 GPa in a diamond anvil cell (DAC) by X-ray diffraction using a synchrotron radiation source. Lattice parameters were determined from the X-ray diffraction data at various pressures up to 6.5 GPa. Intensity of the powder diffraction patterns decreased with increasing pressure. Amorphisation started at a pressure of similar to 6.5 GPa and completed at 13.5 GPa. Reversible phase transformation from amorphous phase to the tetragonal phase was observed. A fit to the pressure-volume data equation of state was obtained using the Birch-Murnaghan equation of state and the bulk modulus was found to be 52.16 +/- 0.9 GPa which is twice higher than the unmilled NaAlH(4). (c) 2008 Elsevier B.V. All rights reserved. C1 [Vennila, R. Selva; Drozd, Vadym; George, Lyci; Saxena, Surendra K.] Florida Int Univ, Ctr Study Matter Extreme Condit, Miami, FL 33199 USA. [Liermann, Hanns-Peter] Argonne Natl Lab, Adv Photon Source, HPCAT, Argonne, IL 60439 USA. [Liermann, Hanns-Peter] Argonne Natl Lab, Adv Photon Source, Geophys Lab, Argonne, IL 60439 USA. [Liu, H. Z.] Carnegie Inst Washington, HPCAT, Geophys Lab, Argonne, IL 60439 USA. [Stowe, Ashley C.; Berseth, Polly; Anton, Donald; Zidan, Ragaiy] Energy Secur Dept, Savannah River Natl Lab, Aiken, SC 29808 USA. RP Vennila, RS (reprint author), Florida Int Univ, Ctr Study Matter Extreme Condit, 11200 SW 8th St,Bldg VH,Room 140, Miami, FL 33199 USA. EM selva.raju@fiu.edu RI Drozd, Vadym/B-2518-2009; Liu, Haozhe/E-6169-2011 FU Air Force [212600548]; National Science Foundation [212600556]; DOE-BES; DOE-NNSA (CDAC); NSF; DOD-TACOM; DOE-BES [W-31-109-ENG-38]; DOE Office of Basic Energy Science [KP1301020] FX We acknowledge the Air Force Grant No. 212600548 and National Science Foundation grant no. 212600556 for the financial support to carryout the above research work. This work was performed at HPCAT (Sector 16), Advanced Photon Source (APS), Argonne National Laboratory. Use of the HPCAT facility was supported by DOE-BES, DOE-NNSA (CDAC), NSF, DOD-TACOM, and the W.M. Keck Foundation. Use of the APS was supported by DOE-BES, under Contract No. W-31-109-ENG-38. Drs. Zidan, Anton, Stowe Berseth would like to thank the DOE Office of Basic Energy Science for support under grant no. KP1301020. NR 31 TC 4 Z9 4 U1 0 U2 13 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD APR 3 PY 2009 VL 473 IS 1-2 BP 576 EP 578 DI 10.1016/j.jallcom.2008.06.036 PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 428ZL UT WOS:000264890500117 ER PT J AU Weil, KS Hovanski, Y Lavender, CA AF Weil, K. S. Hovanski, Y. Lavender, C. A. TI Effects of TiCl4 purity on the sinterability of Armstrong-processed Ti powder SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE cp-Titanium; Sintering; Armstrong process; Thermal analysis ID SELF-DIFFUSION; TITANIUM AB The sintering behavior of titanium powder produced via the Armstrong process from two different grades of TiCl4 was investigated by a combination of thermal, chemical, and microstructural analysis techniques. It was found that the use of lower grade TiCl4 leads to higher part density due to a difference in sintering behavior that affects the entrapment of volatiles within the sintered body. (C) 2008 Published by Elsevier B.V. C1 [Weil, K. S.; Hovanski, Y.; Lavender, C. A.] Pacific NW Natl Lab, Dept Mat Sci, Richland, WA 99352 USA. RP Weil, KS (reprint author), Pacific NW Natl Lab, Dept Mat Sci, POB 999, Richland, WA 99352 USA. EM scott.weil@pnl.gov FU U.S. Department of Energy; Office of Energy Efficiency and Renewable Energy; The Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the United States Department of Energy (U.S. DOE) [DE-AC06-76RLO 1830] FX The authors would like to acknowledge Dynamet Technology for help in conducting initial characterization of the Lot I powder, Mike Hyzny at DuPont, Inc. for preparing the two grades of TiC14, Lance Jacobsen at ITP for synthesizing the two powders lots, and John Hardy and Benjamin McCarthy at PNNL for conducting dilatometry testing. This work was supported by the U.S. Department of Energy. Office of Energy Efficiency and Renewable Energy. The Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the United States Department of Energy (U.S. DOE) under Contract DE-AC06-76RLO 1830. NR 22 TC 4 Z9 6 U1 0 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD APR 3 PY 2009 VL 473 IS 1-2 BP L39 EP L43 DI 10.1016/j.jallcom.2008.06.097 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 428ZL UT WOS:000264890500010 ER PT J AU Beste, A Buchanan, AC AF Beste, Ariana Buchanan, A. C., III TI Computational Study of Bond Dissociation Enthalpies for Lignin Model Compounds. Substituent Effects in Phenethyl Phenyl Ethers SO JOURNAL OF ORGANIC CHEMISTRY LA English DT Article ID DENSITY-FUNCTIONAL THEORY; LOW-RANK COAL; ALPHA/BETA-SELECTIVITIES; RADICAL STABILITY; O-H; PYROLYSIS; ENERGIES; PERSPECTIVE; PREDICTION; LINKAGES AB Lignin is an abundant natural resource that is a potential source of valuable chemicals. Improved understanding of the pyrolysis of lignin occurs through the study of model compounds for which phenethyl phenyl ether (PhCH(2)CH(2)OPh, PPE) is the simplest example representing the dominant beta-O-4 ether linkage. The initial step in the thermal decomposition of PPE is the homolytic cleavage of the oxygen-carbon bond. The rate of this key step will depend on the bond dissociation enthalpy, which in turn will depend on the nature and location of relevant substituents. We used modern density functional methods to calculate the oxygen-carbon bond dissociation enthalpies for PPE and several oxygen-substituted derivatives. Since carbon-carbon bond cleavage in PPE could be a competitive initial reaction under high-temperature pyrolysis conditions, we also calculated substituent effects on these bond dissociation enthalpies. We found that the oxygen-carbon bond dissociation enthalpy is substantially lowered by oxygen substituents situated at the phenyl ring adjacent to the ether oxygen. On the other hand, the carbon-carbon bond dissociation enthalpy shows little variation with different substitution patterns on either phenyl ring. C1 [Beste, Ariana] Univ Tennessee, Joint Inst Computat Sci, Oak Ridge, TN 37831 USA. [Buchanan, A. C., III] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Beste, A (reprint author), Univ Tennessee, Joint Inst Computat Sci, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM bestea@ornl.gov OI Beste, Ariana/0000-0001-9132-792X FU Division of Chemical Sciences, Geosciences, and Biosciences; U.S. Department of Energy [DE-AC05-00OR22725]; Oak Ridge National Laboratory FX This research was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy, under contract DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed and operated by UT-Battelle, NR 23 TC 62 Z9 73 U1 4 U2 63 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0022-3263 J9 J ORG CHEM JI J. Org. Chem. PD APR 3 PY 2009 VL 74 IS 7 BP 2837 EP 2841 DI 10.1021/jo9001307 PG 5 WC Chemistry, Organic SC Chemistry GA 425HK UT WOS:000264627400027 PM 19260664 ER PT J AU Aubert, B Bona, M Karyotakis, Y Lees, JP Poireau, V Prencipe, E Prudent, X Tisserand, V Tico, JG Grauges, E Lopez, L Palano, A Pappagallo, M Eigen, G Stugu, B Sun, L Abrams, GS Battaglia, M Brown, DN Cahn, RN Jacobsen, RG Kerth, LT Kolomensky, YG Lynch, G Osipenkov, IL Ronan, MT Tackmann, K Tanabe, T Hawkes, CM Soni, N Watson, AT Koch, H Schroeder, T Walker, D Asgeirsson, DJ Fulsom, BG Hearty, C Mattison, TS McKenna, JA Barrett, M Khan, A Blinov, VE Bukin, AD Buzykaev, AR Druzhinin, VP Golubev, VB Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Todyshev, KY Bondioli, M Curry, S Eschrich, I Kirkby, D Lankford, AJ Lund, P Mandelkern, M Martin, EC Stoker, DP Abachi, S Buchanan, C Gary, JW Liu, F Long, O Shen, BC Vitug, GM Yasin, Z Zhang, L Sharma, V Campagnari, C Hong, TM Kovalskyi, D Mazur, MA Richman, JD Beck, TW Eisner, AM 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S Chaisanguanthum, KS Morii, M Adametz, A Marks, J Schenk, S Uwer, U Klose, V Lacker, HM Bard, DJ Dauncey, PD Nash, JA Tibbetts, M Behera, PK Chai, X Charles, MJ Mallik, U Cochran, J Crawley, HB Dong, L Meyer, WT Prell, S Rosenberg, EI Rubin, AE Gao, YY Gritsan, AV Guo, ZJ Lae, CK Arnaud, N Bequilleux, J D'Orazio, A Davier, M da Costa, JF Grosdidier, G Hocker, A Lepeltier, V Le Diberder, F Lutz, AM Pruvot, S Roudeau, P Schune, MH Serrano, J Sordini, V Stocchi, A Wormser, G Lange, DJ Wright, DM Bingham, I Burke, JP Chavez, CA Fry, JR Gabathuler, E Gamet, R Hutchcroft, DE Payne, DJ Touramanis, C Bevan, AJ Clarke, CK George, KA Di Lodovico, F Sacco, R Sigamani, M Cowan, G Flaecher, HU Hopkins, DA Paramesvaran, S Salvatore, F Wren, AC Brown, DN Davis, CL Denig, AG Fritsch, M Gradl, W Schott, G Alwyn, KE Bailey, D Barlow, RJ Chia, YM Edgar, CL Jackson, G Lafferty, GD West, TJ Yi, JI Anderson, J Chen, C Jawahery, A Roberts, DA Simi, G Tuggle, JM Dallapiccola, C Li, X Salvati, E Saremi, S 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TI Evidence for X(3872)->psi(2S)gamma in B-+/--> X(3872)K-+/- Decays and a Study of B -> cc gamma K SO PHYSICAL REVIEW LETTERS LA English DT Article ID MESONS AB In a search for B -> cc gamma K decays with the BABAR detector, where cc> includes J/psi and psi(2S), and K includes K-+/-, K-S(0), and K-*(892), we find evidence for X(3872)-> J/psi gamma and X(3872)->psi(2S)gamma with 3.6 sigma and 3.5 sigma significance, respectively. We measure the product of branching fractions B(B-+/--> X(3872)K-+/-)xB(X(3872)-> J/psi gamma)=[2.8 +/- 0.8(stat)+/- 0.1(syst)]x10(-6) and B(B-+/--> X(3872)K-+/-)xB(X(3872)->psi(2S)gamma)=[9.5 +/- 2.7(stat)+/- 0.6(syst)]x10(-6). C1 [Aubert, B.; Bona, M.; Karyotakis, Y.; Lees, J. P.; Poireau, V.; Prencipe, E.; Prudent, X.; Tisserand, V.] CNRS, IN2P3, Phys Particules Lab, F-74941 Annecy Le Vieux, France. [Aubert, B.; Bona, M.; Karyotakis, Y.; Lees, J. P.; Poireau, V.; Prencipe, E.; Prudent, X.; Tisserand, V.] Univ Savoie, F-74941 Annecy Le Vieux, France. 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[Arnaud, N.; Bequilleux, J.; D'Orazio, A.; Davier, M.; da Costa, J. Firmino; Grosdidier, G.; Hoecker, A.; Lepeltier, V.; Le Diberder, F.; Lutz, A. M.; Pruvot, S.; Roudeau, P.; Schune, M. H.; Serrano, J.; Sordini, V.; Stocchi, A.; Wormser, G.] CNRS, IN2P3, Lab Accelerateur Lineaire, F-91898 Orsay, France. [Arnaud, N.; Bequilleux, J.; D'Orazio, A.; Davier, M.; da Costa, J. Firmino; Grosdidier, G.; Hoecker, A.; Lepeltier, V.; Le Diberder, F.; Lutz, A. M.; Pruvot, S.; Roudeau, P.; Schune, M. H.; Serrano, J.; Sordini, V.; Stocchi, A.; Wormser, G.] Univ Paris 11, Ctr Sci Orsay, F-91898 Orsay, France. [Lange, D. J.; Wright, D. M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Bingham, I.; Burke, J. P.; Chavez, C. A.; Fry, J. R.; Gabathuler, E.; Gamet, R.; Hutchcroft, D. E.; Payne, D. J.; Touramanis, C.] Univ Liverpool, Liverpool L69 7ZE, Merseyside, England. [Bevan, A. J.; Clarke, C. K.; George, K. A.; Di Lodovico, F.; Sacco, R.; Sigamani, M.] Univ London, London E1 4NS, England. [Cowan, G.; Flaecher, H. U.; Hopkins, D. A.; Paramesvaran, S.; Salvatore, F.; Wren, A. C.] Univ London Royal Holloway & Bedford New Coll, Egham TW20 0EX, Surrey, England. [Brown, D. N.; Davis, C. L.] Univ Louisville, Louisville, KY 40292 USA. [Denig, A. G.; Fritsch, M.; Gradl, W.; Schott, G.] Johannes Gutenberg Univ Mainz, Inst Kernphys, D-55099 Mainz, Germany. [Alwyn, K. E.; Bailey, D.; Barlow, R. J.; Chia, Y. M.; Edgar, C. L.; Jackson, G.; Lafferty, G. D.; West, T. J.; Yi, J. I.] Univ Manchester, Manchester M13 9PL, Lancs, England. [Anderson, J.; Chen, C.; Jawahery, A.; Roberts, D. A.; Simi, G.; Tuggle, J. M.] Univ Maryland, College Pk, MD 20742 USA. [Dallapiccola, C.; Li, X.; Salvati, E.; Saremi, S.] Univ Massachusetts, Amherst, MA 01003 USA. [Cowan, R.; Dujmic, D.; Fisher, P. H.; Sciolla, G.; Spitznagel, M.; Taylor, F.; Yamamoto, R. K.; Zhao, M.] MIT, Nucl Sci Lab, Cambridge, MA 02139 USA. [Patel, P. M.; Robertson, S. H.] McGill Univ, Montreal, PQ H3A 2T8, Canada. [Lazzaro, A.; Lombardo, V.; Palombo, F.] Ist Nazl Fis Nucl, Sez Milano, I-20133 Milan, Italy. [Lazzaro, A.; Palombo, F.] Univ Milan, Dipartimento Fis, I-20133 Milan, Italy. [Bauer, J. M.; Cremaldi, L.; Godang, R.; Kroeger, R.; Sanders, D. A.; Summers, D. J.; Zhao, H. W.] Univ Mississippi, University, MS 38677 USA. [Simard, M.; Taras, P.; Viaud, F. B.] Univ Montreal, Montreal, PQ H3C 3J7, Canada. [Nicholson, H.] Mt Holyoke Coll, S Hadley, MA 01075 USA. [De Nardo, G.; Lista, L.; Monorchio, D.; Onorato, G.; Sciacca, C.] Ist Nazl Fis Nucl, Sez Napoli, I-80126 Naples, Italy. [De Nardo, G.; Monorchio, D.; Onorato, G.; Sciacca, C.] Univ Naples Federico II, Dipartimento Sci Fisiche, I-80126 Naples, Italy. [Raven, G.; Snoek, H. L.] Natl Inst Nucl & High Energy Phys, NIKHEF, NL-1009 DB Amsterdam, Netherlands. [Jessop, C. P.; Knoepfel, K. J.; Lo Secco, J. M.; Wang, W. F.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Benelli, G.; Corwin, L. A.; Honscheid, K.; Kass, R.; Morris, J. P.; Rahimi, A. M.; Regensburger, J. J.; Sekula, S. J.; Wong, Q. K.] Ohio State Univ, Columbus, OH 43210 USA. [Kagan, H.; Blount, N. L.; Brau, J.; Frey, R.; Igonkina, O.; Kolb, J. A.; Lu, M.; Rahmat, R.; Sinev, N. B.; Strom, D.; Strube, J.; Torrence, E.] Univ Oregon, Eugene, OR 97403 USA. [Castelli, G.; Gagliardi, N.; Margoni, M.; Morandin, M.; Posocco, M.; Rotondo, M.; Simonetto, F.; Stroili, R.; Voci, C.] Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy. [Castelli, G.; Gagliardi, N.; Margoni, M.; Simonetto, F.; Stroili, R.; Voci, C.] Univ Padua, Dipartimento Fis, I-35131 Padua, Italy. [Sanchez, P. del Amo; Ben-Haim, E.; Briand, H.; Calderini, G.; Chauveau, J.; David, P.; Del Buono, L.; Hamon, O.; Leruste, Ph.; Ocariz, J.; Perez, A.; Prendki, J.; Sitt, S.] Univ Paris 06, CNRS, IN2P3, Lab Phys Nucl & Hautes Energies, F-75252 Paris, France. [Sanchez, P. del Amo; Ben-Haim, E.; Briand, H.; Calderini, G.; Chauveau, J.; David, P.; Del Buono, L.; Hamon, O.; Leruste, Ph.; Ocariz, J.; Perez, A.; Prendki, J.; Sitt, S.] Univ Denis Diderot Paris 7, F-75252 Paris, France. [Gladney, L.] Univ Penn, Philadelphia, PA 19104 USA. [Biasini, M.; Covarelli, R.; Manoni, E.] Ist Nazl Fis Nucl, Sez Perugia, I-06100 Perugia, Italy. [Peruzzi, I. M.; Biasini, M.; Covarelli, R.; Manoni, E.] Univ Perugia, Dipartimento Fis, I-06100 Perugia, Italy. [Angelini, C.; Batignani, G.; Bettarini, S.; Carpinelli, M.; Cervelli, A.; Forti, F.; Giorgi, M. A.; Lusiani, A.; Marchiori, G.; Morganti, M.; Neri, N.; Paoloni, E.; Rizzo, G.; Walsh, J. J.] Ist Nazl Fis Nucl, Sez Pisa, I-56127 Pisa, Italy. [Angelini, C.; Batignani, G.; Bettarini, S.; Carpinelli, M.; Cervelli, A.; Forti, F.; Giorgi, M. A.; Marchiori, G.; Morganti, M.; Neri, N.; Paoloni, E.; Rizzo, G.; Walsh, J. J.] Univ Pisa, Dipartimento Fis, I-56127 Pisa, Italy. [Lusiani, A.] Sucola Normale Super Pisa, I-56127 Pisa, Italy. [Pegna, D. Lopes; Lu, C.; Olsen, J.; Smith, A. J. S.; Telnov, A. V.] Princeton Univ, Princeton, NJ 08544 USA. [Anulli, F.; Baracchini, E.; Cavoto, G.; del Re, D.; Di Marco, E.; Faccini, R.; Ferrarotto, F.; Ferroni, F.; Gaspero, M.; Jackson, P. D.; Gioi, L. Li; Mazzoni, M. A.; Morganti, S.; Piredda, G.; Polci, F.; Renga, F.; Voena, C.] Ist Nazl Fis Nucl, Sez Roma, I-00185 Rome, Italy. [Baracchini, E.; del Re, D.; Di Marco, E.; Faccini, R.; Ferroni, F.; Gaspero, M.; Polci, F.; Renga, F.] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. [Ebert, M.; Hartmann, T.; Schroeder, H.; Waldi, R.] Univ Rostock, D-18051 Rostock, Germany. [Adye, T.; Franek, B.; Olaiya, E. O.; Wilson, F. F.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Emery, S.; Escalier, M.; Esteve, L.; Ganzhur, S. F.; de Monchenault, G. Hamel; Kozanecki, W.; Vasseur, G.; Yeche, Ch.; Zito, M.] Ctr Saclay, SPP, CEA, F-91191 Gif Sur Yvette, France. [Chen, X. R.; Liu, H.; Park, W.; Purohit, M. V.; White, R. M.; Wilson, J. R.] Univ S Carolina, Columbia, SC 29208 USA. [Allen, M. T.; Aston, D.; Bartoldus, R.; Bechtle, P.; Benitez, J. F.; Cenci, R.; Coleman, J. P.; Convery, M. R.; Dingfelder, J. C.; Dorfan, J.; Dubois-Felsmann, G. P.; Dunwoodie, W.; Field, R. C.; Gabareen, A. M.; Gowdy, S. J.; Graham, M. T.; Grenier, P.; Hast, C.; Innes, W. R.; Kaminski, J.; Kelsey, M. H.; Kim, H.; Kim, P.; Kocian, M. L.; Leith, D. W. G. S.; Li, S.; Lindquist, B.; Luitz, S.; Luth, V.; Lynch, H. L.; MacFarlane, D. B.; Marsiske, H.; Messner, R.; Muller, D. R.; Neal, H.; Nelson, S.; O'Grady, C. P.; Ofte, I.; Perazzo, A.; Perl, M.; Ratcliff, B. N.; Roodman, A.; Salnikov, A. A.; Schindler, R. H.; Schwiening, J.; Snyder, A.; Su, D.; Sullivan, M. K.; Suzuki, K.; Swain, S. K.; Thompson, J. M.; Va'vra, J.; Wagner, A. P.; Weaver, M.; West, C. A.; Wisniewski, W. J.; Wittgen, M.; Wright, D. H.; Wulsin, H. W.; Yarritu, A. K.; Yi, K.; Young, C. C.; Ziegler, V.] Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. [Burchat, P. R.; Edwards, A. J.; Majewski, S. A.; Miyashita, T. S.; Petersen, B. A.; Wilden, L.] Stanford Univ, Stanford, CA 94305 USA. [Ahmed, S.; Alam, M. S.; Ernst, J. A.; Pan, B.; Saeed, M. A.; Zain, S. B.] SUNY Albany, Albany, NY 12222 USA. [Spanier, S. M.; Wogsland, B. J.] Univ Tennessee, Knoxville, TN 37996 USA. [Eckmann, R.; Ritchie, J. L.; Ruland, A. M.; Schilling, C. J.; Schwitters, R. F.] Univ Texas Austin, Austin, TX 78712 USA. [Drummond, B. W.; Izen, J. M.; Lou, X. C.] Univ Texas Dallas, Richardson, TX 75083 USA. [Bianchi, F.; Gamba, D.; Peliccioni, M.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Bianchi, F.; Gamba, D.; Peliccioni, M.] Univ Turin, Dipartimento Fis Sperimentale, I-10125 Turin, Italy. [Bomben, M.; Bosisio, L.; Cartaro, C.; Della Ricca, G.; Lanceri, L.; Vitale, L.] Ist Nazl Fis Nucl, Sez Trieste, I-34127 Trieste, Italy. [Bomben, M.; Bosisio, L.; Cartaro, C.; Della Ricca, G.; Lanceri, L.; Vitale, L.] Univ Trieste, Dipartmento Fis, I-34127 Trieste, Italy. [Azzolini, V.; Lopez-March, N.; Martinez-Vidal, F.; Milanes, D. A.; Oyanguren, A.] Univ Valencia, IFIC, CSIC, E-46071 Valencia, Spain. [Albert, J.; Banerjee, Sw.; Bhuyan, B.; Choi, H. H. F.; Hamano, K.; Kowalewski, R.; Lewczuk, M. J.; Nugent, I. M.; Roney, J. M.; Sobie, R. J.] Univ Victoria, Victoria, BC V8W 3P6, Canada. [Gershon, T. J.; Harrison, P. F.; Ilic, J.; Latham, T. E.; Mohanty, G. B.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. [Band, H. R.; Chen, X.; Dasu, S.; Flood, K. T.; Pan, Y.; Pierini, M.; Prepost, R.; Vuosalo, C. O.; Wu, S. L.] Univ Wisconsin, Madison, WI 53706 USA. Univ Sassari, I-07100 Sassari, Italy. RP Aubert, B (reprint author), CNRS, IN2P3, Phys Particules Lab, F-74941 Annecy Le Vieux, France. RI Calabrese, Roberto/G-4405-2015; Martinez Vidal, F*/L-7563-2014; Kolomensky, Yury/I-3510-2015; Lo Vetere, Maurizio/J-5049-2012; Lusiani, Alberto/N-2976-2015; Morandin, Mauro/A-3308-2016; Lusiani, Alberto/A-3329-2016; Di Lodovico, Francesca/L-9109-2016; Pappagallo, Marco/R-3305-2016; Calcaterra, Alessandro/P-5260-2015; Frey, Raymond/E-2830-2016; Forti, Francesco/H-3035-2011; Negrini, Matteo/C-8906-2014; Monge, Maria Roberta/G-9127-2012; Oyanguren, Arantza/K-6454-2014; Luppi, Eleonora/A-4902-2015; White, Ryan/E-2979-2015; Patrignani, Claudia/C-5223-2009; Saeed, Mohammad Alam/J-7455-2012; de Sangro, Riccardo/J-2901-2012; Rotondo, Marcello/I-6043-2012; Neri, Nicola/G-3991-2012; Della Ricca, Giuseppe/B-6826-2013 OI Raven, Gerhard/0000-0002-2897-5323; Calabrese, Roberto/0000-0002-1354-5400; Martinez Vidal, F*/0000-0001-6841-6035; Kolomensky, Yury/0000-0001-8496-9975; Lo Vetere, Maurizio/0000-0002-6520-4480; Lusiani, Alberto/0000-0002-6876-3288; Morandin, Mauro/0000-0003-4708-4240; Lusiani, Alberto/0000-0002-6876-3288; Di Lodovico, Francesca/0000-0003-3952-2175; Pappagallo, Marco/0000-0001-7601-5602; Calcaterra, Alessandro/0000-0003-2670-4826; Frey, Raymond/0000-0003-0341-2636; Forti, Francesco/0000-0001-6535-7965; Negrini, Matteo/0000-0003-0101-6963; Monge, Maria Roberta/0000-0003-1633-3195; Oyanguren, Arantza/0000-0002-8240-7300; Luppi, Eleonora/0000-0002-1072-5633; White, Ryan/0000-0003-3589-5900; Patrignani, Claudia/0000-0002-5882-1747; Saeed, Mohammad Alam/0000-0002-3529-9255; de Sangro, Riccardo/0000-0002-3808-5455; Rotondo, Marcello/0000-0001-5704-6163; Neri, Nicola/0000-0002-6106-3756; Della Ricca, Giuseppe/0000-0003-2831-6982 FU DOE; NSF (USA); NSERC (Canada); CEA and CNRS-IN2P3 (France); BMBF and DFG (Germany); INFN (Italy); FOM (The Netherlands); NFR (Norway); MES (Russia); MEC (Spain); STFC (United Kingdom); Marie Curie EIF (European Union); A. P. Sloan Foundation FX This work is supported by DOE and NSF (USA), NSERC (Canada), CEA and CNRS-IN2P3 (France), BMBF and DFG (Germany), INFN (Italy), FOM (The Netherlands), NFR (Norway), MES (Russia), MEC (Spain), and STFC (United Kingdom). Individuals have received support from the Marie Curie EIF (European Union) and the A. P. Sloan Foundation. NR 22 TC 128 Z9 128 U1 0 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 3 PY 2009 VL 102 IS 13 AR 132001 DI 10.1103/PhysRevLett.102.132001 PG 7 WC Physics, Multidisciplinary SC Physics GA 428YS UT WOS:000264888600013 ER PT J AU Moca, CP Sheu, BL Samarth, N Schiffer, P Janko, B Zarand, G AF Moca, C. P. Sheu, B. L. Samarth, N. Schiffer, P. Janko, B. Zarand, G. TI Scaling Theory of Magnetoresistance and Carrier Localization in Ga1-xMnxAs SO PHYSICAL REVIEW LETTERS LA English DT Article ID FERROMAGNETS; SEMICONDUCTORS; CONDUCTIVITY; RESISTIVITY; (GA,MN)AS; DENSITY; DRIVEN AB We compare experimental resistivity data on Ga1-xMnxAs films with theoretical calculations using a scaling theory for strongly disordered ferromagnets. The characteristic features of the temperature dependent resistivity can be quantitatively understood through this approach as originating from the close vicinity of the metal-insulator transition. However, accounting for thermal fluctuations is crucial for a quantitative description of the magnetic field induced changes in resistance. While the noninteracting scaling theory is in reasonable agreement with the data, we find clear evidence for interaction effects at low temperatures. C1 [Moca, C. P.; Zarand, G.] Budapest Univ Technol & Econ, H-1521 Budapest, Hungary. [Moca, C. P.] Univ Oradea, Dept Phys, Oradea 410087, Romania. [Sheu, B. L.; Samarth, N.; Schiffer, P.] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. [Sheu, B. L.; Samarth, N.; Schiffer, P.] Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA. [Janko, B.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Janko, B.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Moca, CP (reprint author), Budapest Univ Technol & Econ, H-1521 Budapest, Hungary. RI Zarand, Gergely/D-4571-2009; Schiffer, Peter/F-3227-2011; Samarth, Nitin/C-4475-2014; Moca, Catalin Pascu/D-9507-2014; OI Samarth, Nitin/0000-0003-2599-346X; Schiffer, Peter/0000-0002-6430-6549 FU NSF; NNIN; NSF-NIRT [ECS-0609249]; U. S. Department of Energy [W-31-109-ENG-38]; [NF061726]; [K73361]; [CNCSIS ID 672/2009]; [CNCSIS 2007/1/780] FX We thank A. M. Finkelstein, J. K. Furdyna, X. Liu, A. H. MacDonald, J. Sinova, and T. Jungwirth for helpful discussions. This research has been supported by Hungarian grants OTKA No. NF061726, No. K73361, Romanian Grant No. CNCSIS ID 672/2009 and No. CNCSIS 2007/1/780. B. L. S, P. S, and N. S. were supported by the NSF and the NNIN. B. J. was supported by NSF-NIRT Grant No. ECS-0609249, as well as the U. S. Department of Energy, under Contract No. W-31-109-ENG-38. NR 30 TC 14 Z9 14 U1 2 U2 13 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 3 PY 2009 VL 102 IS 13 AR 137203 DI 10.1103/PhysRevLett.102.137203 PG 4 WC Physics, Multidisciplinary SC Physics GA 428YS UT WOS:000264888600065 PM 19392399 ER PT J AU Mocella, V Cabrini, S Chang, ASP Dardano, P Moretti, L Rendina, I Olynick, D Harteneck, B Dhuey, S AF Mocella, V. Cabrini, S. Chang, A. S. P. Dardano, P. Moretti, L. Rendina, I. Olynick, D. Harteneck, B. Dhuey, S. TI Self-Collimation of Light over Millimeter-Scale Distance in a Quasi-Zero-Average-Index Metamaterial SO PHYSICAL REVIEW LETTERS LA English DT Article ID 2-DIMENSIONAL PHOTONIC-CRYSTAL; NEGATIVE REFRACTION; SUPERLENS; FIELD; LENS AB Inspired by the concept of complementary media, we experimentally demonstrate that an engineered metamaterial made of alternating, stripe layers of negatively refracting (photonic crystals) and positively refracting (air) materials strongly collimates a beam of near-infrared light. This quasi-zero-average-index metamaterial fully preserves the beam spot size throughout the sample for a light beam traveling through the metamaterial a distance of 2 mm-more than 1000 times the input wavelength lambda=1.55 mu m. These results demonstrate the first explicit experimental verification of optical antimatter as proposed by Pendry and Ramakrishna [J. Pendry and S. Ramakrishna, J. Phys. Condens. Matter 15, 6345 (2003)], using two complementary media in which each n(eff)=-1 layer appears to annihilate an equal thickness layer of air. C1 [Mocella, V.; Dardano, P.; Moretti, L.; Rendina, I.] Univ Naples Federico 2, CNR IMM, I-80131 Naples, Italy. [Cabrini, S.; Chang, A. S. P.; Olynick, D.; Harteneck, B.; Dhuey, S.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Mocella, V (reprint author), Univ Naples Federico 2, CNR IMM, Via P Castellino 111, I-80131 Naples, Italy. RI Moretti, Luigi/C-7555-2009; rendina, ivo/F-8266-2013 OI Mocella, Vito/0000-0001-8793-0486; rendina, ivo/0000-0002-3861-373X FU Office of Science; Office of Basic Energy Sciences; U. S. Department of Energy [DE-AC0205CH11231] FX Portions of this work were performed at the Molecular Foundry, Lawrence Berkeley National Laboratory, which is supported by the Office of Science, Office of Basic Energy Sciences, of the U. S. Department of Energy under Contract No. DE-AC0205CH11231. NR 24 TC 67 Z9 71 U1 0 U2 14 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 3 PY 2009 VL 102 IS 13 AR 133902 DI 10.1103/PhysRevLett.102.133902 PG 4 WC Physics, Multidisciplinary SC Physics GA 428YS UT WOS:000264888600020 PM 19392354 ER PT J AU Nie, S Bartelt, NC Thurmer, K AF Nie, S. Bartelt, N. C. Thuermer, K. TI Observation of Surface Self-Diffusion on Ice SO PHYSICAL REVIEW LETTERS LA English DT Article ID ISLANDS AB To determine the role of surface diffusion on the morphology of ice surfaces we track the evolution with STM of 2D ice-island arrays on the basal surface of ice films on Pt(111) between 115 and 135 K. In contrast with previous measurements at higher temperatures, we find that the evolution is dominated by surface diffusion. The extracted surface self-diffusion coefficient has an activation energy of 0.4 +/- 0.1 eV, much less than the value previously measured for bulk diffusion. C1 [Nie, S.; Bartelt, N. C.; Thuermer, K.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Nie, S (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. RI Bartelt, Norman/G-2927-2012; Thurmer, Konrad/L-4699-2013 OI Thurmer, Konrad/0000-0002-3078-7372 FU Office of Basic Energy Sciences, Division of Materials Sciences, U.S. DOE [DEAC04-94AL85000] FX We thank Peter Feibelman for stimulating discussions. This research was supported by the Office of Basic Energy Sciences, Division of Materials Sciences, U.S. DOE under Contract No. DEAC04-94AL85000. NR 18 TC 12 Z9 12 U1 1 U2 13 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 3 PY 2009 VL 102 IS 13 AR 136101 DI 10.1103/PhysRevLett.102.136101 PG 4 WC Physics, Multidisciplinary SC Physics GA 428YS UT WOS:000264888600037 PM 19392371 ER PT J AU Odier, P Chen, J Rivera, MK Ecke, RE AF Odier, P. Chen, J. Rivera, M. K. Ecke, R. E. TI Fluid Mixing in Stratified Gravity Currents: The Prandtl Mixing Length SO PHYSICAL REVIEW LETTERS LA English DT Article ID NORTH-ATLANTIC; NORDIC SEAS; TURBULENCE; FLOWS; SHEAR; ENTRAINMENT; OUTFLOW; MODELS; OCEAN AB Shear-induced vertical mixing in a stratified flow is a key ingredient of thermohaline circulation. We experimentally determine the vertical flux of momentum and density of a forced gravity current using high-resolution velocity and density measurements. A constant eddy-viscosity model provides a poor description of the physics of mixing, but a Prandtl mixing length model relating momentum and density fluxes to mean velocity and density gradients works well. For the average gradient Richardson number Ri(g)approximate to 0.08 and a Taylor Reynolds number Re(lambda)approximate to 100, the mixing lengths are fairly constant, about the same magnitude, comparable to the turbulent shear length. C1 [Odier, P.; Chen, J.; Rivera, M. K.; Ecke, R. E.] Los Alamos Natl Lab, Condensed Matter & Thermal Phys Grp, Los Alamos, NM 87545 USA. [Odier, P.; Chen, J.; Rivera, M. K.; Ecke, R. E.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Odier, P.] Ecole Normale Super Lyon, Phys Lab, F-69364 Lyon, France. RP Odier, P (reprint author), Los Alamos Natl Lab, Condensed Matter & Thermal Phys Grp, POB 1663, Los Alamos, NM 87545 USA. OI Ecke, Robert/0000-0001-7772-5876 FU U.S. Department of Energy [DE-AC52-06NA25396] FX We acknowledge useful discussions with P. Marcus, B. Wingate, M. Hecht, M. Lance, J.-F. Pinton, and C. Doering. Work performed at Los Alamos National Laboratory was funded by the U.S. Department of Energy under Contract No. DE-AC52-06NA25396. NR 23 TC 19 Z9 19 U1 2 U2 14 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 3 PY 2009 VL 102 IS 13 AR 134504 DI 10.1103/PhysRevLett.102.134504 PG 4 WC Physics, Multidisciplinary SC Physics GA 428YS UT WOS:000264888600026 PM 19392360 ER PT J AU Sherman, W AF Sherman, William TI Building a Better Nano-Biped SO SCIENCE LA English DT Editorial Material ID DNA; TRANSPORT; WALKING; DEVICE C1 Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Sherman, W (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM wsherman@bnl.gov RI Sherman, William/B-4700-2008 NR 14 TC 2 Z9 2 U1 0 U2 9 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 3 PY 2009 VL 324 IS 5923 BP 46 EP 47 DI 10.1126/science.1172136 PG 2 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 427TN UT WOS:000264802100024 PM 19342576 ER PT J AU Gasteiger, HA Markovic, NM AF Gasteiger, Hubert A. Markovic, Nenad M. TI Just a Dream-or Future Reality? SO SCIENCE LA English DT Editorial Material ID OXYGEN REDUCTION; FUEL-CELLS; CATALYSTS; ELECTROCATALYSTS; STABILITY C1 [Gasteiger, Hubert A.] MIT, Dept Mech Engn, Electrochem Energy Lab, Cambridge, MA 02139 USA. [Markovic, Nenad M.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Gasteiger, HA (reprint author), MIT, Dept Mech Engn, Electrochem Energy Lab, Cambridge, MA 02139 USA. EM hubert.gasteiger@gmail.com; markovic@anl.gov RI Thandavarayan, Maiyalagan/C-5716-2011 OI Thandavarayan, Maiyalagan/0000-0003-3528-3824 NR 18 TC 623 Z9 628 U1 33 U2 314 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 3 PY 2009 VL 324 IS 5923 BP 48 EP 49 DI 10.1126/science.1172083 PG 2 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 427TN UT WOS:000264802100026 PM 19342578 ER PT J AU Jung, HW Tschaplinski, TJ Wang, L Glazebrook, J Greenberg, JT AF Jung, Ho Won Tschaplinski, Timothy J. Wang, Lin Glazebrook, Jane Greenberg, Jean T. TI Priming in Systemic Plant Immunity SO SCIENCE LA English DT Article ID ACQUIRED-RESISTANCE; ARABIDOPSIS-THALIANA; SALICYLIC-ACID; SIGNAL; ACCUMULATION; PATHOGEN; TOBACCO AB Plants possess inducible systemic defense responses when locally infected by pathogens. Bacterial infection results in the increased accumulation of the mobile metabolite azelaic acid, a nine-carbon dicarboxylic acid, in the vascular sap of Arabidopsis that confers local and systemic resistance against the pathogen Pseudomonas syringae. Azelaic acid primes plants to accumulate salicylic acid (SA), a known defense signal, upon infection. Mutation of the AZELAIC ACID INDUCED 1 (AZI1) gene, which is induced by azelaic acid, results in the specific loss of systemic immunity triggered by pathogen or azelaic acid and of the priming of SA induction in plants. Furthermore, the predicted secreted protein AZI1 is also important for generating vascular sap that confers disease resistance. Thus, azelaic acid and AZI1 are components of plant systemic immunity involved in priming defenses. C1 [Jung, Ho Won; Greenberg, Jean T.] Univ Chicago, Dept Mol Genet & Cell Biol, Chicago, IL 60637 USA. [Tschaplinski, Timothy J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Wang, Lin; Glazebrook, Jane] Univ Minnesota, Dept Plant Biol, Microbial & Plant Genom Inst, St Paul, MN 55108 USA. RP Greenberg, JT (reprint author), Univ Chicago, Dept Mol Genet & Cell Biol, 1103 E 57th St EBC410, Chicago, IL 60637 USA. EM jgreenbe@midway.uchicago.edu RI Wang, Lin/D-4021-2009; OI Glazebrook, Jane/0000-0001-5167-736X; Tschaplinski, Timothy/0000-0002-9540-6622 FU NSF [IOB-0450207, IOB-0419648]; Korea Research Foundation fellowship; Office of Biological and Environmental Research of the U.S. Department of Energy; U.S. Department of Energy [DE-AC05-00OR22725] FX This work was funded by NSF grants to J.T.G. (IOB-0450207) and J.G. (IOB-0419648) and by a fellowship from Korea Research Foundation to H.W.J., and T.J.T. was supported by the Office of Biological and Environmental Research of the U.S. Department of Energy. Oak Ridge National Laboratory is managed by UT-Battelle for the U.S. Department of Energy under contract DE-AC05-00OR22725. We thank J. Bergelson and L. Mets for the use of their high-performance liquid chromatographys, F. Katagiri and J. Malamy for useful discussions, R. Cameron for sharing her detailed exudate collection protocol, and N. Engle for analysis of exudates. A patent application related to this work has been filed by the University of Chicago and UT-Battelle on behalf of inventors J.T.G., H.W.J., and T.J.T. on the use of azelaic acid to confer protection in crop plants against infection. NR 13 TC 291 Z9 308 U1 12 U2 112 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 3 PY 2009 VL 324 IS 5923 BP 89 EP 91 DI 10.1126/science.1170025 PG 3 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 427TN UT WOS:000264802100038 PM 19342588 ER PT J AU Bergmann, O Bhardwaj, RD Bernard, S Zdunek, S Barnabe-Heider, F Walsh, S Zupicich, J Alkass, K Buchholz, BA Druid, H Jovinge, S Frisen, J AF Bergmann, Olaf Bhardwaj, Ratan D. Bernard, Samuel Zdunek, Sofia Barnabe-Heider, Fanie Walsh, Stuart Zupicich, Joel Alkass, Kanar Buchholz, Bruce A. Druid, Henrik Jovinge, Stefan Frisen, Jonas TI Evidence for Cardiomyocyte Renewal in Humans SO SCIENCE LA English DT Article ID CARDIAC MYOCYTES; NUCLEAR TESTS; HUMAN HEARTS; CELLS; HYPERTROPHY; PROGENITORS; ORIGINS; C-14 AB It has been difficult to establish whether we are limited to the heart muscle cells we are born with or if cardiomyocytes are generated also later in life. We have taken advantage of the integration of carbon-14, generated by nuclear bomb tests during the Cold War, into DNA to establish the age of cardiomyocytes in humans. We report that cardiomyocytes renew, with a gradual decrease from 1% turning over annually at the age of 25 to 0.45% at the age of 75. Fewer than 50% of cardiomyocytes are exchanged during a normal life span. The capacity to generate cardiomyocytes in the adult human heart suggests that it may be rational to work toward the development of therapeutic strategies aimed at stimulating this process in cardiac pathologies. C1 [Bergmann, Olaf; Bhardwaj, Ratan D.; Zdunek, Sofia; Barnabe-Heider, Fanie; Zupicich, Joel; Frisen, Jonas] Karolinska Inst, Dept Cell & Mol Biol, SE-17177 Stockholm, Sweden. [Bernard, Samuel] Univ Lyon 1, Inst Camille Jordan, CNRS, UMR5208, F-69622 Villeurbanne, France. [Walsh, Stuart; Jovinge, Stefan] Lund Univ, Lund Strateg Res Ctr Stem Cell Biol & Cell Therap, SE-22184 Lund, Sweden. [Alkass, Kanar; Druid, Henrik] Karolinska Inst, Dept Forens Med, SE-17177 Stockholm, Sweden. [Buchholz, Bruce A.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94551 USA. [Jovinge, Stefan] Univ Lund Hosp, Dept Cardiol, SE-22185 Lund, Sweden. RP Frisen, J (reprint author), Karolinska Inst, Dept Cell & Mol Biol, SE-17177 Stockholm, Sweden. EM jonas.frisen@ki.se RI Bernard, Samuel/A-5623-2009; Bergmann, Olaf/A-5706-2009; Buchholz, Bruce/G-1356-2011; OI Bernard, Samuel/0000-0002-8442-9968; Bergmann, Olaf/0000-0003-1065-4107; Druid, Henrik/0000-0002-9198-023X FU Swedish Heart-Lung Foundation; Swedish Research Council; Knut och Alice Wallenbergs Stiftelse; Human Frontiers Science Program; Swedish Cancer Society; Foundation for Strategic Research; Karolinska Institutet; Juvenile Diabetes Research Foundation; NIH/NCRR [RR13461]; European Commission; Tobias Foundation; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Canadian Institutes of Health Research fellowships; Christopher and Dana Reeve Foundation fellowship FX We thank R. Lee, K. Spalding, and members of the Frisen lab for valuable discussions; M. Toro and K. Hamrin for help with flow cytometry; P. Reimer for assistance with radiocarbon interpretation; R. Cassidy, M. Muller, and E. Klaile for technical advice; M. Stahlberg and T. Bergman for help with high-performance liquid chromatography; and D. Kurdyla and P. Zermeno for producing graphite. This study was supported by grants from the Swedish Heart-Lung Foundation, the Swedish Research Council, Knut och Alice Wallenbergs Stiftelse, Human Frontiers Science Program, the Swedish Cancer Society, the Foundation for Strategic Research, the Karolinska Institutet, the Juvenile Diabetes Research Foundation, NIH/NCRR (RR13461), European Commission FP7 CardioCell, and the Tobias Foundation. This work was performed in part under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. R.D.B. and F.B.-H. were supported by fellowships from the Canadian Institutes of Health Research, and F.B.-H. was also supported by a fellowship from the Christopher and Dana Reeve Foundation. NR 28 TC 1086 Z9 1135 U1 14 U2 132 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 3 PY 2009 VL 324 IS 5923 BP 98 EP 102 DI 10.1126/science.1164680 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 427TN UT WOS:000264802100041 PM 19342590 ER PT J AU Yamamoto, ML Clark, TA Gee, SL Kang, JA Schweitzer, AC Wickrema, A Conboy, JG AF Yamamoto, Miki L. Clark, Tyson A. Gee, Sherry L. Kang, Jeong-Ah Schweitzer, Anthony C. Wickrema, Amittha Conboy, John G. TI Alternative pre-mRNA splicing switches modulate gene expression in late erythropoiesis SO BLOOD LA English DT Article ID ERYTHROID PROGENITOR CELLS; ACTIN-BINDING DOMAIN; REGULATORY ELEMENTS; TERNARY COMPLEX; HUMAN GENOME; DIFFERENTIATION; EXON; ISOFORMS; SPECTRIN; TRANSCRIPTION AB Differentiating erythroid cells execute a unique gene expression program that insures synthesis of the appropriate proteome at each stage of maturation. Standard expression microarrays provide important insight into erythroid gene expression but cannot detect qualitative changes in transcript structure, mediated by RNA processing, that alter structure and function of encoded proteins. We analyzed stage-specific changes in the late erythroid transcriptome via use of high-resolution microarrays that detect altered expression of individual exons. Ten differentiation-associated changes in erythroblast splicing patterns were identified, including the previously known activation of protein 4.1R exon 16 splicing. Six new alternative splicing switches involving enhanced inclusion of internal cassette exons were discovered, as well as 3 changes in use of alternative first exons. All of these erythroid stage-specific splicing events represent activated inclusion of authentic annotated exons, suggesting they represent an active regulatory process rather than a general loss of splicing fidelity. The observation that 3 of the regulated transcripts encode RNA binding proteins (SNRP70, HNRPLL, MBNL2) may indicate significant changes in the RNA processing machinery of late erythroblasts. Together, these results support the existence of a regulated alternative pre-mRNA splicing program that is critical for late erythroid differentiation. (Blood. 2009;113:3363-3370) C1 [Yamamoto, Miki L.; Gee, Sherry L.; Conboy, John G.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. [Kang, Jeong-Ah; Wickrema, Amittha] Univ Chicago, Dept Med, Chicago, IL 60637 USA. [Clark, Tyson A.; Schweitzer, Anthony C.] Affymetrix, Santa Clara, CA USA. RP Conboy, JG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Bldg 84-171,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM jgconboy@lbl.gov FU National Institutes of Health [DK75021, HL45182]; Office of Biological and Environmental Research; US Department of Energy [DE-AC03-76SF00098] FX This work was supported by the National Institutes of Health (grants DK75021 and HL45182) and by the Director, Office of Biological and Environmental Research, US Department of Energy (contract DE-AC03-76SF00098). NR 46 TC 36 Z9 37 U1 0 U2 2 PU AMER SOC HEMATOLOGY PI WASHINGTON PA 1900 M STREET. NW SUITE 200, WASHINGTON, DC 20036 USA SN 0006-4971 J9 BLOOD JI Blood PD APR 2 PY 2009 VL 113 IS 14 BP 3363 EP 3370 DI 10.1182/blood-2008-05-160325 PG 8 WC Hematology SC Hematology GA 428LH UT WOS:000264848900031 PM 19196664 ER PT J AU Anderson, IJ Dharmarajan, L Rodriguez, J Hooper, S Porat, I Ulrich, LE Elkins, JG Mavromatis, K Sun, H Land, M Lapidus, A Lucas, S Barry, K Huber, H Zhulin, IB Whitman, WB Mukhopadhyay, B Woese, C Bristow, J Kyrpides, N AF Anderson, Iain J. Dharmarajan, Lakshmi Rodriguez, Jason Hooper, Sean Porat, Iris Ulrich, Luke E. Elkins, James G. Mavromatis, Kostas Sun, Hui Land, Miriam Lapidus, Alla Lucas, Susan Barry, Kerrie Huber, Harald Zhulin, Igor B. Whitman, William B. Mukhopadhyay, Biswarup Woese, Carl Bristow, James Kyrpides, Nikos TI The complete genome sequence of Staphylothermus marinus reveals differences in sulfur metabolism among heterotrophic Crenarchaeota SO BMC GENOMICS LA English DT Article ID ARCHAEON PYROCOCCUS-FURIOSUS; MEMBRANE-BOUND HYDROGENASE; ELEMENTAL SULFUR; HYPERTHERMUS-BUTYLICUS; TOOL; REDUCTION; IDENTIFICATION; ARCHAEBACTERIUM; SPECIFICITY; REPRESENTS AB Background: Staphylothermus marinus is an anaerobic, sulfur-reducing peptide fermenter of the archaeal phylum Crenarchaeota. It is the third heterotrophic, obligate sulfur reducing crenarchaeote to be sequenced and provides an opportunity for comparative analysis of the three genomes. Results: The 1.57 Mbp genome of the hyperthermophilic crenarchaeote Staphylothermus marinus has been completely sequenced. The main energy generating pathways likely involve 2-oxoacid: ferredoxin oxidoreductases and ADP-forming acetyl-CoA synthases. S. marinus possesses several enzymes not present in other crenarchaeotes including a sodium ion-translocating decarboxylase likely to be involved in amino acid degradation. S. marinus lacks sulfur-reducing enzymes present in the other two sulfur-reducing crenarchaeotes that have been - sequenced Thermofilum pendens and Hyperthermus butylicus. Instead it has three operons similar to the mbh and mbx operons of Pyrococcus furiosus, which may play a role in sulfur reduction and/or hydrogen production. The two marine organisms, S. marinus and H. butylicus, possess more sodium-dependent transporters than T. pendens and use symporters for potassium uptake while T. pendens uses an ATP-dependent potassium transporter. T. pendens has adapted to a nutrient-rich environment while H. butylicus is adapted to a nutrient-poor environment, and S. marinus lies between these two extremes. Conclusion: The three heterotrophic sulfur-reducing crenarchaeotes have adapted to their habitats, terrestrial vs. marine, via their transporter content, and they have also adapted to environments with differing levels of nutrients. Despite the fact that they all use sulfur as an electron acceptor, they are likely to have different pathways for sulfur reduction. C1 [Anderson, Iain J.; Hooper, Sean; Mavromatis, Kostas; Kyrpides, Nikos] Joint Genome Inst, Genome Biol Program, Walnut Creek, CA USA. [Dharmarajan, Lakshmi; Rodriguez, Jason; Mukhopadhyay, Biswarup] Virginia Polytech Inst & State Univ, Virginia Bioinformat Inst, Blacksburg, VA 24061 USA. [Rodriguez, Jason; Mukhopadhyay, Biswarup] Virginia Polytech Inst & State Univ, Dept Biochem, Blacksburg, VA 24061 USA. [Porat, Iris; Whitman, William B.] Univ Georgia, Dept Microbiol, Athens, GA 30602 USA. [Ulrich, Luke E.; Zhulin, Igor B.] Univ Tennessee, Oak Ridge Natl Lab, Joint Inst Computat Sci, Oak Ridge, TN USA. [Elkins, James G.; Land, Miriam] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. [Sun, Hui; Lapidus, Alla; Lucas, Susan] Joint Genome Inst, Prod Dept, Walnut Creek, CA USA. [Barry, Kerrie] Joint Genome Inst, Project Management Dept, Walnut Creek, CA USA. [Huber, Harald] Univ Regensburg, Lehrstuhl Mikrobiol, D-8400 Regensburg, Germany. [Huber, Harald] Univ Regensburg, Archaeenzentrum, Regensburg, Germany. [Mukhopadhyay, Biswarup] Virginia Polytech Inst & State Univ, Dept Biol Sci, Blacksburg, VA 24061 USA. [Woese, Carl] Univ Illinois, Dept Microbiol, Urbana, IL 61801 USA. [Bristow, James] Joint Genome Inst, Programs Dept, Walnut Creek, CA USA. [Porat, Iris] Oak Ridge Natl Lab, Biol & Environm Sci Directorate, Oak Ridge, TN USA. RP Anderson, IJ (reprint author), Joint Genome Inst, Genome Biol Program, Walnut Creek, CA USA. EM IJAnderson@lbl.gov; laxo82@vt.edu; jrodri@vt.edu; SHooper@lbl.gov; porati@ornl.gov; ulrich.luke@gmail.com; elkinsjg@ornl.gov; KMavrommatis@lbl.gov; HSun@lbl.gov; landml@ornl.gov; ALapidus@lbl.gov; lucas11@llnl.gov; KWBarry@lbl.gov; harald.huber@biologie.uni-regensburg.de; ijouline@utk.edu; whitman@uga.edu; biswarup@vt.edu; carl@life.uiuc.edu; JBristow@lbl.gov; NCKyrpides@lbl.gov RI Land, Miriam/A-6200-2011; Zhulin, Igor/A-2308-2012; Elkins, James/A-6199-2011; Kyrpides, Nikos/A-6305-2014; Lapidus, Alla/I-4348-2013 OI Land, Miriam/0000-0001-7102-0031; Zhulin, Igor/0000-0002-6708-5323; Elkins, James/0000-0002-8052-5688; Kyrpides, Nikos/0000-0002-6131-0462; Lapidus, Alla/0000-0003-0427-8731 FU US Department of Energy's Office of Science, Biological and Environmental Research Program; University of California, Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory [DE-AC02-06NA25396]; NASA Astrobiology: Exobiology and Evolutionary Biology grant [NNG05GP24G]; DOE [DE-FG02-97ER20269, DE-AC05-000R22725]; National Institutes of Health [GM72285] FX This work was performed under the auspices of the US Department of Energy's Office of Science, Biological and Environmental Research Program, and by the University of California, Lawrence Berkeley National Laboratory under contract No. DE-AC02-05CH11231, Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344, and Los Alamos National Laboratory under contract No. DE-AC02-06NA25396. L. D., J. R., and B. M. were supported by a NASA Astrobiology: Exobiology and Evolutionary Biology grant NNG05GP24G to B. M. I. P. and W. B. W. were supported by DOE contract number DE-FG02-97ER20269. L. E. U. and I. B. Z. were supported by grant number GM72285 from the National Institutes of Health. J. G. E. was supported by the DOE Genomes to Life program. M. L. was supported by the Department of Energy under contract DE-AC05-000R22725. NR 42 TC 22 Z9 144 U1 1 U2 15 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2164 J9 BMC GENOMICS JI BMC Genomics PD APR 2 PY 2009 VL 10 AR 145 DI 10.1186/1471-2164-10-145 PG 13 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA 455YA UT WOS:000266803700001 PM 19341479 ER PT J AU Hayashi, MK Tang, CY Verpelli, C Narayanan, R Stearns, MH Xu, RM Li, HL Sala, C Hayashi, Y AF Hayashi, Mariko Kato Tang, Chunyan Verpelli, Chiara Narayanan, Radhakrishnan Stearns, Marissa H. Xu, Rui-Ming Li, Huilin Sala, Carlo Hayashi, Yasunori TI The Postsynaptic Density Proteins Homer and Shank Form a Polymeric Network Structure SO CELL LA English DT Article ID CRYSTAL-STRUCTURE; COMPLEX REVEALS; RAT FOREBRAIN; EVH1 DOMAIN; KINASE-II; FAMILY; RECEPTOR; SYNAPSES; BINDS; RECOGNITION AB The postsynaptic density (PSD) is crucial for synaptic functions, but the molecular architecture retaining its structure and components remains elusive. Homer and Shank are among the most abundant scaffolding proteins in the PSD, working synergistically for maturation of dendritic spines. Here, we demonstrate that Homer and Shank, together, form a mesh-like matrix structure. Crystallographic analysis of this region revealed a pair of parallel dimeric coiled coils intercalated in a tail-to-tail fashion to form a tetramer, giving rise to the unique configuration of a pair of N-terminal EVH1 domains at each end of the coiled coil. In neurons, the tetramerization is required for structural integrity of the dendritic spines and recruitment of proteins to synapses. We propose that the Homer-Shank complex serves as a structural framework and as an assembly platform for other PSD proteins. C1 [Hayashi, Mariko Kato; Narayanan, Radhakrishnan; Stearns, Marissa H.; Hayashi, Yasunori] MIT, Dept Brain & Cognit Sci, RIKEN MIT Neurosci Res Ctr, Picower Inst Learning & Memory, Cambridge, MA 02139 USA. [Hayashi, Mariko Kato; Hayashi, Yasunori] RIKEN, Brain Sci Inst, Wako, Saitama 3510198, Japan. [Tang, Chunyan; Li, Huilin] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. [Verpelli, Chiara; Sala, Carlo] Univ Milan, Consiglio Nazl Ric, Inst Neurosci, I-20129 Milan, Italy. [Verpelli, Chiara; Sala, Carlo] Univ Milan, Dept Pharmacol, I-20129 Milan, Italy. [Xu, Rui-Ming] New York Univ, Structural Biol Program, Skirball Inst Biomol Med, Helen L & Martin S Kimmel Ctr Biol & Med,Sch Med, New York, NY 10016 USA. [Xu, Rui-Ming] New York Univ, Sch Med, Dept Pharmacol, New York, NY 10016 USA. RP Hayashi, MK (reprint author), MIT, Dept Brain & Cognit Sci, RIKEN MIT Neurosci Res Ctr, Picower Inst Learning & Memory, E25-618, Cambridge, MA 02139 USA. EM hayashim@mit.edu RI Tang, Chunyan/E-8352-2010; Hayashi, Yasunori/C-2249-2008; Hayashi, Mariko/L-1187-2013; Sala, Carlo/A-2493-2009; Verpelli, Chiara/K-6673-2016 OI Hayashi, Yasunori/0000-0002-7560-3004; Sala, Carlo/0000-0003-0662-9523; Verpelli, Chiara/0000-0003-2949-9725 FU NIH [GM68762, R01DA17310]; RIKEN; Ministry of Education, Science, and Culture of Japan; Telethon Italy [GGP06208]; Fondazione Cariplo [2006-0779/109251]; Compagnia di San Paolo [2005-1964]; [NSF-0070319] FX The crystallographic data were deposited in PDB with accession number 3CVE (Homer1b) and 3CVF (Homer3a). We thank Doctors Amy E. Keating, Robert T. Sauer, Myung Jong Kim, Amanda Mower, Teiichi Furuichi, and Morgan Sheng for helpful discussion and sharing of resources, as well as Ms. Cristina Zucchi and Ms. Valentina Giannini for technical help. The Biophysical Instrumentation Facility for the Study of Complex Macromolecular Systems (supported by NSF-0070319 and NIH GM68762) at Massachusetts Institute of Technology is gratefully acknowledged. This work was supported by RIKEN; NIH grant R01DA17310; Grant-in-Aid from the Ministry of Education, Science, and Culture of Japan (Y.H.); Telethon Italy (grant number GGP06208); Fondazione Cariplo (project number 2006-0779/109251); and Compagnia di San Paolo (project number 2005-1964) (C.S.). NR 35 TC 125 Z9 126 U1 2 U2 17 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0092-8674 J9 CELL JI Cell PD APR 2 PY 2009 VL 137 IS 1 BP 159 EP 171 DI 10.1016/j.cell.2009.01.050 PG 13 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 427XV UT WOS:000264813300022 PM 19345194 ER PT J AU Fata, SN AF Fata, S. Nintcheu TI Explicit expressions for 3D boundary integrals in potential theory SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING LA English DT Article DE analytic integration; singular integrals; boundary integral method; triangular boundary; potential theory ID ELEMENT INTEGRALS; GALERKIN BEM AB On employing isoparametric, piecewise linear shape functions over a flat triangular domain, exact expressions are derived for all surface potentials involved in the numerical solution of three-dimensional singular and hyper-singular boundary integral equations of potential theory. These formulae, which are valid for an arbitrary source point in space, are represented as analytic expressions over the edges of the integration triangle. They can be used to solve integral equations defined on polygonal boundaries via the collocation method or may be utilized as analytic expressions for the inner integrals in the Galerkin technique. In addition, the constant element approximation can be directly obtained with no extra effort. Sample problems solved by the collocation boundary element method for the Laplace equation are included to validate the proposed formulae. Copyright (C) 2008 John Wiley & Sons, Ltd. C1 Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Fata, SN (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, POB 2008,MS 6367, Oak Ridge, TN 37831 USA. EM nintcheufats@ornl.gov FU U.S. Government [DE-AC05-00OR22725] FX The submitted manuscript has been authored by a contractor of the U.S. Government under Contract No. DE-AC05-00OR22725. Accordingly, the U.S. Government retains a non-exclusive, royalty-fi-ce license to publish or reproduce the published form of this contribution, or allow others to do so, for U.S. Government purposes. NR 23 TC 22 Z9 23 U1 1 U2 6 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0029-5981 J9 INT J NUMER METH ENG JI Int. J. Numer. Methods Eng. PD APR 2 PY 2009 VL 78 IS 1 BP 32 EP 47 DI 10.1002/nme.2472 PG 16 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 431HY UT WOS:000265053400002 ER PT J AU Cox, JV AF Cox, James V. TI An extended finite element method with analytical enrichment for cohesive crack modeling SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING LA English DT Article DE solids; extended finite element method; XFEM; fracture; cohesive crack; partition of unity ID QUASI-BRITTLE FRACTURE; FAILURE ANALYSIS; ASYMPTOTIC ANALYSIS; ZONE MODELS; LEVEL SETS; GROWTH; TIP; CONCRETE; DISCONTINUITIES; PARTITION AB A recent approach to fracture modeling has combined the extended finite element method (XFEM) with cohesive zone models. Most studies have used simplified enrichment functions to represent the strong discontinuity but have lacked an analytical basis to represent the displacement gradients in the vicinity of the cohesive crack. In this study enrichment functions based upon an existing analytical investigation of the cohesive crack problem are proposed. These functions have the potential of representing displacement gradients in the vicinity of the cohesive crack and allow the crack to incrementally advance across each element. Key aspects of the corresponding numerical formulation and enrichment functions are discussed. A parameter study for a simple mode I model problem is presented to evaluate if quasi-static crack propagation can be accurately followed with the proposed formulation. The effects of mesh refinement and mesh orientation are considered. Propagation of the cohesive zone tip and crack tip, time variation of the cohesive zone length, and crack profiles are examined. The analysis results indicate that the analytically based enrichment functions can accurately track the cohesive crack propagation of a mode I crack independent of mesh orientation. A mixed mode example further demonstrates the potential of the formulation. Copyright (C) 2008 John Wiley & Sons, Ltd. C1 Sandia Natl Labs, Appl Mech Dev Dept, Albuquerque, NM 87185 USA. RP Cox, JV (reprint author), Sandia Natl Labs, Appl Mech Dev Dept, POB 5800, Albuquerque, NM 87185 USA. EM jvcox@sandia.gov FU U.S. Department of Energy; ORISE FX Contract/grant sponsor: ORISE at ARL NR 64 TC 22 Z9 23 U1 2 U2 22 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0029-5981 J9 INT J NUMER METH ENG JI Int. J. Numer. Methods Eng. PD APR 2 PY 2009 VL 78 IS 1 BP 48 EP 83 DI 10.1002/nme.2475 PG 36 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 431HY UT WOS:000265053400003 ER PT J AU Chang, LS Schwartz, SE McGraw, R Lewis, ER AF Chang, Lim-Seok Schwartz, Stephen E. McGraw, Robert Lewis, Ernie R. TI Sensitivity of aerosol properties to new particle formation mechanism and to primary emissions in a continental-scale chemical transport model SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID GENERAL-CIRCULATION MODELS; CLOUD CONDENSATION NUCLEI; NUCLEATION EVENTS; ATMOSPHERIC PARTICLES; TROPOSPHERIC AEROSOLS; NUMBER-DISTRIBUTION; SIZE DISTRIBUTIONS; FORMATION RATES; BOUNDARY-LAYER; AIR-QUALITY AB Four theoretical formulations of new particle formation (NPF) and one empirical formulation are used to examine the sensitivity of observable aerosol properties to NPF formulation and to properties of emitted particles in a continental-scale model for the United States over a 1-month simulation (July 2004). For each formulation the dominant source of Aitken mode particles is NPF with only a minor contribution from primary emissions, whereas for the accumulation mode both emissions and transfer of particles from the Aitken mode are important. The dominant sink of Aitken mode number is coagulation, whereas the dominant sink of accumulation mode number is wet deposition (including cloud processing), with a minor contribution from coagulation. The aerosol mass concentration, which is primarily in the accumulation mode, is relatively insensitive to NPF formulation despite order-of-magnitude differences in the Aitken mode number concentration among the different parameterizations. The dominant sensitivity of accumulation mode number concentration is to the number of emitted particles (for constant mass emission rate). Comparison of modeled aerosol properties with aircraft measurements shows, as expected, better agreement in aerosol mass concentration than in aerosol number concentration for all NPF formulations considered. These comparisons yield instances of rather accurate simulations in the planetary boundary layer, with poor model performance in the free troposphere attributed mainly to lack of representation of biomass burning and/or to long-range transport of particles from outside the model domain. Agreement between model results and measurements is improved by using smaller grid cells (12 km versus 60 km). C1 [Chang, Lim-Seok; Schwartz, Stephen E.; McGraw, Robert; Lewis, Ernie R.] Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. RP Chang, LS (reprint author), Natl Inst Environm Res, Global Environm Res Ctr, Inchon 404708, South Korea. EM elewis@bnl.gov RI Schwartz, Stephen/C-2729-2008 OI Schwartz, Stephen/0000-0001-6288-310X FU U. S. Department of Energy [DE-AC02-98CH10886] FX This work was supported by the U. S. Department of Energy's Atmospheric Science Program (Office of Science, OBER) under contract DE-AC02-98CH10886. We acknowledge Douglas L. Wright of Rutgers University for his early work on this study. We thank Stuart McKeen (NOAA) for providing emission data, Gregory R. Carmichael (University of Iowa) for providing meteorological data, Charles Brock (NOAA) for providing aerosol number distribution data, John Nowak (NOAA) for providing ammonia data, and Ann Middlebrook (NOAA) for providing aerosol mass spectrometer data. NR 54 TC 12 Z9 12 U1 2 U2 10 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD APR 2 PY 2009 VL 114 AR D07203 DI 10.1029/2008JD011019 PG 25 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 428PU UT WOS:000264862000005 ER PT J AU Elliott, S AF Elliott, Scott TI Dependence of DMS global sea-air flux distribution on transfer velocity and concentration field type SO JOURNAL OF GEOPHYSICAL RESEARCH-BIOGEOSCIENCES LA English DT Article ID DIMETHYL SULFIDE; GAS-EXCHANGE; WATER-INTERFACE; SURFACE OCEAN; MARINE-ALGAE; MODEL; SULFUR; PHYTOPLANKTON; DYNAMICS; NITROGEN AB Large-scale transport of marine reduced sulfur to the troposphere is a key to climate and global change, due to the influence of dimethyl sulfide (DMS) on aerosol/condensation nucleus fields. The sensitivity of DMS fluxes to sea-air transfer scheme has previously been studied using established climatologies or local simulations. However, planetary level sulfur cycle models are now coming on line, and roughly coincident, eddy correlation measurements indicate that interfacial behavior of the compound may be distinct from less soluble gases. Variation of the overall sulfur flux distribution is explored here for an historical sampling of piston velocities expressed as functions of the reference height wind, plus a composite reflecting the new transfer estimates. Dissolved concentrations are derived alternately from a current generation biogeochemistry model or the standard compilation. Comparisons of simulation and data-driven fields show that both have advantages. Modeling captures fine resolution features along frontal systems and provides a natural, biogeographic extrapolation across the general circulation. Climatology is free from physical or biotic computational biases and also is relatively strongly supported by coastal measurements. Contrast among the piston formulas includes integrated mass transfer differences as large as a factor of two. Working from the composite scheme, potential is demonstrated for improvements to shift marine DMS outputs from the Southern Ocean toward the equator. Complexities deriving from atmospheric stability, bubble enhancement, and surfactant chemistry may temper these results. Global budgets fall within the envelope of earlier work, 15 to 35 Tg S a(-1). C1 Los Alamos Natl Lab, Computat Sci Div, Climate Ocean Sea Ice Modeling, Los Alamos, NM 87505 USA. RP Elliott, S (reprint author), Los Alamos Natl Lab, Computat Sci Div, Climate Ocean Sea Ice Modeling, Mail Stop D-413, Los Alamos, NM 87505 USA. EM sme@lanl.gov FU U. S. Department of Energy Office of Biological and Environmental Research SciDAC project FX The author thanks the U. S. Department of Energy Office of Biological and Environmental Research SciDAC project (Scientific Discovery through Advanced Computing) for sole support. NR 51 TC 25 Z9 25 U1 0 U2 9 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-8953 EI 2169-8961 J9 J GEOPHYS RES-BIOGEO JI J. Geophys. Res.-Biogeosci. PD APR 2 PY 2009 VL 114 AR G02001 DI 10.1029/2008JG000710 PG 18 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 428QL UT WOS:000264863800001 ER PT J AU Xantheas, SS Voth, GA AF Xantheas, Sotiris S. Voth, Gregory A. TI Aqueous Solutions and Their Interfaces SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID ROTATION TUNNELING SPECTROSCOPY; TRANSFERABLE INTERACTION MODELS; RADIAL-DISTRIBUTION FUNCTIONS; TERAHERTZ LASER SPECTROSCOPY; WATER LIQUID/VAPOR INTERFACE; MONTE-CARLO-SIMULATION; CHEM.-CHEM.-PHYS.; MOLECULAR-COMPLEXES; AB-INITIO; PENTAMER STRUCTURE C1 [Xantheas, Sotiris S.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Voth, Gregory A.] Univ Utah, Salt Lake City, UT 84112 USA. RP Xantheas, SS (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. RI Xantheas, Sotiris/L-1239-2015 NR 66 TC 4 Z9 4 U1 1 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 2 PY 2009 VL 113 IS 13 BP 3997 EP 3999 DI 10.1021/jp900202a PG 3 WC Chemistry, Physical SC Chemistry GA 424TS UT WOS:000264591800001 PM 19320518 ER PT J AU Smith, RS Zubkov, T Dohnalek, Z Kay, BD AF Smith, R. Scott Zubkov, Tykhon Dohnalek, Zdenek Kay, Bruce D. TI The Effect of the Incident Collision Energy on the Porosity of Vapor-Deposited Amorphous Solid Water Films SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID GLANCING ANGLE DEPOSITION; REFLECTION-ABSORPTION-SPECTROSCOPY; REACTIVE BALLISTIC DEPOSITION; SCULPTURED THIN-FILMS; 150 K; ASTROPHYSICAL IMPLICATIONS; CRYSTALLIZATION KINETICS; VIBRATIONAL-SPECTRA; SELF-DIFFUSIVITY; MOLECULAR-BEAMS AB Molecular beam techniques are used to grow water films on Pt(111) with various incident angles and collision 4 energies from 5 to 205 kJ/mol. The effect of the incident angle and collision energy on the porosity and surface area of the vapor-deposited water films was studied using nitrogen physisorption and infrared spectroscopy. At low incident energy (5 kJ/mol), the infrared spectra, which provide a direct measure of the surface area, show that the surface area increases with incident angle and levels off at angles >65 degrees. This is in contrast to the nitrogen uptake data, which display a maximum near 65 degrees because of the decrease in nitrogen condensation in the larger pores that develop at high incident angles. Both techniques show that the morphology of vapor-deposited water films depends strongly on the incident kinetic energy. These observations are consistent with a ballistic deposition shadowing rnodel used to describe the growth of highly porous materials at glancing angle. The dependence of film morphology on incident energy may have important implications for the growth of porous materials via glancing angle deposition and for the structure of interstellar ices. C1 [Smith, R. Scott; Zubkov, Tykhon; Dohnalek, Zdenek; Kay, Bruce D.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. RP Kay, BD (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, POB 999,Mail Stop K8-88, Richland, WA 99352 USA. EM Bruce.Kay@pnl.gov RI Wu, Qihong/B-9803-2009; Smith, Scott/G-2310-2015; OI Smith, Scott/0000-0002-7145-1963; Dohnalek, Zdenek/0000-0002-5999-7867 FU U.S. Department of Energy (DOE); Office of Basic Energy Sciences; DOE's Office of Biological and Environmental Research FX This work was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Chemical Science Division. The experiments were performed at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated for DOE by Battelle. NR 81 TC 16 Z9 16 U1 3 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 2 PY 2009 VL 113 IS 13 BP 4000 EP 4007 DI 10.1021/jp804902p PG 8 WC Chemistry, Physical SC Chemistry GA 424TS UT WOS:000264591800002 PM 18821790 ER PT J AU Ehrler, OT Griffin, GB Young, RM Neumark, DM AF Ehrler, Oli T. Griffin, Graham B. Young, Ryan M. Neumark, Daniel M. TI Photoinduced Electron Transfer and Solvation in Iodide-doped Acetonitrile Clusters SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID TO-SOLVENT DYNAMICS; CHARGE-TRANSFER; EXCESS ELECTRONS; PHOTOELECTRON-SPECTROSCOPY; RELAXATION DYNAMICS; LIQUID ACETONITRILE; ULTRAFAST DYNAMICS; WATER CLUSTERS; EXCITED-STATES; HALIDE-IONS AB We have used ultrafast time-resolved photoelectron imaging to measure charge transfer dynamics in iodide(loped acetonitrile clusters I(-)(CH(3)CN)(n) with n = 5-10. Strong modulations of vertical detachment eneregies were observed following charge transfer from the halide, allowing interpretation of the ongoing dynamics. We observe a sharp drop in the vertical detachment energy (VIDE) within 300-400 fs, followed by a biexponential increase that is complete by similar to 10 ps. Comparison to theory suggests that the iodide is internally solvated and that photodetachment results in formation of a diffuse electron cloud in a confined cavity. We interpret the initial drop in VDE as a combination of expansion of the cavity and localization of the excess electron on one or two solvent molecules. The subsequent increase in VDE is attributed to a combination of the I atom leaving the cavity and rearrangement of the acetonitrile molecules to solvate the electron. The n = 5-8 clusters then show a drop in VDE of around 50 meV on a much longer time scale. The long-time VDEs are consistent with those of (CH(3)CN)(n)(-) clusters with internally solvated electrons. Although the excited-state created by the Pump pulse decays by emission of a slow electron, no such decay is seen by 200 ps. C1 [Neumark, Daniel M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Neumark, DM (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM dneumark@berkeley.edu RI Neumark, Daniel/B-9551-2009; Ehrler, Oli/B-6215-2008; OI Neumark, Daniel/0000-0002-3762-9473; Young, Ryan/0000-0002-5108-0261 FU National Science Foundation [CHE-0649647]; A. von Humboldt Foundation (Germany) FX This research is supported by the National Science Foundation under Grant No. CHE-0649647. OTE is grateful to the A. von Humboldt Foundation (Germany) for the award of a Feodor-Lynen fellowship. NR 50 TC 20 Z9 20 U1 1 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 2 PY 2009 VL 113 IS 13 BP 4031 EP 4037 DI 10.1021/jp806856m PG 7 WC Chemistry, Physical SC Chemistry GA 424TS UT WOS:000264591800005 PM 18991375 ER PT J AU Noah-Vanhoucke, J Smith, JD Geissler, PL AF Noah-Vanhoucke, Joyce Smith, Jared D. Geissler, Phillip L. TI Toward a Simple Molecular Understanding of Sum Frequency Generation at Air-Water Interfaces SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID ECHO CORRELATION SPECTROSCOPY; LIQUID-VAPOR INTERFACE; VIBRATIONAL SPECTROSCOPY; DYNAMICS SIMULATIONS; THEORETICAL-ANALYSIS; DILUTE HOD; SURFACE; SPECTRUM; ORIENTATION; POTENTIALS AB Second-order vibrational spectroscopies successfully isolate signals from interfaces, but they report on intermolecular structure in a complicated and indirect way. Here, we adapt a perspective on vibrational response developed for bulk spectroscopies to explore the microscopic fluctuations to which sum frequency generation (SFG), a popular surface-specific measurement, is most sensitive. We focus exclusively on inhomogeneous broadening of spectral susceptibilities for OH stretching of HOD as a dilute solute in D(2)O. Exploiting a simple connection between vibrational frequency shifts and an electric field variable, we identify several functions of molecular orientation whose averages govern SFG. The frequency dependence of these quantities is well captured by a pair of averages, involving alignment of OH and OD bonds with the surface normal at corresponding values of the electric field. The approximate form we obtain for SFG susceptibility highlights a dramatic sensitivity to the way a simulated liquid slab is partitioned for calculating second-order response. C1 [Noah-Vanhoucke, Joyce; Geissler, Phillip L.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Smith, Jared D.; Geissler, Phillip L.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Geissler, PL (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. FU Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division; Chemical Sciences, Geosciences, and Biosciences Division under the Department of Energy [DE-AC02-05CH11231]; NSF [CHE-0233882]; Camille and Henry Dreyfus Foundation postdoctoral program in environmental chemistry FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division and the Chemical Sciences, Geosciences, and Biosciences Division under the Department of Energy Contract No. DE-AC02-05CH11231. Gaussian calculations were performed at the U.C. Berkeley College of Chemistry Molecular Graphics and Computation Facility (NSF Grant No. CHE-0233882). J.D.S is supported by the Camille and Henry Dreyfus Foundation postdoctoral program in environmental chemistry. NR 51 TC 22 Z9 22 U1 1 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 2 PY 2009 VL 113 IS 13 BP 4065 EP 4074 DI 10.1021/jp805928h PG 10 WC Chemistry, Physical SC Chemistry GA 424TS UT WOS:000264591800009 PM 19278256 ER PT J AU Johnson, ME Malardier-Jugroot, C Murarka, RK Head-Gordon, T AF Johnson, Margaret E. Malardier-Jugroot, Cecile Murarka, Rajesh K. Head-Gordon, Teresa TI Hydration Water Dynamics Near Biological Interfaces SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID ANOMALOUS DIELECTRIC-RELAXATION; INELASTIC NEUTRON-SCATTERING; POLAR SOLVATION DYNAMICS; MOLECULAR-DYNAMICS; SUPERCOOLED WATER; AQUEOUS-SOLUTIONS; PROTEIN SOLUTIONS; GLOBULAR PROTEIN; AMINO-ACID; SURFACE AB We performed classical molecular dynamics Simulations using both fixed-charge and polarizable water and protein force fields to contrast the hydration dynamics near hydrophilic and amphiphilic peptides as a function of temperature. The high peptide concentrations we use serve as a model for the surface of folded proteins where hydration layers around each residue overlap significantly. Through Simulation we determine that there are notable differences in the water dynamics analyzed from the outer and inner hydration layer regions of the amphiphilic peptide solution that explains the experimentally observed presence of two translational relaxations, while the hydrophilic peptide solution shows only a single non-Arrhenius translational process with no distinction between hydration layers. Given that water dynamics for the amphiphilic peptide system reproduces all known rotational and translational hydration dynamical anomalies exhibited by hydration water near protein surfaces, our analysis provides strong, evidence that dynamical signatures near biological inter-faces arises because of frustration in the hydration dynamics induced by chemical heterogeneity, its opposed to just topological roughness, of the protein surface. C1 [Johnson, Margaret E.; Head-Gordon, Teresa] Univ Calif Berkeley, UCSF UCB Joint Grad Grp Bioengn, Dept Bioengn, Berkeley, CA 94720 USA. [Johnson, Margaret E.; Head-Gordon, Teresa] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Malardier-Jugroot, Cecile] Royal Mil Coll Canada, Dept Chem & Chem Engn, Kingston, ON K7K 7B4, Canada. [Murarka, Rajesh K.] Cornell Univ, Baker Lab Chem & Chem Biol, Ithaca, NY 14853 USA. RP Head-Gordon, T (reprint author), Univ Calif Berkeley, UCSF UCB Joint Grad Grp Bioengn, Dept Bioengn, Berkeley, CA 94720 USA. RI Head-Gordon, Teresa/E-5818-2011; Johnson, Margaret/M-4708-2016 OI Johnson, Margaret/0000-0001-9881-291X FU Department of Energy, Condensed Phase, and interfacial Molecular Science Program, [DE-AC02-05CHI 1231] FX We gratefully acknowledge the support of the Department of Energy, Condensed Phase, and interfacial Molecular Science Program, DE-AC02-05CHI 1231 and NERSC for computational resources. We Would like to thank the NIST Center for Neutron Research (NCNR) for the beam time used to collect the experimental results. NR 63 TC 35 Z9 35 U1 2 U2 27 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 2 PY 2009 VL 113 IS 13 BP 4082 EP 4092 DI 10.1021/jp806183v PG 11 WC Chemistry, Physical SC Chemistry GA 424TS UT WOS:000264591800011 PM 19425247 ER PT J AU Cholette, F Zubkov, T Smith, RS Dohnalek, Z Kay, BD Ayotte, P AF Cholette, Francois Zubkov, Tykhon Smith, R. Scott Dohnalek, Zdenek Kay, Bruce D. Ayotte, Patrick TI Infrared Spectroscopy and Optical Constants of Porous Amorphous Solid Water SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID REACTIVE BALLISTIC DEPOSITION; GLANCING ANGLE DEPOSITION; THIN-FILMS; MOLECULAR-BEAM; ACID SOLUTIONS; EVOLVED STARS; ICE GROWTH; H2O ICE; SPECTRA; SURFACE AB Reflection-absorption infrared spectra (RAIRS) of amorphous solid water (ASW) films grown at 20 K on a Pt(111) substrate at various angles (theta(Beam) = 0-85 degrees) using a molecular beam are reported. They display complex features arising from the interplay between refraction, absorption within the sample, and interference effects between the multiple reflections at the film-substrate and film-vacuum interfaces. Using a simple classical optics model based on Fresnel equations, we obtain optical constants [i.e., n(omega) and k(omega)] for porous ASW in the 1000-4000 cm(-1) (10-2.5 mu m) range. The behavior of the optical properties of ASW in the intramolecular OH stretching region with increasing theta(Beam) is shown to be strongly correlated with its decreasing density and increasing surface area. A direct comparison between the RAIRS and calculated vibrational spectra shows a large difference (similar to 200 cm(-1)) in the position of the coupled H-bonded intramolecular OH stretching vibrations spectral feature. Moreover, this band shifts in opposite directions with increasing theta(Beam) in RAIRS and vibrational spectra demonstrating RAIRS spectra cannot be interpreted straightforwardly as vibrational spectra due to severe optical distortions from refraction and interference effects. C1 [Zubkov, Tykhon; Smith, R. Scott; Dohnalek, Zdenek; Kay, Bruce D.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Cholette, Francois; Ayotte, Patrick] Univ Sherbrooke, Dept Chim, Sherbrooke, PQ J1K 2R1, Canada. RP Kay, BD (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, POB 999,Mail Stop K8-88, Richland, WA 99352 USA. EM Bruce.Kay@pnl.gov; Patrick.Ayotte@USherbrooke.ca RI Wu, Qihong/B-9803-2009; Liu, Anwen/F-5926-2010; Smith, Scott/G-2310-2015; OI Smith, Scott/0000-0002-7145-1963; Dohnalek, Zdenek/0000-0002-5999-7867 FU U.S Department of Energy (DOE); Office of Basic Energy Sciences, Chemical Science Division; National Science and Engineering Research Council (NSERC) of Canada; Canadian Foundation for Innovation FX This work was Supported by the U.S Department of Energy (DOE), Office of Basic Energy Sciences, Chemical Science Division. The experiments were performed at the W.R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated for DOE by Battelle. P.A. acknowledges support from the National Science and Engineering Research Council (NSERC) of Canada and the Canadian Foundation for Innovation. NR 55 TC 13 Z9 13 U1 0 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 2 PY 2009 VL 113 IS 13 BP 4131 EP 4140 DI 10.1021/jp806738a PG 10 WC Chemistry, Physical SC Chemistry GA 424TS UT WOS:000264591800017 PM 18991440 ER PT J AU Wick, CA Xantheas, SS AF Wick, Collin A. Xantheas, Sotiris S. TI Computational Investigation of the First Solvation Shell Structure of Interfacial and Bulk Aqueous Chloride and Iodide Ions SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID LIQUID-VAPOR INTERFACE; MOLECULAR-DYNAMICS; AIR/WATER INTERFACE; WATER-MOLECULES; SURFACE-TENSION; SPECTROSCOPY; BINDING; HALIDES; ANIONS; SALTS AB Molecular dynamics simulations with polarizable interaction potentials were carried out to understand the solvation structure of chloride and iodide anions in bulk and interfacial water, showing qualitative similarities between the first solvation shell Structures at the interface and bulk. For the more polarizable iodide, its solvation structure was found to be more anisotropic than chloride, and this trend persisted at both the interface and in the bulk. The anisotropy of the solvation structure correlated with polarizability, but it was also found to inversely correlate with anion size. When polarizability was reduced to near zero, a very small anisotropy in the water solvation structure around the ion still persisted. Polarizable anions were found to have on average an induced dipole in the bulk that was significantly larger than zero. This induced dipole resulted in the water hydrogen atoms having stronger interactions with the anions on one side of them, in which the dipole was pointing. In contrast, the other side of the anions, in which the induced dipole was pointing away from, had fewer water molecules present and, for the case of iodide, was rather devoid of water molecules all together at both the interface and in the bulk. This region formed a small cavity in the bulk, whereas at the air-water interface it was simply part of the air interface. In the bulk, this small cavity may be viewed as somewhat hydrophobic, and the need for the extinction of this cavity may be one of the major driving forces for the more polarizable anions to reside at the air-water interface. C1 [Xantheas, Sotiris S.] Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99352 USA. [Wick, Collin A.] Louisiana Tech Univ, Dept Chem, Ruston, LA 71270 USA. RP Xantheas, SS (reprint author), Pacific NW Natl Lab, Chem & Mat Sci Div, 902 Battelle Blvd,POB 999 MS K1-83, Richland, WA 99352 USA. EM cwick@latech.edu; sotiris.xantheas@pni.gov RI Xantheas, Sotiris/L-1239-2015; OI Xantheas, Sotiris/0000-0002-6303-1037 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US Department of Energy; Louisiana Board of Regents Research Competitiveness Subprogram [3LEQSF(2008-11)RD-A-21] FX Part of this work was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US Department of Energy. Battelle operates the Pacific Northwest National Laboratory for the US Department of Energy. In addition, some of the research was funded by the Louisiana Board of Regents Research Competitiveness Subprogram contract No. 3LEQSF(2008-11)RD-A-21. The Calculations were carried out using the resources from the Louisiana Optical Network Initiative (LONI). Additional computer resources were provided by the Office of Basic Energy Sciences, US Department of Energy. NR 31 TC 53 Z9 53 U1 1 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 2 PY 2009 VL 113 IS 13 BP 4141 EP 4146 DI 10.1021/jp806782r PG 6 WC Chemistry, Physical SC Chemistry GA 424TS UT WOS:000264591800018 PM 19014185 ER PT J AU Chempath, S Pratt, LR AF Chempath, Shaji Pratt, Lawrence R. TI Distribution of Binding Energies of a Water Molecule in the Water Liquid-Vapor Interface SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID DYNAMICS AB Distributions of binding energies of a water molecule in the water liquid-vapor interface are obtained on the basis of molecular simulation with the SPC/E model of water. These binding energies together with the observed interfacial density profile are used to test a minimally conditioned Gaussian quasi-chemical statistical thermodynamic theory. Binding energy distributions for water molecules in that interfacial region clearly exhibit a composite structure. A minimally conditioned Gaussian quasi-chemical model that is accurate for the free energy of bulk liquid water breaks down for water molecules in the liquid-vapor interfacial region. This breakdown is associated with the fact that this minimally conditioned Gaussian model would be inaccurate for the statistical thermodynamics of a dilute gas. Aggressive conditioning greatly improves the performance of that Gaussian quasi-chemical model. The analogy between the Gaussian quasi-chemical model and dielectric models of hydration free energies suggests that naive dielectric models without the conditioning features of quasi-chemical theory will be unreliable for these interfacial problems. Multi-Gaussian models that address the composite nature of the binding energy distributions observed in the interfacial region might provide a mechanism for correcting dielectric models for practical applications. C1 [Pratt, Lawrence R.] Tulane Univ, Dept Chem & Biomol Engn, New Orleans, LA 70118 USA. [Chempath, Shaji] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Pratt, LR (reprint author), Tulane Univ, Dept Chem & Biomol Engn, New Orleans, LA 70118 USA. EM lpratt@tulane.edu RI Pratt, Lawrence/H-7955-2012 OI Pratt, Lawrence/0000-0003-2351-7451 FU National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06N A25396]; Office of Basic Energy Sciences under the U.S. Department of Energy FX This work was carried out under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52-06N A25396. This project was funded by the Office of Basic Energy Sciences under the U.S. Department of Energy. We thank H. S. Ashbaugh for helpful conversations on this research. NR 16 TC 11 Z9 11 U1 0 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 2 PY 2009 VL 113 IS 13 BP 4147 EP 4151 DI 10.1021/jp806858z PG 5 WC Chemistry, Physical SC Chemistry GA 424TS UT WOS:000264591800019 PM 19006274 ER PT J AU Donadio, D Cicero, G Schwegler, E Sharma, M Galli, GL AF Donadio, Davide Cicero, Giancarlo Schwegler, Eric Sharma, Mann Galli, Giulia TI Electronic Effects in the IR Spectrum of Water under Confinement SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID INITIO MOLECULAR-DYNAMICS; LOCALIZED WANNIER FUNCTIONS; DENSITY-FUNCTIONAL THEORY; CARBON NANOTUBES; SIMULATIONS; POLARIZATION; COMPUTATION; POTENTIALS; HYDRATION; QUANTUM AB We compare calculations of infrared (IR) spectra of water confined between nonpolar surfaces, obtained by molecular dynamics simulations with forces either computed using density functional theory or modeled by empirical potentials. Our study allows for the identification of important electronic effects, contributing to IR signals, that are not included in simulations based on empirical force fields, and cannot be extracted from the analysis of vibrational density of states. These effects originate from electronic charge fluctuations involving both surface and water molecules in close proximity of the interface. The implications of our findings for the interpretation of experimental data are discussed. C1 [Donadio, Davide; Sharma, Mann; Galli, Giulia] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [Cicero, Giancarlo] Politecn Torino, Dept Mat Sci & Chem Engn, Turin, Italy. [Schwegler, Eric] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Donadio, D (reprint author), Univ Calif Davis, Dept Chem, 1 Shields Ave, Davis, CA 95616 USA. RI Schwegler, Eric/F-7294-2010; Donadio, Davide/C-6971-2008; Schwegler, Eric/A-2436-2016; OI Donadio, Davide/0000-0002-2150-4182; Schwegler, Eric/0000-0003-3635-7418; Cicero, Giancarlo/0000-0002-2920-9882 FU Scidac [DE-FG02-06ER46262]; University of California/Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX We gratefully acknowledge Support from Scidac Grant No. DE-FG02-06ER46262. Part of this work was performed under the auspices of the U.S. Dept. of Energy at the University of California/Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 49 TC 24 Z9 24 U1 0 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 2 PY 2009 VL 113 IS 13 BP 4170 EP 4175 DI 10.1021/jp807709z PG 6 WC Chemistry, Physical SC Chemistry GA 424TS UT WOS:000264591800022 PM 19231886 ER PT J AU Luo, HM Baker, GA Lee, JS Pagni, RM Dai, S AF Luo, Huimin Baker, Gary A. Lee, Je Seung Pagni, Richard M. Dai, Sheng TI Ultrastable Superbase-Derived Protic Ionic Liquids SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID GAS-PHASE; CONDUCTIVITY; ELECTROLYTES; BASICITY; POLARITY; CATIONS AB Protic ionic liquids are synthesized via proton transfer from acids to organic bases. One of the key issues associated with conventional protic ionic liquids is the thermal instability resulting from temperature-induced decomposition via reverse proton transfer. This shortcoming significantly hampers the use of these protic ionic liquids in separations, electrochemical capacitors, fuel cells, and so forth. Herein we show that it is possible to prepare protic ionic liquids with thermal stabilities approaching those of common aprotic ionic liquids. Our new class of protic ionic liquids, derived via integrated neutralization and metathesis of superbasic phosphazenes or guanidines, exhibits exceptionally low vapor pressures at 150 degrees C while being stable to strong alkali agents such as aqueous KOH, suggesting potential in energy-related applications, including electrochemical capacitors and PEM-type fuel cells. C1 [Baker, Gary A.; Lee, Je Seung; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Luo, Huimin] Oak Ridge Natl Lab, Nucl Sci & Technol Div, Oak Ridge, TN 37831 USA. [Pagni, Richard M.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM dais@ornl.gov RI Baker, Gary/H-9444-2016; Dai, Sheng/K-8411-2015 OI Baker, Gary/0000-0002-3052-7730; Dai, Sheng/0000-0002-8046-3931 FU Office of Basic Energy Sciences, U.S. Department of Energy; Laboratory Directed Research and Development Program at Oak Ridge National Laboratory FX This work was supported by the Office of Basic Energy Sciences, U.S. Department of Energy, and was by the Laboratory Directed Research and Development Program at Oak Ridge National Laboratory. NR 20 TC 54 Z9 54 U1 1 U2 51 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 2 PY 2009 VL 113 IS 13 BP 4181 EP 4183 DI 10.1021/jp901312d PG 3 WC Chemistry, Physical SC Chemistry GA 424TS UT WOS:000264591800024 PM 19320520 ER PT J AU Thiel, PA Shen, M Liu, DJ Evans, JW AF Thiel, Patricia A. Shen, Mingmin Liu, Da-Jiang Evans, J. W. TI Coarsening of Two-Dimensional Nanoclusters on Metal Surfaces SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Review ID SCANNING-TUNNELING-MICROSCOPY; FROM-EQUILIBRIUM NANOSTRUCTURES; MONTE-CARLO SIMULATIONS; THIN-FILM GROWTH; ISLAND DIFFUSION; CLUSTER DIFFUSION; BROWNIAN-MOTION; VACANCY CLUSTERS; CRYSTAL-SURFACES; SELF-DIFFUSION AB We describe experimental observations and theoretical analysis of the coarsening of distributions of two-dimensional nanoclusters, either adatom islands or vacancy pits, on metal surfaces. A detailed analyses is provided for Ag(111) and Ag(100) surfaces, although we also discuss corresponding behavior for Cu(111) and Cu(100) surfaces. The dominant kinetic pathway for coarsening can be either Ostwald ripening (OR), i.e., growth of larger Clusters at the expense of smaller ones, or Smoluchowski ripening (SR), i.e., diffusion and coalescence of clusters. First, for pristine additive-free surfaces, we elucidate the factors which control the dominant pathway. OR kinetics generally follows the predictions of mesoscale continuum theories. SR kinetics is controlled by the size-dependence of cluster diffusion. However, this size-dependence, together with that of nanostructure shape relaxation upon coalescence, often deviates from mesoscale predictions as a direct consequence of the nanoscale dimension of the clusters. Second, we describe examples for the above systems where trace amounts of a chemical additive lead to dramatic enhancement of coarsening. We focus oil the scenario where "facile reaction" of metal and additive atoms leads to the formation of mobile additive-metal complexes which can efficiently transport metal across the surface, i.e., additive-enhanced OR. A suitable reaction-diffusion equation formulation is developed to describe this behavior. C1 [Thiel, Patricia A.] Iowa State Univ, US DOE, Dept Mat Sci & Chem Engn, Ames, IA 50011 USA. Iowa State Univ, US DOE, Dept Math, Ames, IA 50011 USA. Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. RP Thiel, PA (reprint author), Iowa State Univ, US DOE, Dept Mat Sci & Chem Engn, Ames, IA 50011 USA. RI Shen, Mingmin/A-9293-2012 FU NSF Grant [CHE-0809472]; Division of Chemical Sciences, BES; U.S. Department of Energy (USDOE).; USDOE by Iowa State University [DE-AC02-07CHI 1358] FX II.A.T., M.S., and J.W.E. were supported for this work by NSF Grant CHE-0809472. DTL. was supported by the Division of Chemical Sciences, BES, U.S. Department of Energy (USDOE). The work was performed at Ames Laboratory which is operated for the USDOE by Iowa State University under Contract No. DE-AC02-07CHI 1358. NR 115 TC 53 Z9 55 U1 6 U2 60 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 2 PY 2009 VL 113 IS 13 BP 5047 EP 5067 DI 10.1021/jp8063849 PG 21 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 424TT UT WOS:000264591900006 ER PT J AU Collins, CA Stott, JP Hilton, M Kay, ST Stanford, SA Davidson, M Hosmer, M Hoyle, B Liddle, A Lloyd-Davies, E Mann, RG Mehrtens, N Miller, CJ Nichol, RC Romer, AK Sahlen, M Viana, PTP West, MJ AF Collins, Chris A. Stott, John P. Hilton, Matt Kay, Scott T. Stanford, S. Adam Davidson, Michael Hosmer, Mark Hoyle, Ben Liddle, Andrew Lloyd-Davies, Ed Mann, Robert G. Mehrtens, Nicola Miller, Christopher J. Nichol, Robert C. Romer, A. Kathy Sahlen, Martin Viana, Pedro T. P. West, Michael J. TI Early assembly of the most massive galaxies SO NATURE LA English DT Article ID BRIGHTEST CLUSTER GALAXIES; LUMINOUS RED GALAXIES; EVOLUTION; XMM; DISCOVERY; STELLAR; Z=1.26 AB The current consensus is that galaxies begin as small density fluctuations in the early Universe and grow by in situ star formation and hierarchical merging(1). Stars begin to form relatively quickly in sub-galactic-sized building blocks called haloes which are subsequently assembled into galaxies. However, exactly when this assembly takes place is a matter of some debate(2,3). Here we report that the stellar masses of brightest cluster galaxies, which are the most luminous objects emitting stellar light, some 9 billion years ago are not significantly different from their stellar masses today. Brightest cluster galaxies are almost fully assembled 425 billion years after the Big Bang, having grown to more than 90 per cent of their final stellar mass by this time. Our data conflict with the most recent galaxy formation models(4,5) based on the largest simulations of dark-matter halo development(1). These models predict protracted formation of brightest cluster galaxies over a Hubble time, with only 22 per cent of the stellar mass assembled at the epoch probed by our sample. Our findings suggest a new picture in which brightest cluster galaxies experience an early period of rapid growth rather than prolonged hierarchical assembly. C1 [Collins, Chris A.; Stott, John P.; Hilton, Matt] Liverpool John Moores Univ, Astrophys Res Inst, Birkenhead CH41 1LD, Merseyside, England. [Hilton, Matt] Univ KwaZulu Natal, Sch Math Sci, Astrophys & Cosmol Res Unit, ZA-4000 Durban, South Africa. [Hilton, Matt] S African Astron Observ, ZA-7935 Cape Town, South Africa. [Kay, Scott T.] Univ Manchester, Sch Phys & Astron, Jodrell Bank, Ctr Astrophys, Manchester M13 9PL, Lancs, England. [Stanford, S. Adam] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Stanford, S. Adam] Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94551 USA. [Davidson, Michael; Mann, Robert G.] Univ Edinburgh, Royal Observ, Inst Astron, SUPA, Edinburgh EH9 3HJ, Midlothian, Scotland. [Hosmer, Mark; Liddle, Andrew; Lloyd-Davies, Ed; Mehrtens, Nicola; Romer, A. Kathy; Sahlen, Martin] Univ Sussex, Ctr Astron, Brighton BN1 9QH, E Sussex, England. [Hoyle, Ben; Nichol, Robert C.] Univ Portsmouth, ICG, Portsmouth PO1 2EG, Hants, England. [Miller, Christopher J.] Natl Opt Astron Observ, Cerro Tololo Inter Amer Observ, Tucson, AZ 85719 USA. [Viana, Pedro T. P.] Univ Porto, Fac Ciencias, Dept Matemat Aplicada, P-4169007 Oporto, Portugal. [Viana, Pedro T. P.] Univ Porto, Ctr Astrofis, P-4150762 Oporto, Portugal. [West, Michael J.] European So Observ, Santiago 19001, Chile. RP Collins, CA (reprint author), Liverpool John Moores Univ, Astrophys Res Inst, 12 Quays House, Birkenhead CH41 1LD, Merseyside, England. EM cac@astro.livjm.ac.uk RI Sahlen, Martin/C-6308-2008; OI hoyle, ben/0000-0002-2571-1357; Viana, Pedro/0000-0003-1572-8531; Sahlen, Martin/0000-0003-0973-4804; Stott, John/0000-0002-1679-9983 FU NASA; Liverpool John Moores University; STFC; South African National Research Foundation; Research in Astronomy, Inc. FX This work is based in part on data collected at the Subaru Telescope, which is operated by the National Astronomical Observatory of Japan and the XMM- Newton, an ESA science mission funded by contributions from ESA member states and from NASA. We acknowledge financial support from Liverpool John Moores University and the STFC. M. H. acknowledges support from the South African National Research Foundation. IRAF is distributed by the National Optical Astronomy Observatories, which are operated by the Association of Universities for Research in Astronomy, Inc., under cooperative agreement with the National Science Foundation. We thank G. De Lucia for making simulation results available to us in tabular form, I. Tanaka for developing the MCSRED package used to reduce the MOIRCS data, M. Salaris for discussions on stellar population synthesis models and B. Maughan for discussions on cluster masses. NR 30 TC 88 Z9 88 U1 1 U2 6 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD APR 2 PY 2009 VL 458 IS 7238 BP 603 EP 606 DI 10.1038/nature07865 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 427RK UT WOS:000264796200034 PM 19340075 ER PT J AU Koralek, JD Weber, CP Orenstein, J Bernevig, BA Zhang, SC Mack, S Awschalom, DD AF Koralek, J. D. Weber, C. P. Orenstein, J. Bernevig, B. A. Zhang, Shou-Cheng Mack, S. Awschalom, D. D. TI Emergence of the persistent spin helix in semiconductor quantum wells SO NATURE LA English DT Article ID GRATINGS AB According to Noether's theorem(1), for every symmetry in nature there is a corresponding conservation law. For example, invariance with respect to spatial translation corresponds to conservation of momentum. In another well-known example, invariance with respect to rotation of the electron's spin, or SU(2) symmetry, leads to conservation of spin polarization. For electrons in a solid, this symmetry is ordinarily broken by spin-orbit coupling, allowing spin angular momentum to flow to orbital angular momentum. However, it has recently been predicted that SU(2) can be achieved in a two-dimensional electron gas, despite the presence of spin-orbit coupling(2). The corresponding conserved quantities include the amplitude and phase of a helical spin density wave termed the 'persistent spin helix'(2). SU(2) is realized, in principle, when the strengths of two dominant spin-orbit interactions, the Rashba(3) (strength parameterized by alpha) and linear Dresselhaus(4) (beta(1)) interactions, are equal. This symmetry is predicted to be robust against all forms of spin-independent scattering, including electron-electron interactions, but is broken by the cubic Dresselhaus term (beta(3)) and spin-dependent scattering. When these terms are negligible, the distance over which spin information can propagate is predicted to diverge as alpha approaches beta(1). Here we report experimental observation of the emergence of the persistent spin helix in GaAs quantum wells by independently tuning alpha and beta(1). Using transient spin-grating spectroscopy(5), we find a spin-lifetime enhancement of two orders of magnitude near the symmetry point. Excellent quantitative agreement with theory across a wide range of sample parameters allows us to obtain an absolute measure of all relevant spin-orbit terms, identifying beta(3) as the main SU(2)violating term in our samples. The tunable suppression of spin relaxation demonstrated in this work is well suited for application to spintronics(6,7). C1 [Koralek, J. D.; Weber, C. P.; Orenstein, J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Weber, C. P.] Santa Clara Univ, Dept Phys, Santa Clara, CA 95053 USA. [Orenstein, J.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Bernevig, B. A.] Princeton Univ, Princeton Ctr Theoret Sci, Princeton, NJ 08540 USA. [Zhang, Shou-Cheng] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Mack, S.; Awschalom, D. D.] Univ Calif Santa Barbara, Ctr Spintron & Quantum Computat, Santa Barbara, CA 93106 USA. RP Koralek, JD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM jdkoralek@lbl.gov RI Zhang, Shou-Cheng/B-2794-2010; Mack, Shawn/F-4008-2011; Orenstein, Joseph/I-3451-2015 OI Mack, Shawn/0000-0001-6696-0483; FU US Department of Energy, Office of Basic Energy Science, Materials Science and Engineering Division; US National Science Foundation and Office of Naval Research FX Work performed at Lawrence Berkeley National Laboratory and Stanford University was supported by the US Department of Energy, Office of Basic Energy Science, Materials Science and Engineering Division, and at the University of California, Santa Barbara by the US National Science Foundation and Office of Naval Research. S. M. acknowledges partial support through the National Defense Science and Engineering Graduate Fellowship Program. We thank J. Stephens and J. Krich for discussions, G. Fleming for use of a phase-mask array, and K. Bruns for creating the PSH diagram of Fig. 1c. NR 27 TC 239 Z9 239 U1 9 U2 83 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 EI 1476-4687 J9 NATURE JI Nature PD APR 2 PY 2009 VL 458 IS 7238 BP 610 EP U73 DI 10.1038/nature07871 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 427RK UT WOS:000264796200036 PM 19340077 ER PT J AU Yotphan, S Bergman, RG Ellman, JA AF Yotphan, Sirilata Bergman, Robert G. Ellman, Jonathan A. TI Application of Daugulis Copper-Catalyzed Direct Arylation to the Synthesis of 5-Aryl Benzotriazepines SO ORGANIC LETTERS LA English DT Article ID H BOND ACTIVATION; ANTAGONISTS; POTENT; FUNCTIONALIZATION; ALKENYLATION; QUINOLINES; INHIBITORS; DISCOVERY; PYRIDINES AB A method for the direct arylation of benzotriazepines is reported, employing an aryl iodide as the coupling partner, copper iodide as the catalyst, and lithium tert-butoxide as the base. A variety of electron-rich, electron-poor, and sterically hindered aryl iodides are compatible with the reaction conditions. The arylation reaction can also be performed outside a glovebox in air without a significant decrease in yield. Furthermore, convenient microwave conditions for carrying out this transformation are reported. C1 [Bergman, Robert G.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Bergman, RG (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM rbergman@berkeley.edu; jellman@berkeley.edu RI Ellman, Jonathan/C-7732-2013 FU NIH [GM069559]; Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division, U.S. Department of Energy [AC02-05CH11231] FX 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, U.S. Department of Energy under contract DE-AC02-05CH11231 (to R.G.B.). We thank Dr. Ashley M. Berman (University of California Berkeley) for helpful discussions. NR 24 TC 64 Z9 64 U1 1 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1523-7060 J9 ORG LETT JI Org. Lett. PD APR 2 PY 2009 VL 11 IS 7 BP 1511 EP 1514 DI 10.1021/ol900103a PG 4 WC Chemistry, Organic SC Chemistry GA 425FO UT WOS:000264622600013 PM 19260648 ER PT J AU Park, J Kwon, S Jun, SI Ivanov, IN Cao, JB Musfeldt, JL Rack, PD AF Park, Jungwon Kwon, Seyeoul Jun, Seung-Ik Ivanov, Ilia N. Cao, Jinbo Musfeldt, Janice L. Rack, Philip D. TI Stress induced crystallization of hydrogenated amorphous silicon SO THIN SOLID FILMS LA English DT Article DE Crystallization; Silicon; Thin film stress; Stress-induced crystallization; X-ray diffraction; Raman spectroscopy ID ALUMINUM-INDUCED CRYSTALLIZATION; CHEMICAL-VAPOR-DEPOSITION; THIN-FILM TRANSISTORS; MECHANICAL-STRESS; NITRIDE FILMS; PLASMA; TEMPERATURE; NUCLEATION; SIO2 AB Hydrogenated amorphous silicon films were grown on to thermally oxidized silicon wafers by Radio Frequency magnetron sputtering, and SiNx and Al2O3 capping layers were used to control the residual thermal stress. After annealing, a comparison of the silicon films with and without capping layers indicates that tensile stress induced by the capping layer enhances the crystallinity of the annealed amorphous silicon film. The stress is due to the mismatch between the coefficients of thermal expansion for the capping layer and amorphous silicon film. These results highlight the potential of thermal stress as a means to alter the crystallization in thin film architectures and suggest that even larger effects can be obtained with suitable choices of capping layer chemistry. (C) 2008 Elsevier B.V. All rights reserved. C1 [Cao, Jinbo; Musfeldt, Janice L.; Rack, Philip D.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Jun, Seung-Ik] DpiX LLC, Colorado Springs Div, Colorado Springs, CO 80916 USA. [Ivanov, Ilia N.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Rack, PD (reprint author), Univ Tennessee, Dept Chem, 434 Dougherty Hall, Knoxville, TN 37996 USA. EM prack@utk.edu RI Cao, Jinbo/C-7537-2009; ivanov, ilia/D-3402-2015; OI ivanov, ilia/0000-0002-6726-2502; Rack, Philip/0000-0002-9964-3254 FU NSF [0729250]; NSF Division of Chemical, Bioengineering, Environmental, and Transport Systems; U.S. Department of Energy [DE-FG02-01ER45885] FX PDR, JP, SK, would like to acknowledge support from NSF Award #0729250 from the NSF Division of Chemical, Bioengineering, Environmental, and Transport Systems. The authors would like to acknowledge a portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Division of Scientific User Facilities, U.S. Department of Energy. JLM would like to acknowledge the Materials Science Division, Basic Energy Sciences, U.S. Department of Energy (DE-FG02-01ER45885). NR 34 TC 13 Z9 14 U1 1 U2 15 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD APR 2 PY 2009 VL 517 IS 11 SI SI BP 3222 EP 3226 DI 10.1016/j.tsf.2008.10.114 PG 5 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 437HR UT WOS:000265478000007 ER PT J AU Moore, EG Samuel, APS Raymond, KN AF Moore, Evan G. Samuel, Amanda P. S. Raymond, Kenneth N. TI From Antenna to Assay: Lessons Learned in Lanthanide Luminescence SO ACCOUNTS OF CHEMICAL RESEARCH LA English DT Review ID EUROPIUM(III) IONS; WATER-MOLECULES; EXCITED-STATES; COMPLEXES; SENSITIZATION; EMISSION; PROBES; EU3+; TERBIUM(III); EXCITATION AB Ligand-sensitized, luminescent lanthanide(III) complexes are of considerable importance because their unique photophysical properties (microsecond to millisecond lifetimes, characteristic and narrow emission bands, and large Stokes shifts) make them well suited as labels in fluorescence-based bioassays. The long-lived emission of lanthanide(III) cations can be temporally resolved from scattered light and background fluorescence to vastly enhance measurement sensitivity, One challenge in this field is the design of sensitizing ligands that provide highly emissive complexes with sufficient stability and aqueous solubility for practical applications. In this Account we give an overview of some of the general properties of the trivalent lanthanides and follow with a summary of advances made in our laboratory in the development of highly luminescent Tb(III) and Eu(III) complexes for applications in biotechnology. A focus of our research has been the optimization of these compounds as potential commercial agents for use in homogeneous time-resolved fluorescence (HTRF) technology. Our approach involves developing high-stability octadentate Tb(III) and Eu(III) complexes that rely on all-oxygen donor atoms and using multichromophore chelates to increase molar absorptivity; earlier examples utilized a single pendant chromophore (that is, a single "antenna"). Ligands based on 2-hydroxyisophthalamide (IAM) provide exceptionally emissive Tb(III) complexes with quantum yield values up to similar to 60% that are stable at the nanomolar concentrations required for commercial assays. Through synthetic modification of the IAM chromophore and time-dependent density functional theory (TD-DFT) calculations, we have developed a method to predict absorption and emission properties of these chromophores as a tool to guide ligand design. Additionally, we have investigated chiral IAM ligands that yield Tb(III) complexes possessing both high quantum yield values and strong circularly polarized luminescence (CPL) activity. To efficiently sensitize Eu(III) emission, we have used the 1-hydroxypodin-2-one (1,2-HOPO) chelate to create remarkable ligands that combine excellent photophysical properties and exceptional aqueous stabilities. A more complete understanding of this chromophore has been achieved by combining low-temperature phosphorescence measurements with the same TD-DFT approach used with the IAM system. Eu(III) complexes with strong CPL activity have also been obtained with chiral 1,2-HOPO ligands. We have also undertaken kinetic analysis of radiative and nonradiative decay pathways for a series of Eu(III) complexes; the importance of the metal ion symmetry on the ensuing photophysical properties is dear. Lastly, we describe a Tb(III)-IAM compound-now carried through to commercial availability-that offers improved performance in the common HTRF platform and has the potential to vastly improve sensitivity. C1 [Raymond, Kenneth N.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. 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 FU NIH [HL69832]; 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-AC02-05CH17231]; University of California to Lumiphore, Inc FX This work was partially Supported by the NIH (Grant HL69832) and 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-AC02-05CH17231. This technology is licensed by the University of California to Lumiphore, Inc, in which some of the authors have a financial interest. NR 37 TC 423 Z9 426 U1 50 U2 349 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0001-4842 J9 ACCOUNTS CHEM RES JI Accounts Chem. Res. PD APR PY 2009 VL 42 IS 4 BP 542 EP 552 DI 10.1021/ar800211j PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 435ZO UT WOS:000265382600007 PM 19323456 ER PT J AU Vo, A Vakkalanka, S DeLisi, M Gopalakrishnan, G Kirby, RM Thakur, R AF Vo, Anh Vakkalanka, Sarvani DeLisi, Michael Gopalakrishnan, Ganesh Kirby, Robert M. Thakur, Rajeev TI Formal Verification of Practical MPI Programs SO ACM SIGPLAN NOTICES LA English DT Article DE Verification; MPI; Message Passing Interface; distributed programming; model checking; dynamic partial order reduction AB This paper considers the problem of formal verification of MPI programs operating under a fixed test harness for safety properties without building verification models. In our approach, we directly model-check the MPI/C source code, executing its interleavings with the help of a verification scheduler. Unfortunately, the total feasible number of interleavings is exponential, and impractical to examine even for our modest goals. Our earlier publications formalized and implemented a partial order reduction approach that avoided exploring equivalent interleavings, and presented a verification tool called ISP. This paper presents algorithmic and engineering innovations to ISP, including the use of OpenMP parallelization, that now enables it to handle practical MPI programs, including: (i) ParMETIS - a widely used hypergraph partitioner, and (ii) MADRE - a Memory Aware Data Re-distribution Engine, both developed outside our group. Over these benchmarks, ISP has automatically verified up to 14K lines of MPI/C code, producing error traces of deadlocks and assertion violations within seconds. C1 [Vo, Anh; Vakkalanka, Sarvani; DeLisi, Michael; Gopalakrishnan, Ganesh; Kirby, Robert M.] Univ Utah, Sch Comp, Salt Lake City, UT 84112 USA. [Thakur, Rajeev] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Vo, A (reprint author), Univ Utah, Sch Comp, Salt Lake City, UT 84112 USA. EM avo@cs.utah.edu; sarvani@cs.utah.edu; delisi@cs.utah.edu; ganesh@cs.utah.edu; kirby@cs.utah.edu; thakur@mcs.anl.gov FU Microsoft, and NSF CNS [0509379]; Office of Advanced Scientific Computing Research; Office of Science; U. S. Department of Energy [DE-AC02-06CH11357] FX Supported in part by Microsoft, and NSF CNS 0509379; This work was supported in part by the Office of Advanced Scientific Computing Research, Office of Science, U. S. Department of Energy, under Contract DE-AC02-06CH11357. NR 22 TC 8 Z9 8 U1 0 U2 2 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 0362-1340 EI 1558-1160 J9 ACM SIGPLAN NOTICES JI ACM Sigplan Not. PD APR PY 2009 VL 44 IS 4 BP 261 EP 269 PG 9 WC Computer Science, Software Engineering SC Computer Science GA 522QY UT WOS:000272014600029 ER PT J AU Scott, SL Engelmann, C Vallee, GR Naughton, T Tikotekar, A Ostrouchov, G Leangsuksun, C Naksinehaboon, N Nassar, R Paun, M Mueller, F Wang, C Nagarajan, AB Varma, J AF Scott, Stephen L. Engelmann, Christian Vallee, Geoffroy R. Naughton, Thomas Tikotekar, Anand Ostrouchov, George Leangsuksun, Chokchai (Box) Naksinehaboon, Nichamon Nassar, Raja Paun, Mihaela Mueller, Frank Wang, Chao Nagarajan, Arun B. Varma, Jyothish TI A Tunable Holistic Resiliency Approach for High-Performance Computing Systems SO ACM SIGPLAN NOTICES LA English DT Article DE Design; Measurement; Performance; Reliability AB In order to address anticipated high failure rates, resiliency characteristics have become an urgent priority for next-generation extreme-scale high-performance computing (HPC) systems. This poster describes our past and ongoing efforts in novel fault resilience technologies for HPC. Presented work includes proactive fault resilience techniques, system and application reliability models and analyses, failure prediction, transparent process- and virtual-machine-level migration, and trade-off models for combining preemptive migration with checkpoint/restart. This poster summarizes our work and puts all individual technologies into context with a proposed holistic fault resilience framework. C1 [Scott, Stephen L.; Engelmann, Christian; Vallee, Geoffroy R.; Naughton, Thomas; Tikotekar, Anand; Ostrouchov, George] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Leangsuksun, Chokchai (Box); Naksinehaboon, Nichamon; Nassar, Raja; Paun, Mihaela] Louisiana Tech Univ, Ruston, LA 71270 USA. [Mueller, Frank; Wang, Chao; Nagarajan, Arun B.; Varma, Jyothish] N Carolina State Univ, Raleigh, NC 27695 USA. RP Scott, SL (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM scottsl@ornl.gov; engelmannc@rnl.gov; valleegr@ornl.gov; naughtont@ornl.gov; tikotekaraa@ornl.gov; ostrouchovg@ornl.gov; box@latech.edu; nna003@latech.edu; nassar@latech.edu; mpaun@latech.edu; mueller@cs.ncsu.edu; wchao@ncsu.edu; abnagara@ncsu.edu; jvarma@secureworks.com RI Paun, Mihaela/C-3539-2011 OI Paun, Mihaela/0000-0002-3342-9140 FU Office of Advanced Scientific Computing Research; U. S. Department of Energy (DOE) [DE-FG02-08ER25836, DE-FG02-05ER25664, DE-FG02-08ER25837]; UT-Battelle, LLC [De-AC05-00OR22725]; U. S. National Science Foundation [CNS-0834483, CCR-0237570, CNS-0410203, CCF-0429653] FX This research was sponsored by the Office of Advanced Scientific Computing Research; U. S. Department of Energy (DOE). The work was performed in part at Oak Ridge National Laboratory, which is managed by UT-Battelle, LLC under Contract No. De-AC05-00OR22725. This work was also supported by U. S. National Science Foundation grants CNS-0834483, CCR-0237570 (CAREER), CNS-0410203, CCF-0429653 and U. S. DOE grants DE-FG02-08ER25836, DE-FG02-05ER25664 and DE-FG02-08ER25837. More details at: http://www.fastos.org/ras NR 6 TC 2 Z9 2 U1 0 U2 5 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 0362-1340 J9 ACM SIGPLAN NOTICES JI ACM Sigplan Not. PD APR PY 2009 VL 44 IS 4 BP 305 EP 306 PG 2 WC Computer Science, Software Engineering SC Computer Science GA 522QY UT WOS:000272014600042 ER PT J AU Dietrich, JA Yoshikuni, Y Fisher, KJ Woolard, FX Ockey, D McPhee, DJ Renninger, NS Chang, MCY Baker, D Keasling, JD AF Dietrich, Jeffrey A. Yoshikuni, Yasuo Fisher, Karl J. Woolard, Frank X. Ockey, Denise McPhee, Derek J. Renninger, Neil S. Chang, Michelle C. Y. Baker, David Keasling, Jay D. TI A Novel Semi-biosynthetic Route for Artemisinin Production Using Engineered Substrate-Promiscuous P450(BM3) SO ACS CHEMICAL BIOLOGY LA English DT Article ID ESCHERICHIA-COLI; DIHYDROARTEMISINIC ACID; ENZYME PROMISCUITY; MEVALONATE PATHWAY; IDENTIFICATION; BIOCATALYSIS; EPOXIDATION; TERPENOIDS; EVOLUTION; ANNUA AB Production of fine chemicals from heterologous pathways in microbial hosts is frequently hindered by insufficient knowledge of the native metabolic pathway and its cognate enzymes; often the pathway is unresolved, and the enzymes lack detailed characterization. An alternative paradigm to using native pathways is de novo pathway design using well-characterized, substrate-promiscuous enzymes. We demonstrate this concept using P450(BM3) from Bacillus megaterium. Using a computer model, we illustrate how key P450(BM3) active site mutations enable binding of the non-native substrate amorphadiene. Incorporating these mutations into P450(BM3) enabled the selective oxidation of amorphadiene artemisinic-11S,12-epoxide, at titers of 250 mg L-1 in E coli. We also demonstrate high-yielding, selective transformations to dihydroartemisinic acid, the immediate precursor to the high-value antimalarial drug artemisinin. C1 [Dietrich, Jeffrey A.; Yoshikuni, Yasuo; Keasling, Jay D.] Univ Calif Berkeley, UCSF UCB Joint Grad Grp Bioengn, Berkeley, CA 94720 USA. [Chang, Michelle C. Y.; Keasling, Jay D.] Univ Calif Berkeley, Calif Inst Quantitat Biomed Res QB3, Berkeley, CA 94720 USA. [Chang, Michelle C. Y.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Dietrich, Jeffrey A.; Yoshikuni, Yasuo; Chang, Michelle C. Y.; Keasling, Jay D.] Lawrence Berkeley Natl Lab, Synthet Biol Dept, Phys Biosci Div, Berkeley, CA 94710 USA. [Yoshikuni, Yasuo; Baker, David] Univ Washington, Dept Biochem, Seattle, WA 98195 USA. [Yoshikuni, Yasuo; Baker, David] Howard Hughes Med Inst, Seattle, WA 98195 USA. [Fisher, Karl J.; Woolard, Frank X.; Ockey, Denise; McPhee, Derek J.; Renninger, Neil S.] Amyris Biotechnol Inc, Emeryville, CA 94208 USA. [Keasling, Jay D.] Joint BioEnergy Inst, Emeryville, CA 94208 USA. RP Keasling, JD (reprint author), Univ Calif Berkeley, UCSF UCB Joint Grad Grp Bioengn, Berkeley, CA 94720 USA. EM keasling@berkeley.edu RI Keasling, Jay/J-9162-2012; Baker, David/K-8941-2012 OI Keasling, Jay/0000-0003-4170-6088; Baker, David/0000-0001-7896-6217 NR 36 TC 96 Z9 105 U1 5 U2 49 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1554-8929 J9 ACS CHEM BIOL JI ACS Chem. Biol. PD APR PY 2009 VL 4 IS 4 BP 261 EP 267 DI 10.1021/cb900006h PG 7 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 436VM UT WOS:000265444200005 PM 19271725 ER PT J AU Wang, DH Choi, DW Li, J Yang, ZG Nie, ZM Kou, R Hu, DH Wang, CM Saraf, LV Zhang, JG Aksay, IA Liu, J AF Wang, Donghai Choi, Daiwon Li, Juan Yang, Zhenguo Nie, Zimin Kou, Rong Hu, Dehong Wang, Chongmin Saraf, Laxmikant V. Zhang, Jiguang Aksay, Ilhan A. Liu, Jun TI Self-Assembled TiO2-Graphene Hybrid Nanostructures for Enhanced Li-Ion Insertion SO ACS NANO LA English DT Article DE graphene; metal oxide; hybrid nanostructure; Li-ion; battery ID CARBON NANOTUBES; FUNCTIONALIZED GRAPHENE; LITHIUM BATTERIES; GRAPHITE OXIDE; TIO2 ANATASE; RUTILE TIO2; ELECTROCHEMICAL PERFORMANCE; ELECTRODE PERFORMANCE; TEMPERATURE SYNTHESIS; COMPOSITE ELECTRODES AB We used anionic sulfate surfactants to assist the stabilization of graphene in aqueous solutions and facilitate the self-assembly of in situ grown nanocrystalline TiO2, rutile and anatase, with graphene. These nanostructured TiO2-graphene hybrid materials were used for investigation of Li-ion insertion properties. The hybrid materials showed significantly enhanced Li-ion insertion/extraction in TiO2. The specific capacity was more than doubled at high charge rates, as compared with the pure TiO2 phase. The improved capacity at high charge-discharge rate may be attributed to increased electrode conductivity in the presence of a percolated graphene network embedded into the metal oxide electrodes. C1 [Aksay, Ilhan A.] Princeton Univ, Dept Chem Engn, Princeton, NJ 08544 USA. [Wang, Donghai; Choi, Daiwon; Li, Juan; Yang, Zhenguo; Nie, Zimin; Kou, Rong; Hu, Dehong; Wang, Chongmin; Saraf, Laxmikant V.; Zhang, Jiguang; Liu, Jun] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Aksay, IA (reprint author), Princeton Univ, Dept Chem Engn, Princeton, NJ 08544 USA. EM iaksay@princeton.edu; jun.liu@pnl.gov RI Choi, Daiwon/B-6593-2008; Aksay, Ilhan/B-9281-2008; Hu, Dehong/B-4650-2010; Wang, Donghai/L-1150-2013; Wei, Zhanhua/D-7544-2013 OI Hu, Dehong/0000-0002-3974-2963; Wang, Donghai/0000-0001-7261-8510; Wei, Zhanhua/0000-0003-2687-0293 FU Battelle Memorial Institute for the Department of Energy [DE-AC05-76RL01830]; DARPA and ARO/MURI [W911NF-04-1-0170] FX The work is supported by LaboratoryDirected Research and Development Program (LDRD) of the Pacific Northwest National Laboratory (PNNL) and by the Office of Basic Energy Sciences (BES), U.S. Department of Energy (DOE). TEM investigation was performed in the EMSL, 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. PNNL is a multiprogram laboratory operated by Battelle Memorial Institute for the Department of Energy under Contract DE-AC05-76RL01830. IAA acknowledges support from DARPA and ARO/MURI under grant number W911NF-04-1-0170. We thank Michael C. Perkins for the graphics. NR 50 TC 1130 Z9 1158 U1 146 U2 1414 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 APR PY 2009 VL 3 IS 4 BP 907 EP 914 DI 10.1021/nn900150y PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 439HR UT WOS:000265618700023 PM 19323486 ER PT J AU Orendorff, CJ Alam, TM Sasaki, DY Bunker, BC Voigt, JA AF Orendorff, Christopher J. Alam, Todd M. Sasaki, Darryl Y. Bunker, Bruce C. Voigt, James A. TI Phospholipid-Gold Nanorod Composites SO ACS NANO LA English DT Article DE gold nanorods; lipid bilayer; surface modification; self-assembly; nanocomposites ID ASPECT-RATIO; AU NANORODS; NANOPARTICLES; SURFACE; MONOLAYERS; NMR; SPECTROSCOPY; PHOSPHATIDYLCHOLINE; BILAYER; PHOSPHATIDYLETHANOLAMINE AB Phospholipids comprise an enormous range of chemical structures that provide much of the functionality associated with cellular membranes. We have developed a simple method for incorporating phospholipids onto the surfaces of anisotropic gold nanorods as a stepping-stone for creating responsive and multifunctional nanocomposites. In this report, we demonstrate how phospholipids can be used to control the self-assembly of gold nanorods into agglomerate architectures ranging from open "end-to-end" networks to densely packed "side-to-side" arrays. The results indicate that lipid-gold nanorod assembly is governed by the tuning of electrostatic interactions within the phospholipid layers as well as by how the phospholipid layers organize themselves around anisotropic nanorod surfaces. C1 [Orendorff, Christopher J.; Alam, Todd M.; Sasaki, Darryl Y.; Bunker, Bruce C.; Voigt, James A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Orendorff, CJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM corendo@sandia.gov FU Department of Energy's Office of Basic Science; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors gratefully acknowledge the Department of Energy's Office of Basic Science for support of this work, and N.S. Bell for the use of the Malvern Zetasizer zeta-potential analyzer. 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 No. DE-AC04-94AL85000. NR 63 TC 72 Z9 73 U1 7 U2 61 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 APR PY 2009 VL 3 IS 4 BP 971 EP 983 DI 10.1021/nn900037k PG 13 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 439HR UT WOS:000265618700030 PM 19317440 ER PT J AU Doebbler, JA Von Dreele, RB AF Doebbler, Jennifer A. Von Dreele, Robert B. TI Application of molecular replacement to protein powder data from image plates SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID EGG-WHITE LYSOZYME; CRYSTAL-STRUCTURE; DIFFRACTION DATA; 3-DIMENSIONAL STRUCTURE; ALPHA-LACTALBUMIN; MILK LYSOZYME; RESOLUTION; REFINEMENT; BINDING; RIETVELD AB Macromolecular structures can be solved via molecular replacement from powder diffraction data collected not only on multi-analyzer diffractometers but also on image plates. Diffraction peaks recorded on image plates are generally broader than those collected using an array of crystal analyzer detectors, but the image-plate data often allow the use of powder data to lower d-spacings. Owing to the high incidence of overlaps in powder patterns, which is especially evident for larger structures, a multi-pattern Pawley refinement is necessary in order to distinguish intensity peaks. This work utilized various salt concentrations to produce small lattice distortions, which resulted in shifts of Bragg peak positions, in a suite of five powder patterns. Using reflection structure factors obtained from this combined refinement, the structure of hen egg-white lysozyme was determined by molecular replacement using the 60% identical human lysozyme (PDB code 1lz1) as the search model. This work also expands upon previous work by presenting a full-scale multi-species analysis combined with an investigation of the sensitivity with regard to discrimination between incorrect fold types. To test the limits of this technique, extension to higher molecular-weight structures is ongoing. C1 [Doebbler, Jennifer A.; Von Dreele, Robert B.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Von Dreele, RB (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM vondreele@anl.gov FU US Department of Energy; Office of Science; Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The authors would like to thank Peter Lee for help with the data collection and Bob Blessing for fruitful conversations. Use of the APS was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under contract No. DE-AC02-06CH11357. NR 42 TC 3 Z9 3 U1 0 U2 1 PU WILEY-BLACKWELL PUBLISHING, INC 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 APR PY 2009 VL 65 BP 348 EP 355 DI 10.1107/S0907444909003783 PG 8 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 421LX UT WOS:000264361500006 PM 19307716 ER PT J AU Zheng, MY Cooper, DR Grossoehme, NE Yu, MM Hung, LW Cieslik, M Derewenda, U Lesley, SA Wilson, IA Giedroc, DP Derewenda, ZS AF Zheng, Meiying Cooper, David R. Grossoehme, Nickolas E. Yu, Minmin Hung, Li-Wei Cieslik, Marcin Derewenda, Urszula Lesley, Scott A. Wilson, Ian A. Giedroc, David P. Derewenda, Zygmunt S. TI Structure of Thermotoga maritima TM0439: implications for the mechanism of bacterial GntR transcription regulators with Zn2+-binding FCD domains SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID RATIONAL PROTEIN CRYSTALLIZATION; FATTY-ACID METABOLISM; ESCHERICHIA-COLI; MACROMOLECULAR STRUCTURES; METAL-IONS; FADR; REFINEMENT; HISTIDINE; FAMILY; CARBOXYLATE AB The GntR superfamily of dimeric transcription factors, with more than 6200 members encoded in bacterial genomes, are characterized by N-terminal winged-helix DNA-binding domains and diverse C-terminal regulatory domains which provide a basis for the classification of the constituent families. The largest of these families, FadR, contains nearly 3000 proteins with all-alpha-helical regulatory domains classified into two related Pfam families: FadR_C and FCD. Only two crystal structures of FadR-family members, those of Escherichia coli FadR protein and LldR from Corynebacterium glutamicum, have been described to date in the literature. Here, the crystal structure of TM0439, a GntR regulator with an FCD domain found in the Thermotoga maritima genome, is described. The FCD domain is similar to that of the LldR regulator and contains a buried metal-binding site. Using atomic absorption spectroscopy and Trp fluorescence, it is shown that the recombinant protein contains bound Ni2+ ions but that it is able to bind Zn2+ with K-d < 70 nM. It is concluded that Zn2+ is the likely physiological metal and that it may perform either structural or regulatory roles or both. Finally, the TM0439 structure is compared with two other FadR-family structures recently deposited by structural genomics consortia. The results call for a revision in the classification of the FadR family of transcription factors. C1 [Zheng, Meiying; Cooper, David R.; Cieslik, Marcin; Derewenda, Urszula; Derewenda, Zygmunt S.] Univ Virginia, Dept Mol Physiol & Biol Phys, Integrated Ctr Struct Funct Innovat, Charlottesville, VA 22908 USA. [Grossoehme, Nickolas E.; Giedroc, David P.] Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. [Yu, Minmin; Hung, Li-Wei] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Hung, Li-Wei] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. [Lesley, Scott A.; Wilson, Ian A.] Scripps Res Inst, La Jolla, CA 92037 USA. [Lesley, Scott A.] Novartis Res Fdn, Genom Inst, San Diego, CA 92121 USA. RP Derewenda, ZS (reprint author), Univ Virginia, Dept Mol Physiol & Biol Phys, Integrated Ctr Struct Funct Innovat, Charlottesville, VA 22908 USA. EM zsd4n@virginia.edu OI Hung, Li-Wei/0000-0001-6690-8458 FU NIH NIGMS [U54 GM074946-01US, U54 GM074898, R01 GM042569]; US Department of Energy [DE-AC0205CH11231] FX This study was supported by NIH NIGMS grants U54 GM074946-01US (ISFI), U54 GM074898 (JCSG) and R01 GM042569 ( to DPG). The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institute of General Medical Sciences or the National Institutes of Health. The authors would like to thank the staff at BL 5.0.2 managed by the Berkeley Center for Structural Biology (BCSB) at the Advanced Light Source (ALS) for technical support. The BCSB is supported in part by the National Institutes of Health, National Institute of General Medical Sciences. 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-AC0205CH11231. NR 41 TC 7 Z9 7 U1 0 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 APR PY 2009 VL 65 BP 356 EP 365 DI 10.1107/S0907444909004727 PN 4 PG 10 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 421LX UT WOS:000264361500007 PM 19307717 ER PT J AU Stern, EA Yacoby, Y Seidler, GT Nagle, KP Prange, MP Sorini, AP Rehr, JJ Joachimiak, A AF Stern, Edward A. Yacoby, Yizhak Seidler, Gerald T. Nagle, Kenneth P. Prange, Micah P. Sorini, Adam P. Rehr, John J. Joachimiak, Andrzej TI Reducing radiation damage in macromolecular crystals at synchrotron sources SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID PROTEIN CRYSTALS; DATA-COLLECTION; CRYOCRYSTALLOGRAPHY; BEAM; DIFFRACTION; HELIUM AB A new strategy is presented to reduce primary X-ray damage in macromolecular crystallography. The strategy is based on separating the diffracting and damaged regions as much as feasible. The source of the radiation damage to macromolecular crystals is from two primary mechanisms: the direct excitations of electrons by absorption, and inelastic scattering of the X-rays. The first produces photoelectrons with their accompanying Auger electrons from relaxation of the core hole and the second creates Compton electrons. The properties of these two mechanisms and calculations of primary X-ray damage quantify how to modify the spatial distribution of X-rays to reduce the deleterious effects of radiation damage. By focusing the incident X-rays into vertical stripes, it is estimated that the survival (the time during which quality diffraction data can be obtained with a given X-ray flux) of large crystals can be increased by at least a factor of 1.6, while for very small platelet crystals the survival can be increased by up to a factor of 14. C1 [Stern, Edward A.; Seidler, Gerald T.; Nagle, Kenneth P.; Prange, Micah P.; Sorini, Adam P.; Rehr, John J.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Yacoby, Yizhak] Hebrew Univ Jerusalem, Racah Inst Phys, IL-91904 Jerusalem, Israel. [Joachimiak, Andrzej] Argonne Natl Lab, Ctr Mechanist Biol & Biotechnol, Argonne, IL 60439 USA. RP Stern, EA (reprint author), Univ Washington, Dept Phys, Seattle, WA 98195 USA. EM stern@phys.washington.edu RI Seidler, Gerald/I-6974-2012 FU NSF [0650547]; US Department of Energy, Office of Biological and Environmental Research [DE-AC02-06CH11357] FX We gratefully acknowledge the support of NSF grant No. 0650547 (EAS) for this research and the US Department of Energy, Office of Biological and Environmental Research under contract DE-AC02-06CH11357 (AJ). EAS is grateful to Dr Robert Fischetti for a discussion that inspired the writing of this publication. NR 32 TC 13 Z9 13 U1 0 U2 8 PU WILEY-BLACKWELL PUBLISHING, INC 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 APR PY 2009 VL 65 BP 366 EP 374 DI 10.1107/S090744490900540X PG 9 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 421LX UT WOS:000264361500008 PM 19307718 ER PT J AU Allaire, M Moiseeva, N Botez, CE Engel, MA Stephens, PW AF Allaire, Marc Moiseeva, Natalia Botez, Cristian E. Engel, Matthew A. Stephens, Peter W. TI On the possibility of using polycrystalline material in the development of structure-based generic assays SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID PROTEIN CRYSTAL-STRUCTURE; POWDER-DIFFRACTION DATA; N-ACETYLGLUCOSAMINE; LYSOZYME; REFINEMENT; RESOLUTION; BINDING; MACROMOLECULES; RIETVELD AB The discovery of ligands that bind specifically to a targeted protein benefits from the development of generic assays for high-throughput screening of a library of chemicals. Protein powder diffraction (PPD) has been proposed as a potential method for use as a structure-based assay for high-throughput screening applications. Building on this effort, powder samples of bound/unbound states of soluble hen-egg white lysozyme precipitated with sodium chloride were compared. The correlation coefficients calculated between the raw diffraction profiles were consistent with the known binding properties of the ligands and suggested that the PPD approach can be used even prior to a full description using stereochemically restrained Rietveld refinement. C1 [Allaire, Marc; Moiseeva, Natalia; Engel, Matthew A.; Stephens, Peter W.] Brookhaven Natl Lab, Natl Synchrotron Light Source Dept, Upton, NY 11973 USA. [Botez, Cristian E.; Stephens, Peter W.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Engel, Matthew A.] SUNY Stony Brook, Dept Biomed Engn, Stony Brook, NY 11794 USA. RP Allaire, M (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source Dept, Upton, NY 11973 USA. EM allaire@bnl.gov FU Brookhaven National Laboratory/Laboratory Directed Research and Development Program; National Institutes of Health/National Institute of General Medical Sciences [Y1 GM-0080-03]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX This work was supported by the Brookhaven National Laboratory/Laboratory Directed Research and Development Program and the National Institutes of Health/National Institute of General Medical Sciences under agreement Y1 GM-0080-03. Use of the National Synchrotron Light Source, Brookhaven National Laboratory was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-98CH10886. NR 15 TC 2 Z9 2 U1 0 U2 0 PU WILEY-BLACKWELL PUBLISHING, INC 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 APR PY 2009 VL 65 BP 379 EP 382 DI 10.1107/S090744490900256X PG 4 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 421LX UT WOS:000264361500010 PM 19307720 ER PT J AU Dunten, PW Little, EJ Horton, NC AF Dunten, Pete W. Little, Elizabeth J. Horton, Nancy C. TI The restriction enzyme SgrAI: structure solution via combination of poor MIRAS and MR phases SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID CRYSTAL-STRUCTURE; ELECTRON-DENSITY; ENDONUCLEASE; DNA; SOFTWARE; RECOGNITION; SEQUENCE AB Uninterpretable electron-density maps were obtained using either MIRAS phases or MR phases in attempts to determine the structure of the type II restriction endonuclease SgrAI bound to DNA. While neither solution strategy was particularly promising (map correlation coefficients of 0.29 and 0.22 with the final model, respectively, for the MIRAS and MR phases and Phaser Z scores of 4.0 and 4.3 for the rotation and translation searches), phase combination followed by density modification gave a readily interpretable map. MR with a distantly related model located a dimer in the asymmetric unit and provided the correct transformation to use in averaging electron density between SgrAI subunits. MIRAS data sets with low substitution and MR solutions from only distantly related models should not be ignored, as poor-quality starting phases can be significantly improved. The bootstrapping strategy employed to improve the initial MIRAS phases is described. C1 [Dunten, Pete W.] Stanford Univ, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. [Little, Elizabeth J.; Horton, Nancy C.] Univ Arizona, Dept Biochem & Mol Biophys, Tucson, AZ 85721 USA. RP Dunten, PW (reprint author), Stanford Univ, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. EM pete@slac.stanford.edu RI Horton, Nancy/E-7881-2011 OI Horton, Nancy/0000-0003-2710-8284 FU National Center for Research Resources ( NCRR) [5P41RR001209]; National Institutes of Health ( NIH) [5R01GM066805] FX 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. The projects described were partially supported by grant No. 5P41RR001209 from the National Center for Research Resources ( NCRR), a component of the National Institutes of Health ( NIH), and the contents are solely the responsibility of the authors and do not necessarily represent the official view of NCRR or NIH. This work was also supported by National Institutes of Health grant No. 5R01GM066805 ( to NCH). NR 26 TC 0 Z9 0 U1 0 U2 1 PU WILEY-BLACKWELL PUBLISHING, INC 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 APR PY 2009 VL 65 BP 393 EP 398 DI 10.1107/S0907444909003266 PG 6 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 421LX UT WOS:000264361500013 PM 19307723 ER PT J AU Lee, J Kim, SH AF Lee, Jonas Kim, Sung-Hou TI PDB Editor: a user-friendly Java-based Protein Data Bank file editor with a GUI SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID MODEL AB The Protein Data Bank file format is the format most widely used by protein crystallographers and biologists to disseminate and manipulate protein structures. Despite this, there are few user-friendly software packages available to efficiently edit and extract raw information from PDB files. This limitation often leads to many protein crystallographers wasting significant time manually editing PDB files. PDB Editor, written in Java Swing GUI, allows the user to selectively search, select, extract and edit information in parallel. Furthermore, the program is a stand-alone application written in Java which frees users from the hassles associated with platform/operating system-dependent installation and usage. PDB Editor can be downloaded from http://sourceforge.net/projects/pdbeditorjl/. C1 [Lee, Jonas; Kim, Sung-Hou] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Lee, Jonas; Kim, Sung-Hou] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Kim, SH (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM shkim@cchem.berkeley.edu NR 9 TC 0 Z9 0 U1 0 U2 0 PU WILEY-BLACKWELL PUBLISHING, INC 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 APR PY 2009 VL 65 BP 399 EP 402 DI 10.1107/S090744490900451X PG 4 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 421LX UT WOS:000264361500014 PM 19307724 ER PT J AU Misra, S Miller, GJ AF Misra, Sumohan Miller, Gordon J. TI Gadolinium scandium germanide, Gd2Sc3Ge4 SO ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE LA English DT Article ID DISTANCES AB Gd2Sc3Ge4 adopts the orthorhombic Pu5Rh4-type structure. The crystal structure contains six sites in the asymmetric unit: two sites are statistically occupied by rare-earth atoms with Gd:Sc ratios of 0.967 (4):0.033 (4) and 0.031 (3):0.969 (3), one site (.m. symmetry) is occupied by Sc atoms, and three distinct sites (two of which with. m. symmetry) are occupied by Ge atoms. The rare-earth atoms form two-dimensional slabs with Ge atoms occupying the trigonal-prismatic voids. C1 [Miller, Gordon J.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Miller, GJ (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM gmiller@iastate.edu FU Ames Laboratory; US Department of Energy by Iowa State University [DE-AC02-07CH11358]; Materials Sciences Divison of the Office of Basic Energy Sciences of the US Department of Energy FX This work was carried out at the Ames Laboratory, which is operated for the US Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. This work was supported by the Materials Sciences Divison of the Office of Basic Energy Sciences of the US Department of Energy. NR 10 TC 3 Z9 3 U1 1 U2 4 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1600-5368 J9 ACTA CRYSTALLOGR E JI Acta Crystallogr. Sect. E.-Struct Rep. Online PD APR PY 2009 VL 65 BP I25 EP U128 DI 10.1107/S1600536809007211 PN 4 PG 12 WC Crystallography SC Crystallography GA 427SD UT WOS:000264798500003 PM 21582308 ER PT J AU Jeffries, JR Blobaum, KJM Wall, MA Schwartz, AJ AF Jeffries, J. R. Blobaum, K. J. M. Wall, M. A. Schwartz, A. J. TI Microstructural evidence for conditioning-dependent delta -> alpha ' transformations in retained delta-phase Pu-Ga SO ACTA MATERIALIA LA English DT Article DE Plutonium; Phase transformation; Martensite; Metallography ID ALLOYS; PLUTONIUM; KINETICS; TEMPERATURE; MECHANISMS; URANIUM AB The retained delta phase of a Pu-1.9 at.%, Ga alloy is metastable with respect to the martensitie delta -> alpha ' transformation that occurs at low temperatures. This transformation has been shown to proceed by means of an isothermal martensitic mode. but the kinetics of the transformation are atypical. The transformation exhibits a "double-C" in a diagram, wherein there exist two temperatures at which transformation occurs in a minimum amount of time. The cause of the double-C kinetics remains uncertain. eliciting proposals of multiple mechanisms, multiple paths, or different morphologies as possible origins. Recently, a "conditioning" treatment was found to affect the delta -> alpha ' a' transformation, but the underlying, mechanism by which the conditioning treatment influences the transformation has not yet been resolved. In this study. microstructural characterization as a function of temperature, time, and conditioning has been employed to illuminate the role of conditioning in the delta -> alpha ' transformation. Conditioning is found to enhance transformation in the upper-C and to enable transformation in the lower-C. The data garnered from these experiments suggest that conditioning is intimately linked to nucleation processes, but is of little consequence to the growth and morphology of the alpha ' product phase. (C) 2009 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Jeffries, J. R.; Blobaum, K. J. M.; Wall, M. A.; Schwartz, A. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Jeffries, JR (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,L-350, Livermore, CA 94550 USA. EM jeffries4@llnl.gov FU US Department of Energy, National Nuclear Security Administration [DE-AC52-07NA27344]; LDRD program FX Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the US Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344. This work was supported through the LDRD program. NR 32 TC 10 Z9 10 U1 2 U2 6 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 APR PY 2009 VL 57 IS 6 BP 1831 EP 1842 DI 10.1016/j.actamat.2008.11.045 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 425ZR UT WOS:000264677600013 ER PT J AU Detor, AJ Hodge, AM Chason, E Wang, YM Xu, HW Conyers, M Nikroo, A Hamza, A AF Detor, Andrew J. Hodge, Andrea M. Chason, Eric Wang, Yinmin Xu, Hongwei Conyers, Mark Nikroo, Abbas Hamza, Alex TI Stress and microstructure evolution in thick sputtered films SO ACTA MATERIALIA LA English DT Article DE Residual stresses; Physical vapor deposition (PVD); Texture; Nanocrystalline microstructure; Thick films ID RESIDUAL-STRESS; INTRINSIC STRESS; COMPRESSIVE STRESS; TENSILE-STRESS; METAL-FILMS; POLYCRYSTALLINE FILMS; DEPOSITION CONDITIONS; ASSISTED DEPOSITION; ISLAND COALESCENCE; VAPOR-DEPOSITION AB Materials synthesized by deposition techniques are often plagued by high levels of residual stress. While the origin and control of this stress in thin (sub-micron) films has been an active area of research, it is not clear how the results extrapolate with thickness. In the present work, in situ residual stress measurements are performed during the sputter deposition of beryllium, spanning the transition from thin to thick. Variables including sputtering gas pressure and substrate biasing are shown to strongly affect both the average and instantaneous stress levels measured during film growth. Detailed microstructural characterization is performed to assess the grain structure, surface morphology, and crystallographic growth texture of representative specimens. The microstructure is correlated with theoretical models of stress generation to interpret experimental measurements. A stress map is also constructed, generalizing the effects of processing and material parameters on stress state. (C) 2009 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Detor, Andrew J.; Wang, Yinmin; Hamza, Alex] Lawrence Livermore Natl Lab, Div Mat Sci & Technol, Livermore, CA 94550 USA. [Hodge, Andrea M.] Univ So Calif, Dept Aerosp & Mech Engn, Los Angeles, CA USA. [Chason, Eric] Brown Univ, Dept Engn, Providence, RI USA. [Xu, Hongwei; Conyers, Mark; Nikroo, Abbas] Gen Atom Co, San Diego, CA 92121 USA. RP Detor, AJ (reprint author), Gen Elect Global Res, 1 Res Circle,MB203, Niskayuna, NY 12309 USA. EM detor@ge.com RI Wang, Yinmin (Morris)/F-2249-2010 OI Wang, Yinmin (Morris)/0000-0002-7161-2034 FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under Me auspices of be US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 77 TC 52 Z9 53 U1 2 U2 38 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 APR PY 2009 VL 57 IS 7 BP 2055 EP 2065 DI 10.1016/j.actamat.2008.12.042 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 430OI UT WOS:000264998000002 ER PT J AU Biner, SB Hu, SY AF Biner, S. B. Hu, S. Y. TI Simulation of damage evolution in composites: A phase-field model SO ACTA MATERIALIA LA English DT Article DE Composites; Phase-field model; Fracture; Simulation ID METAL-MATRIX COMPOSITES; MICROELASTICITY THEORY; CERAMIC COMPOSITES; CRACK-PROPAGATION; MICROSTRUCTURE; DUCTILITY; SOLIDS; GROWTH; VOIDS AB In this study, a phase-field model is introduced for the simulation of damage evolution in composite systems. The damage evolution in discontinuously reinforced and laminated composites, including elastic-plastic cases, was studied parametrically in order to establish its viability. The algorithm offers significant advantages to describe the microstructure and topological changes associated with the damage evolution in comparison to conventional simulation algorirthms, due to the absence of formal meshing. The known damage mechanisms for specific composite systems naturally evolve from the algorithm with a simple evolution equation. (C) 2009 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Biner, S. B.] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. [Hu, S. Y.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Biner, SB (reprint author), Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. EM sbbiner@iastate.edu OI HU, Shenyang/0000-0002-7187-3082 FU Department of Energy-Basic Energy Sciences [DE-AC0207CH11358] FX Work at the Allies Laboratory was supported by the Department of Energy-Basic Energy Sciences under Contract No. DE-AC0207CH11358 and with an LDRD program Pacific Northwest National Laboratory. NR 42 TC 11 Z9 11 U1 4 U2 34 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 APR PY 2009 VL 57 IS 7 BP 2088 EP 2097 DI 10.1016/j.actamat.2009.01.012 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 430OI UT WOS:000264998000005 ER PT J AU Dusling, K AF Dusling, Kevin TI STATUS OF VISCOUS HYDRODYNAMIC SIMULATIONS SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT 4th Workshop on Particle Correlations and Femtoscopy CY 2008 CL Polish Acad Arts & Sci, Cracow, POLAND HO Polish Acad Arts & Sci ID HEAVY-ION COLLISIONS; QUARK-GLUON PLASMA; COMPLEX FLUIDS; GENERAL FORMALISM; ELLIPTIC FLOW; THERMODYNAMICS; DYNAMICS; NONSTATIONARY AB In this paper I give an overview of the status of viscous hydrodynamic simulations performed by a number of groups. Also discussed is the use of electromagnetic observables as an alternative probe of the shear viscosity in heavy ion collisions. C1 [Dusling, Kevin] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Dusling, Kevin] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. RP Dusling, K (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. OI Dusling, Kevin/0000-0001-9598-0416 NR 39 TC 1 Z9 1 U1 0 U2 1 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 APR PY 2009 VL 40 IS 4 BP 963 EP 972 PG 10 WC Physics, Multidisciplinary SC Physics GA 440CZ UT WOS:000265677700008 ER PT J AU Wosiek, B Alver, B Back, BB Baker, MD Ballintijn, M Barton, DS Betts, RR Bickley, AA Bindel, R Busza, W Carroll, A Chai, Z Chetluru, V Decowski, MP Garcia, E Gburek, T George, N Gulbrandsen, K Halliwell, C Hamblen, J Harnarine, I Hauer, M Henderson, C Hofman, DJ Hollis, RS Holynski, R Holzman, B Iordanova, A Johnson, E Kane, JL Khan, N Kulinich, P Kuo, CM Li, W Lin, WT Loizides, C Manly, S Mignerey, AC Nouicer, R Olszewski, A Pak, R Reed, C Richardson, E Roland, C Roland, G Sagerer, J Seals, H Sedykh, I Smith, CE Stankiewicz, MA Steinberg, P Stephans, GSF Sukhanov, A Szostak, A Tonjes, MB Trzupek, A Vale, C van Nieuwenhuizen, GJ Vaurynovich, SS Verdier, R Veres, GI Walters, P Wenger, E Willhelm, D Wolfs, FLH Wozniak, K Wyngaardt, S Wyslouch, B AF Wosiek, Barbara Alver, B. Back, B. B. Baker, M. D. Ballintijn, M. Barton, D. S. Betts, R. R. Bickley, A. A. Bindel, R. Busza, W. Carroll, A. Chai, Z. Chetluru, V. Decowski, M. P. Garcia, E. Gburek, T. George, N. Gulbrandsen, K. Halliwell, C. Hamblen, J. Harnarine, I. Hauer, M. Henderson, C. Hofman, D. J. Hollis, R. S. Holynski, R. Holzman, B. Iordanova, A. Johnson, E. Kane, J. L. Khan, N. Kulinich, P. Kuo, C. M. Li, W. Lin, W. T. Loizides, C. Manly, S. Mignerey, A. C. Nouicer, R. Olszewski, A. Pak, R. Reed, C. Richardson, E. Roland, C. Roland, G. Sagerer, J. Seals, H. Sedykh, I. Smith, C. E. Stankiewicz, M. A. Steinberg, P. Stephans, G. S. F. Sukhanov, A. Szostak, A. Tonjes, M. B. Trzupek, A. Vale, C. van Nieuwenhuizen, G. J. Vaurynovich, S. S. Verdier, R. Veres, G. I. Walters, P. Wenger, E. Willhelm, D. Wolfs, F. L. H. Wozniak, K. Wyngaardt, S. Wyslouch, B. TI EVENT-BY-EVENT ELLIPTIC FLOW FLUCTUATIONS FROM PHOBOS SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT 4th Workshop on Particle Correlations and Femtoscopy CY 2008 CL Polish Acad Arts & Sci, Cracow, POLAND HO Polish Acad Arts & Sci AB Recently PHOBOS has focused on the study of fluctuations and correlations in particle production in heavy-ion collisions at the highest energies delivered by the Relativistic Heavy Ion Collider (RHIC). In this report, we present results on event-by-event elliptic flow fluctuations in Au + Au collisions at root s(NN) = 200 GeV. A data-driven method was used to estimate the dominant contribution from non-flow correlations. Over the broad range of collision centralities, the observed large elliptic flow fluctuations are in agreement with the fluctuations in the initial source eccentricity. C1 [Wosiek, Barbara; Gburek, T.; Holynski, R.; Olszewski, A.; Trzupek, A.; Wozniak, K.] Polish Acad Sci, H Niewodniczanski Inst Nucl Phys, Krakow, Poland. [Baker, M. D.; Barton, D. S.; Carroll, A.; Chai, Z.; George, N.; Hauer, M.; Holzman, B.; Nouicer, R.; Pak, R.; Seals, H.; Sedykh, I.; Stankiewicz, M. A.; Steinberg, P.; Sukhanov, A.; Szostak, A.; Wyngaardt, S.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Back, B. B.] Argonne Natl Lab, Argonne, IL 60439 USA. [Wosiek, Barbara; Ballintijn, M.; Busza, W.; Decowski, M. P.; Gulbrandsen, K.; Henderson, C.; Kane, J. L.; Kulinich, P.; Li, W.; Loizides, C.; Reed, C.; Roland, C.; Roland, G.; Stephans, G. S. F.; Vale, C.; van Nieuwenhuizen, G. J.; Vaurynovich, S. S.; Verdier, R.; Veres, G. I.; Wenger, E.; Wyslouch, B.] MIT, Cambridge, MA 02139 USA. [Kuo, C. M.; Lin, W. T.] Natl Cent Univ, Chungli 32054, Taiwan. [Betts, R. R.; Chetluru, V.; Garcia, E.; Halliwell, C.; Harnarine, I.; Hofman, D. J.; Hollis, R. S.; Iordanova, A.; Sagerer, J.; Smith, C. E.] Univ Illinois, Chicago, IL 60607 USA. [Bickley, A. A.; Bindel, R.; Mignerey, A. C.; Richardson, E.; Tonjes, M. B.; Willhelm, D.] Univ Maryland, College Pk, MD 20742 USA. [Hamblen, J.; Johnson, E.; Khan, N.; Manly, S.; Walters, P.; Wolfs, F. L. H.] Univ Rochester, Rochester, NY 14627 USA. RP Wosiek, B (reprint author), Polish Acad Sci, H Niewodniczanski Inst Nucl Phys, Krakow, Poland. RI Decowski, Patrick/A-4341-2011; Mignerey, Alice/D-6623-2011 NR 12 TC 1 Z9 1 U1 0 U2 1 PU POLISH ACAD SCIENCES INST PHYSICS PI WARSAW PA AL LOTNIKOW 32-46, PL-02-668 WARSAW, POLAND SN 0587-4254 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD APR PY 2009 VL 40 IS 4 BP 1081 EP 1086 PG 6 WC Physics, Multidisciplinary SC Physics GA 440CZ UT WOS:000265677700021 ER PT J AU Mitchell, JT AF Mitchell, J. T. CA PHENIX Collaboration TI SEARCHING FOR THE QCD CRITICAL POINT WITH CORRELATION AND FLUCTUATION MEASUREMENTS FROM PHENIX SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT 4th Workshop on Particle Correlations and Femtoscopy CY 2008 CL Polish Acad Arts & Sci, Cracow, POLAND HO Polish Acad Arts & Sci ID COLLISIONS; PHYSICS; GEV/C AB The PHENIX experiment has conducted searches for the QCD critical point with measurements of multiplicity fluctuations, transverse momentum fluctuations, event-by-event kaon-to-pion ratios, and azimuthal correlations. Measurements have been made in several collision systems as a function of centrality and transverse momentum. The results do not show significant evidence of critical behavior in the collision systems and energies studied, although several interesting features are discussed. C1 [Mitchell, J. T.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Mitchell, JT (reprint author), Brookhaven Natl Lab, POB 5000, Upton, NY 11973 USA. NR 13 TC 0 Z9 0 U1 0 U2 0 PU POLISH ACAD SCIENCES INST PHYSICS PI WARSAW PA AL LOTNIKOW 32-46, PL-02-668 WARSAW, POLAND SN 0587-4254 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD APR PY 2009 VL 40 IS 4 BP 1087 EP 1092 PG 6 WC Physics, Multidisciplinary SC Physics GA 440CZ UT WOS:000265677700022 ER PT J AU Odyniec, G AF Odyniec, Grazyna TI EXPERIMENTAL APPROACH TO THE QCD PHASE DIAGRAM - BEAM ENERGY SCAN AT RHIC SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT 4th Workshop on Particle Correlations and Femtoscopy CY 2008 CL Polish Acad Arts & Sci, Cracow, POLAND HO Polish Acad Arts & Sci ID CRITICAL-POINT; TEMPERATURE; COLLISIONS; DENSITY; COLLABORATION; FLUCTUATIONS; RESTORATION; TRANSITION AB The QCD phase diagram appears to be the most important single figure of our field. While recent progress in Lattice QCD (LQCD) and model calculations is impressive, the location of phase boundaries and the exact position of the hypothetical critical point (CP) remains unknown. The available theoretical estimates, however, indicate that the critical point might be in the region of the phase diagram probed by current heavy ion experiments. The Beam Energy Scan (BES) program at RHIC, described in this paper, was launched to expand the experimental study where theory cannot yet reach. Both large RHIC experiments, STAR and PHENIX, are in the process of preparing for the first run. Particularly STAR with its large, uniform acceptance and excellent particle identification capabilities, is uniquely positioned to cover this physics in unprecedented depth and detail. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Odyniec, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NR 23 TC 13 Z9 14 U1 0 U2 0 PU POLISH ACAD SCIENCES INST PHYSICS PI WARSAW PA AL LOTNIKOW 32-46, PL-02-668 WARSAW, POLAND SN 0587-4254 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD APR PY 2009 VL 40 IS 4 BP 1237 EP 1242 PG 6 WC Physics, Multidisciplinary SC Physics GA 440CZ UT WOS:000265677700040 ER PT J AU Wang, XQ Dai, S AF Wang, Xiqing Dai, Sheng TI A simple method to ordered mesoporous carbons containing nickel nanoparticles SO ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY LA English DT Article DE Ordered mesoporous carbon; Magnetic; Adsorbent; Nickel; Synthesis ID SURFACE FUNCTIONALIZATION; MAGNETIC NANOPARTICLES; OXIDE NANOPARTICLES; BLOCK-COPOLYMERS; FACILE SYNTHESIS; SILICA TEMPLATE; POROUS CARBON; CATALYST; COMPOSITES; FRAMEWORKS AB A series of ordered mesoporous carbons containing magnetic Ni nanoparticles (Ni-OMCs) with a variety of Ni loadings was made by a simple one-pot synthetic procedure through carbonization of phenolic resin-Pluronic block copolymer composites containing various amount of nickel nitrate. Such composite materials were characterized by N(2) sorption, XRD, and STEM. Ni-OMCs exhibited high BET surface area, uniform pore size, and large pore volume without obvious pore blockage with a Ni loading as high as 15 wt%. Ni nanoparticles were crystalline with a face-center-cubic phase and observed mainly in the carbon matrix and on the outer surface as well. The average particle size of Ni nanoparticles was dependent on the preparation (carbonization) temperature and Ni loading; the higher the temperature was used and the more the Ni was incorporated, the larger the Ni nanoparticles were observed. One of the applications of Ni-OMCs was demonstrated as magnetically separable adsorbents. C1 [Wang, Xiqing; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM dais@ornl.gov RI Wang, Xiqing/E-3062-2010; Dai, Sheng/K-8411-2015 OI Wang, Xiqing/0000-0002-1843-008X; Dai, Sheng/0000-0002-8046-3931 FU Division of Chemical Sciences, Office of Basic Energy Sciences, U. S. Department of Energy [DE-AC05-00OR22725] FX This work was conducted at the Oak Ridge National Laboratory and supported by the Division of Chemical Sciences, Office of Basic Energy Sciences, U. S. Department of Energy, under contract No. DE-AC05-00OR22725 with UT-Battelle, LLC. This research was supported in part by an appointment for X. W. to the Oak Ridge National Laboratory Postdoctoral Research Associates Program, administered jointly by the Oak Ridge Institute for Science and Education and Oak Ridge National Laboratory. NR 25 TC 36 Z9 37 U1 3 U2 40 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0929-5607 J9 ADSORPTION JI Adsorpt.-J. Int. Adsorpt. Soc. PD APR PY 2009 VL 15 IS 2 BP 138 EP 144 DI 10.1007/s10450-009-9164-y PG 7 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 440EK UT WOS:000265682800007 ER PT J AU Bhaumik, D Scott, GK Schokrpur, S Patil, CK Orjalo, AV Rodier, F Lithgow, GJ Campisi, J AF Bhaumik, Dipa Scott, Gary K. Schokrpur, Shiruyeh Patil, Christopher K. Orjalo, Arturo V. Rodier, Francis Lithgow, Gordon J. Campisi, Judith TI MicroRNAs miR-146a/b negatively modulate the senescence associated inflammatory mediators IL-6 and IL-8 SO AGING-US LA English DT Article DE miRNA; DNA damage; IL-1 alpha; IL-6; IL-8; inflammation ID TUMOR-SUPPRESSOR NETWORK; CELLULAR SENESCENCE; HUMAN-CELLS; EXPRESSION; CANCER; GROWTH; STRESS; P53; DIFFERENTIATION; IMMORTALIZATION AB Senescence is a cellular program that irreversibly arrests the proliferation of damaged cells and induces the secretion of the inflammatory mediators IL- 6 and IL-8 which are part of a larger senescence associated secretory phenotype (SASP). We screened quiescent and senescent human fibroblasts for differentially expressed microRNAS (miRNAs) and found that miRNAs 146a and 146b (miR-146a/b) were significantly elevated during senescence. We suggest that delayed miR-146a/b induction might be a compensatory response to restrain inflammation. Indeed, ectopic expression of miR-146a/b in primary human fibroblasts suppressed IL-6 and IL-8 secretion and downregulated IRAK1, a crucial component of the IL-1 receptor signal transduction pathway. Cells undergoing senescence without induction of a robust SASP did not express miR-146a/b. Further, IL-1 alpha neutralizing antibodies abolished both miR-146a/b expression and IL-6 secretion. Our findings expand the biological contexts in which miRNA-146a/b modulates inflammatory responses. They suggest that IL-1 receptor signaling initiates both miR-146a/b upregulation and cytokine secretion, and that miR-146a/b is expressed in response to rising inflammatory cytokine levels as part of a negative feedback loop that restrains excessive SASP activity. C1 [Bhaumik, Dipa; Scott, Gary K.; Schokrpur, Shiruyeh; Patil, Christopher K.; Orjalo, Arturo V.; Rodier, Francis; Lithgow, Gordon J.; Campisi, Judith] Buck Inst Age Res, Novato, CA 94945 USA. [Patil, Christopher K.; Rodier, Francis; Campisi, Judith] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Campisi, J (reprint author), Buck Inst Age Res, 8001 Redwood Blvd, Novato, CA 94945 USA. EM jcampisi@buckinstitute.org FU National Institutes of Health [R37-AG09909, U54-CA0126540, U54-ES015566, P30-AG025708] FX We thank Dr. Pierre Desprez for valuable comments and critical reading of the manuscript. This work was supported by grants from the National Institutes of Health (R37-AG09909, U54-CA0126540, U54-ES015566, P30-AG025708). NR 47 TC 189 Z9 195 U1 0 U2 11 PU IMPACT JOURNALS LLC PI ALBANY PA 6211 TIPTON HOUSE, STE 6, ALBANY, NY 12203 USA SN 1945-4589 J9 AGING-US JI Aging-US PD APR PY 2009 VL 1 IS 4 BP 402 EP 411 PG 10 WC Cell Biology SC Cell Biology GA 579UN UT WOS:000276401100008 PM 20148189 ER PT J AU Lin, JF Gavriliuk, AG Sturhahn, W Jacobsen, SD Zhao, JY Lerche, M Hu, M AF Lin, Jung-Fu Gavriliuk, Alexander G. Sturhahn, Wolfgang Jacobsen, Steven D. Zhao, Jiyong Lerche, Michael Hu, Michael TI Synchrotron Mossbauer spectroscopic study of ferropericlase at high pressures and temperatures SO AMERICAN MINERALOGIST LA English DT Article DE Ferropericlase; diamond-anvil cell; spin transition; Mossbauer spectroscopy; high pressures; high temperatures ID EARTHS LOWER MANTLE; OPTICAL-ABSORPTION SPECTRA; SPIN TRANSITION; RADIATIVE CONDUCTIVITY; FERRIC IRON; MAGNESIOWUSTITE; (MG,FE)O; GPA; SCATTERING; OLIVINE AB The electronic spin state of Fe2+ in ferropericlase, (Mg0.75Fe0.25)O, transitions from a high-spin (spin unpaired) to low-spin (spin paired) state within the Earth's mid-lower mantle region. To better understand the local electronic environment of high-spin Fe2+ ions in ferropericlase near the transition, we obtained synchrotron Mossbauer spectra (SMS) of (Mg-0.75,Fe-0.25)O in externally heated and laser-heated diamond anvil cells at relevant high pressures and temperatures. Results show that the quadrupole splitting (QS) of the dominant high-spin Fe2+ site decreases with increasing temperature at static high pressure. The QS values at constant pressure are fitted to a temperature-dependent Boltzmann distribution model, which permits estimation of the crystal-field splitting energy (Delta(3)) between the d(xy) and d(xz) or d(zy) orbitals of the t(2g) states in a distorted octahedral Fe2+ site. The derived Delta(3) increases from approximately 36 meV at 1 GPa to 95 meV at 40 GPa, revealing that both high pressure and high temperature have significant effects on the 3d electronic shells of Fe2+ in ferropericlase. The SMS spectra collected from the laser-heated diamond cells within the time window of 146 ns also indicate that QS significantly decreases at very high temperatures. A larger splitting of the energy levels at high temperatures and pressures should broaden the spin crossover in ferropericlase because the degeneracy of energy levels is partially lifted. Our results provide information on the hyperfine parameters and crystal-field splitting energy of high-spin Fe2+ in ferropericlase at high pressures and temperatures, relevant to the electronic structure of iron in oxides in the deep lower mantle. C1 [Lin, Jung-Fu] Univ Texas Austin, Dept Geol Sci, Jackson Sch Geosci, Austin, TX 78712 USA. [Gavriliuk, Alexander G.] Russian Acad Sci, Inst High Pressure Phys, Troitsk 142190, Moscow Region, Russia. [Gavriliuk, Alexander G.] Russian Acad Sci, Inst Crystallog, Moscow 119333, Russia. [Lerche, Michael] Argonne Natl Lab, Adv Photon Source, HPSynC, Argonne, IL 60439 USA. [Sturhahn, Wolfgang] CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA. [Jacobsen, Steven D.] Northwestern Univ, Dept Earth & Planetary Sci, Evanston, IL 60208 USA. [Hu, Michael] Argonne Natl Lab, Adv Photon Source, HPCAT, Argonne, IL 60439 USA. RP Lin, JF (reprint author), Univ Texas Austin, Dept Geol Sci, Jackson Sch Geosci, Austin, TX 78712 USA. EM afu@jsg.utexas.edu RI Lin, Jung-Fu/B-4917-2011; Jacobsen, Steven/F-3443-2013; Gavriliuk, Alexander/G-1317-2011 OI Jacobsen, Steven/0000-0002-9746-958X; Gavriliuk, Alexander/0000-0003-0604-586X NR 45 TC 8 Z9 8 U1 1 U2 14 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X EI 1945-3027 J9 AM MINERAL JI Am. Miner. PD APR PY 2009 VL 94 IS 4 BP 594 EP 599 DI 10.2138/am.2009.3108 PG 6 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 432TL UT WOS:000265157000018 ER PT J AU Kunz, M AF Kunz, Martin TI Presentation of the Mineralogical Society of America Dana Medal for 2008 to Thomas Armbruster SO AMERICAN MINERALOGIST LA English DT Biographical-Item C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Kunz, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, MS 4R 0230, Berkeley, CA 94720 USA. RI Kunz, Martin/K-4491-2012 OI Kunz, Martin/0000-0001-9769-9900 NR 1 TC 0 Z9 0 U1 0 U2 0 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X J9 AM MINERAL JI Am. Miner. PD APR PY 2009 VL 94 IS 4 BP 644 EP 645 DI 10.2138/am.2009.529 PG 2 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 432TL UT WOS:000265157000030 ER PT J AU Dalling, JW Brown, TA AF Dalling, James W. Brown, Thomas A. TI Long-Term Persistence of Pioneer Species in Tropical Rain Forest Soil Seed Banks SO AMERICAN NATURALIST LA English DT Article DE carbon dating; pioneer species; seed survival; forest regeneration ID ACCELERATOR MASS-SPECTROMETRY; GAP-PHASE REGENERATION; BOMB C-14 DATA; RECRUITMENT LIMITATION; NEOTROPICAL PIONEERS; TREE DIVERSITY; DISPERSAL; DYNAMICS; SIZE; ENVIRONMENTS AB In tropical forests, pioneer tree species regenerate from seeds dispersed directly into canopy gaps and from seeds that persisted in soil seed banks before gap formation. Life-history models have suggested that selection for the long-term persistence of tree seeds in the soil should be weak because persistence potentially reduces population growth rate by extending generation time and because adult life spans may exceed the return interval of favorable recruitment sites. Here we use accelerator mass spectrometry to carbon-date seeds of three pioneer tree species extracted from undisturbed seed banks in seasonally moist lowland Neotropical forest. We show that seeds of Croton billbergianus, Trema micrantha, and Zanthoxylum ekmannii germinate successfully from surface soil microsites after 38, 31, and 18 years, respectively. Decades-long persistence may be common in large-seeded tropical pioneers and appears to be unrelated to specific regeneration requirements. C1 [Dalling, James W.] Univ Illinois, Dept Plant Biol, Urbana, IL 61801 USA. [Dalling, James W.] Smithsonian Trop Res Inst, Ancon, Panama. [Brown, Thomas A.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94551 USA. RP Dalling, JW (reprint author), Univ Illinois, Dept Plant Biol, Urbana, IL 61801 USA. EM dallingj@life.uiuc.edu FU Center for Accelerator Mass Spectrometry; U. S. Department of Energy by Lawrence Livermore National Laboratory [W-7405-Eng48, DE-AC52-07NA27344] FX This research was supported in part by the Center for Accelerator Mass Spectrometry under the University Collaborative Research Program at Lawrence Livermore National Laboratory and was performed in part under the auspices of the U. S. Department of Energy by Lawrence Livermore National Laboratory ( contracts W-7405-Eng48 and DE-AC52-07NA27344). We thank A. Morris and E. Sanchez for assistance in the field and A. Davis, P. Grubb, and S. J. Wright for suggestions that greatly improved the manuscript. NR 42 TC 20 Z9 21 U1 1 U2 28 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0003-0147 J9 AM NAT JI Am. Nat. PD APR PY 2009 VL 173 IS 4 BP 531 EP 535 DI 10.1086/597221 PG 5 WC Ecology; Evolutionary Biology SC Environmental Sciences & Ecology; Evolutionary Biology GA 415MG UT WOS:000263937300013 PM 19228112 ER PT J AU Niles, R Witkowska, HE Allen, S Hall, SC Fisher, SJ Hardt, M AF Niles, Richard Witkowska, H. Ewa Allen, Simon Hall, Steven C. Fisher, Susan J. Hardt, Markus TI Acid-Catalyzed Oxygen-18 Labeling of Peptides SO ANALYTICAL CHEMISTRY LA English DT Article ID DESORPTION/IONIZATION MASS-SPECTROMETRY; COMPARATIVE PROTEOMICS; INTERNAL STANDARDS; AMINO-ACIDS; PROTEINS; QUANTIFICATION; EXCHANGE; SILAC; QUANTITATION; STRATEGY AB In enzymatic (18)O-labeling strategies for quantitative proteomics, the exchange of carboxyl oxygens at low pH is a common, undesired side reaction. We asked if acid-catalyzed back exchange could interfere with quantitation and whether the reaction itself could be used as method for introducing (18)O label into peptides. Several synthetic peptides were dissolved in dilute acid containing 50% (v/v) H(2)(18)O and incubated at room temperature. Aliquots were removed over a period of 3 weeks and analyzed by tandem mass spectrometry (MS/MS). (18)O-incorporation ratios were determined by linear regression analysis that allowed for multiple stable-isotope incorporations. At low pH, peptides exchanged their carboxyl oxygen atoms with the aqueous solvent. The isotope patterns gradually shifted to higher masses until they reached the expected binomial distribution at equilibrium after similar to 11 days. Reaction rates were residue- and sequence-specific. Due to its slow nature, the acid-catalyzed back exchange is expected to minimally interfere with enzymatic (18)O-labeling studies provided that storage and analysis conditions minimize low-pH exposure times. On its own, acid-catalyzed (18)O labeling is a general tagging strategy that is an alternative to the chemical, metabolic, and enzymatic isotope-labeling schemes currently used in quantitative proteomics. C1 [Niles, Richard; Witkowska, H. Ewa; Allen, Simon; Hall, Steven C.; Fisher, Susan J.; Hardt, Markus] Univ Calif San Francisco, Dept Cell & Tissue Biol, San Francisco, CA 94143 USA. [Fisher, Susan J.] Univ Calif San Francisco, Dept Anat, San Francisco, CA 94143 USA. [Fisher, Susan J.] Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94143 USA. [Witkowska, H. Ewa; Hall, Steven C.; Fisher, Susan J.] Univ Calif San Francisco, UCSF Mass Spectrometry Core Facil, San Francisco, CA 94143 USA. [Fisher, Susan J.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Hardt, M (reprint author), Boston Biomed Res Inst, 64 Grove St, Watertown, MA 02472 USA. EM hardt@bbri.org FU Sandler New Technology Fund [U01 DE016274, U24 CA126477]; UCSF CTSI-SOS Pilot Study Award FX This work was supported by U01 DE016274, U24 CA126477, the Sandler New Technology Fund, and a UCSF CTSI-SOS Pilot Study Award. NR 26 TC 32 Z9 32 U1 0 U2 11 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 APR 1 PY 2009 VL 81 IS 7 BP 2804 EP 2809 DI 10.1021/ac802484d PG 6 WC Chemistry, Analytical SC Chemistry GA 427DG UT WOS:000264759400052 PM 19243188 ER PT J AU Achyuthan, KE McClain, JL Zhou, ZJ Whitten, DG Branch, DW AF Achyuthan, Komandoor E. McClain, Jaime L. Zhou, Zhijun Whitten, David G. Branch, Darren W. TI Spectroscopic Analyses of the Noncovalent Self-Assembly of Cyanines upon Various Nucleic Acid Scaffolds SO ANALYTICAL SCIENCES LA English DT Article ID LIGHT-SCATTERING TECHNIQUE; COMPLEX MATTER; DYE; ASSAYS; NANOPARTICLES; ORGANIZATION; AGGREGATION AB We utilized self-assembly of cyanine chromophores to study the conformational changes in various types of nucleic acid scaffolds: single and double stranded DNA, linear or circular DNA and RNA. We identified a chromophore that became highly fluorescent after aggregating upon nucleic acids. Fluorescence from the aggregate was instantaneous after self-assembly. Temporal emission profiles displayed a biphasic trend demonstrating kinetic dependence for assembly and disassembly. Absorption spectra of the aggregate showed a red-shifted "shoulder" peak indicative of J-aggregate. Fluorescence from J-aggregates was also red-shifted. We utilized cyanine self-assembly to quantize various nucleic acids. The limits of detection and quantization for phi X174 DNA were 3 and 9 fmol, respectively. We similarly determined the sensitivity for various nucleic acids and established the optimum conditions for self-assembly. Collectively, the effects of methanol, salt, and full width at half maximum for cyanine fluorescence on DNA or carboxymethylamylose scaffolds. all suggested noncovalent, electrostatic, and hydrophobic forces were involved in supramolecular self-assembly. Our results facilitate a better understanding of supramolecular self-assembly. C1 [Achyuthan, Komandoor E.; McClain, Jaime L.; Branch, Darren W.] Sandia Natl Labs, Biosensors & Nanomat Dept, Albuquerque, NM 87185 USA. [Zhou, Zhijun; Whitten, David G.] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. RP Achyuthan, KE (reprint author), Sandia Natl Labs, Biosensors & Nanomat Dept, POB 5800, Albuquerque, NM 87185 USA. EM kachyut@sandia.gov FU Defense Threat Reduction Agency-Joint Science and Technology Office (DTRA-JSTO) [AA07CBT008]; Sandia's Laboratory Directed Research and Development (LDRD) [105874] FX Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000. K. A. thanks the Defense Threat Reduction Agency-Joint Science and Technology Office (DTRA-JSTO, contract #AA07CBT008) for partially funding these investigations. This work was also supported in part by Sandia's Laboratory Directed Research and Development (LDRD) project #105874 awarded to D. B. We thank Prof. Bruce Armitage, Department of Chemistry, Camegie Mellon University, Pittsburgh, PA, for valuable comments. NR 23 TC 7 Z9 7 U1 0 U2 5 PU JAPAN SOC ANALYTICAL CHEMISTRY PI TOKYO PA 26-2 NISHIGOTANDA 1 CHOME SHINAGAWA-KU, TOKYO, 141, JAPAN SN 0910-6340 J9 ANAL SCI JI Anal. Sci. PD APR PY 2009 VL 25 IS 4 BP 469 EP 474 PG 6 WC Chemistry, Analytical SC Chemistry GA 457PM UT WOS:000266944400002 PM 19359784 ER PT J AU Chadwick, MB Little, RC Kawano, T Talou, P Viera, D Jandel, M Bredeweg, TA White, MC Tonchev, AP Becker, JA AF Chadwick, Mark B. Little, Robert C. Kawano, Toshihiko Talou, Patrick Viera, David Jandel, Marian Bredeweg, Todd A. White, Morgan C. Tonchev, Anton P. Becker, John A. TI Actinide ENDF/B-VII cross-section evaluations and validation testing SO ANNALS OF NUCLEAR ENERGY LA English DT Article; Proceedings Paper CT International Conference on Physics of Reactors - Nuclear Power, A Sustainable Resource CY SEP 14-19, 2008-2009 CL Interlaken, SWITZERLAND ID PROMPT-FISSION-NEUTRONS; SPECTRA; PU-239; MODEL AB We describe advances made recently at Los Alamos for ENDF/B-VII, and for future ENDF releases, of actinide cross-section evaluations. Using americium as an illustrative example, we describe recent experiments that have largely confirmed the nuclear theory predictions that were the basis for the ENDF/B-VII.0 data for these americium reactions. The goal of this paper is to highlight some of the open issues in our understanding of the actinide nuclear data - especially for fast reactor applications - and show examples of how experiment, theory, and integral data validation has advanced our understanding. We will also describe the usage of these data in MCNP and S-N radiation transport simulations of various integral critical systems, for both criticality and for transmutation reaction rates. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Chadwick, Mark B.; Little, Robert C.; Kawano, Toshihiko; Talou, Patrick; Viera, David; Jandel, Marian; Bredeweg, Todd A.; White, Morgan C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Tonchev, Anton P.] Duke Univ, Triangle Univ Nucl Lab, Durham, NC 27708 USA. [Becker, John A.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Chadwick, MB (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM mbchadwick@lanl.gov OI White, Morgan/0000-0003-3876-421X NR 30 TC 4 Z9 4 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 APR PY 2009 VL 36 IS 3 BP 258 EP 262 DI 10.1016/j.anucene.2008.11.011 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 426YM UT WOS:000264744500002 ER PT J AU Thoreson, G McClarren, RG Chang, JH AF Thoreson, Greg McClarren, Ryan G. Chang, Jae H. TI High resolution time integration for S-N radiation transport SO ANNALS OF NUCLEAR ENERGY LA English DT Article; Proceedings Paper CT International Conference on Physics of Reactors - Nuclear Power, A Sustainable Resource CY SEP 14-19, 2008-2009 CL Interlaken, SWITZERLAND ID EQUATIONS AB First-order, second-order, and high resolution time discretization schemes are implemented and studied for the discrete ordinates (SN) equations. The high resolution method employs a rate of convergence better than first-order, but also suppresses artificial oscillations introduced by second-order schemes in hyperbolic partial differential equations. The high resolution method achieves these properties by non-linearly adapting the time stencil to use a first-order method in regions where oscillations could be created. We employ a quasi-linear solution scheme to solve the nonlinear equations that arise from the high resolution method. All three methods were compared for accuracy and convergence rates. For non-absorbing problems, both second-order and high resolution converged to the same solution as the first-order with better convergence rates. High resolution is more accurate than first-order and matches or exceeds the second-order method. Published by Elsevier Ltd. C1 [Thoreson, Greg] Univ Texas Austin, Nucl Engn Teaching Lab, Austin, TX 78712 USA. [McClarren, Ryan G.; Chang, Jae H.] Los Alamos Natl Lab, Computat Phys & Methods Grp CCS 2, Los Alamos, NM 87545 USA. RP McClarren, RG (reprint author), Texas A&M Univ, Dept Nucl Engn, College Stn, TX 77843 USA. EM rgm@tamu.edu NR 6 TC 0 Z9 0 U1 0 U2 0 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 APR PY 2009 VL 36 IS 3 BP 263 EP 267 DI 10.1016/j.anucene.2008.11.017 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 426YM UT WOS:000264744500003 ER PT J AU Xu, YL Downar, T Walls, R Ivanov, K Staudenmeier, J March-Lueba, J AF Xu, Yunlin Downar, Thomas Walls, R. Ivanov, K. Staudenmeier, J. March-Lueba, J. TI Application of TRACE/PARCS to BWR stability analysis SO ANNALS OF NUCLEAR ENERGY LA English DT Article; Proceedings Paper CT International Conference on Physics of Reactors - Nuclear Power, A Sustainable Resource CY SEP 14-19, 2008-2009 CL Interlaken, SWITZERLAND AB The work described here is the validation of TRACE/PARCS for Boiling Water Reactor stability analysis. A stability methodology was previously developed, verified, and validated using data from the OECD Ringhals stability benchmark. The work performed here describes the application of TRACE/PARCS to all the stability test points from cycle 14 of the Ringhals benchmark. The benchmark points from cycle 14 were performed using a half-core symmetric, 325 channel TRACE model. Several parametric studies are performed on test point 10 of cycle 14. Two temporal difference methods, Semi-Implicit method (SI) and Stability Enhanced Two Step (SETS) method are applied to three different mesh sizes in heated channels with series of time step sizes. The results show that the SI method has a smaller numerical damping than the SETS method. When applying the S1 method with adjusted mesh and Courant time step sizes (the largest time step size under the Courant limit), the numerical damping is minimized, and the predicted Decay Ratio (DR) agrees well with the reference values which were obtained from the measured noise signal. The SI method with adjusted mesh and Courant time step size is then applied to all test points of cycle 14 with three types of initiating perturbations, control rod (CR), pressure perturbation, and noise simulation (NS). There is good agreement between the decay ratios and frequencies predicted by TRACE/PARCS and those from the plant measurements. Sensitivities were also performed to investigate the impact on the decay ratio and natural frequency of the heat conductivity of the gap between fuel and clad, as well as the impact of the pressure loss coefficient of spacers. (C) 2009 Published by Elsevier Ltd. C1 [Xu, Yunlin; Downar, Thomas] Purdue Univ, W Lafayette, IN 47907 USA. [Walls, R.; Ivanov, K.] Penn State Univ, State Coll, PA USA. [Staudenmeier, J.] US NRC, Rockville, MD USA. [March-Lueba, J.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Xu, YL (reprint author), Purdue Univ, W Lafayette, IN 47907 USA. EM yunlin@purdue.edu NR 15 TC 16 Z9 16 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 APR PY 2009 VL 36 IS 3 BP 317 EP 323 DI 10.1016/j.anucene.2008.12.022 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 426YM UT WOS:000264744500012 ER PT J AU Kim, TK Yang, WS Grandy, C Hill, RN AF Kim, T. K. Yang, W. S. Grandy, C. Hill, R. N. TI Core design studies for a 1000 MWth Advanced Burner Reactor SO ANNALS OF NUCLEAR ENERGY LA English DT Article; Proceedings Paper CT International Conference on Physics of Reactors - Nuclear Power, A Sustainable Resource CY SEP 14-19, 2008-2009 CL Interlaken, SWITZERLAND AB This paper describes the core design and performance characteristics of 1000 MWth Advanced Burner Reactor (ABR) core concepts with a wide range of TRU conversion ratio. Using ternary metal alloy and mixed oxide fuels, reference core designs of a medium TRU conversion ratio of similar to 0.7 were developed by trade-off between burnup reactivity loss and TRU conversion ratio. Based on these reference core concepts, TRU burner cores with low and high TRU conversion ratios were developed by changing the intra-assembly design parameters and core configurations. Reactor performance characteristics were evaluated in detail, including equilibrium cycle core performances, reactivity feedback coefficients, and shutdown margins. The results showed that by employing different assembly designs, a wide range of TRU conversion ratios from similar to 0.2 to break-even can be achieved within the same core without introducing significant performance and safety penalties. Published by Elsevier Ltd. C1 [Kim, T. K.; Yang, W. S.; Grandy, C.; Hill, R. N.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Kim, TK (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM tkkim@anl.gov OI Yang, Won Sik/0000-0003-0734-6023 NR 10 TC 18 Z9 18 U1 1 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 APR PY 2009 VL 36 IS 3 BP 331 EP 336 DI 10.1016/j.anucene.2008.12.021 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 426YM UT WOS:000264744500014 ER PT J AU Palmiotti, G Salvatores, M Aliberti, G Hiruta, H McKnight, R Oblozinsky, P Yang, WS AF Palmiotti, Giuseppe Salvatores, Massimo Aliberti, Gerardo Hiruta, H. McKnight, R. Oblozinsky, P. Yang, W. S. TI A global approach to the physics validation of simulation codes for future nuclear systems SO ANNALS OF NUCLEAR ENERGY LA English DT Article; Proceedings Paper CT International Conference on Physics of Reactors - Nuclear Power, A Sustainable Resource CY SEP 14-19, 2008-2009 CL Interlaken, SWITZERLAND AB This paper presents a global approach to the validation of the parameters that enter into the neutronics simulation tools for advanced fast reactors with the objective to reduce the uncertainties associated to crucial design parameters. This global approach makes use of sensitivity/uncertainty methods; statistical data adjustments; integral experiment selection, analysis and "representativity" quantification with respect to a reference system; scientifically based cross-section covariance data and appropriate methods for their use in multigroup calculations. This global approach has been applied to the uncertainty reduction on the criticality of the Advanced Burner Reactor (both metal and oxide core versions) presently investigated in the frame of the GNEP initiative. The results obtained are very encouraging and allow to indicate some possible improvements of the ENDF/B-VII data file. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Palmiotti, Giuseppe; Salvatores, Massimo; Hiruta, H.] Idaho Natl Lab, NSE Div, Idaho Falls, ID 83415 USA. [Salvatores, Massimo; Aliberti, Gerardo; McKnight, R.; Yang, W. S.] Argonne Natl Lab, NE Div, Argonne, IL 60439 USA. [Salvatores, Massimo] CEA Cadarache, F-13108 St Paul Les Durance, France. [Oblozinsky, P.] Brookhaven Natl Lab, NNDC, Upton, NY 11973 USA. RP Salvatores, M (reprint author), Idaho Natl Lab, NSE Div, 2525 Fremont Ave,POB 1625, Idaho Falls, ID 83415 USA. EM Massimo.salvatores@cea.fr OI Yang, Won Sik/0000-0003-0734-6023 NR 20 TC 14 Z9 14 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 APR PY 2009 VL 36 IS 3 BP 355 EP 361 DI 10.1016/j.anucene.2008.11.012 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 426YM UT WOS:000264744500018 ER PT J AU Ott, LJ Tverberg, T Sartori, E AF Ott, L. J. Tverberg, Terje Sartori, Enrico TI Mixed-oxide (MOX) fuel performance benchmarks SO ANNALS OF NUCLEAR ENERGY LA English DT Article; Proceedings Paper CT International Conference on Physics of Reactors - Nuclear Power, A Sustainable Resource CY SEP 14-19, 2008-2009 CL Interlaken, SWITZERLAND AB Within the framework of the OECD/NEA Expert Group on Reactor-based Plutonium disposition (TFRPD), fuel modeling code benchmarks for MOX fuel were initiated. This paper summarizes the calculation results provided by the contributors for the first two fuel performance benchmark problems. A limited sensitivity study of the effect of the rod power uncertainty on code predictions of fuel centerline temperature and fuel pin pressure also was performed and is included in the paper. Published by Elsevier Ltd. C1 [Ott, L. J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Tverberg, Terje] OECD Halden Reactor Project, Halden, Norway. [Sartori, Enrico] Data Bank, OECD NEA, Paris, France. RP Ott, LJ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM ottlj@ornl.gov NR 10 TC 5 Z9 5 U1 0 U2 0 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 APR PY 2009 VL 36 IS 3 BP 375 EP 379 DI 10.1016/j.anucene.2008.12.019 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 426YM UT WOS:000264744500021 ER PT J AU Steinwart, I Anghel, M AF Steinwart, Ingo Anghel, Marian TI CONSISTENCY OF SUPPORT VECTOR MACHINES FOR FORECASTING THE EVOLUTION OF AN UNKNOWN ERGODIC DYNAMICAL SYSTEM FROM OBSERVATIONS WITH UNKNOWN NOISE SO ANNALS OF STATISTICS LA English DT Article DE Observational noise model; forecasting dynamical systems; support vector machines; consistency ID CHAOTIC TIME-SERIES; EXPANDING MAPS; REDUCTION; CLASSIFICATION; PREDICTION; REGRESSION AB We consider the problem of forecasting the next (observable) state of an unknown ergodic dynamical system from a noisy observation of the present state. Our main result shows, for example, that Support vector machines (SVMs) using Gaussian RBF kernels can learn the best forecaster from a sequence of noisy observations if (a) the unknown observational noise process is bounded and has a summable alpha-mixing rate and (b) the unknown ergodic dynamical system is defined by a Lipschitz continuous function on some compact subset of R-d and has a summable decay of correlations for Lipschitz continuous functions. In order to prove this result we first establish a general consistency result for SVMs and all stochastic processes that satisfy a mixing notion that is substantially weaker than alpha-mixing. C1 [Steinwart, Ingo; Anghel, Marian] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Steinwart, I (reprint author), Los Alamos Natl Lab, Informat Sci CCS-3,MS B256, Los Alamos, NM 87545 USA. EM ingo@lanl.gov; manghel@lanl.gov OI Steinwart, Ingo/0000-0002-4436-7109 NR 43 TC 4 Z9 4 U1 1 U2 2 PU INST MATHEMATICAL STATISTICS PI CLEVELAND PA 3163 SOMERSET DR, CLEVELAND, OH 44122 USA SN 0090-5364 J9 ANN STAT JI Ann. Stat. PD APR PY 2009 VL 37 IS 2 BP 841 EP 875 DI 10.1214/07-AOS562 PG 35 WC Statistics & Probability SC Mathematics GA 437PX UT WOS:000265500500011 ER PT J AU Ward, NL Challacombe, JF Janssen, PH Henrissat, B Coutinho, PM Wu, M Xie, G Haft, DH Sait, M Badger, J Barabote, RD Bradley, B Brettin, TS Brinkac, LM Bruce, D Creasy, T Daugherty, SC Davidsen, TM Deboy, RT Detter, JC Dodson, RJ Durkin, AS Ganapathy, A Gwinn-Giglio, M Han, CS Khouri, H Kiss, H Kothari, SP Madupu, R Nelson, KE Nelson, WC Paulsen, I Penn, K Ren, QH Rosovitz, MJ Selengut, JD Shrivastava, S Sullivan, SA Tapia, R Thompson, LS Watkins, KL Yang, Q Yu, CH Zafar, N Zhou, LW Kuske, CR AF Ward, Naomi L. Challacombe, Jean F. Janssen, Peter H. Henrissat, Bernard Coutinho, Pedro M. Wu, Martin Xie, Gary Haft, Daniel H. Sait, Michelle Badger, Jonathan Barabote, Ravi D. Bradley, Brent Brettin, Thomas S. Brinkac, Lauren M. Bruce, David Creasy, Todd Daugherty, Sean C. Davidsen, Tanja M. DeBoy, Robert T. Detter, J. Chris Dodson, Robert J. Durkin, A. Scott Ganapathy, Anuradha Gwinn-Giglio, Michelle Han, Cliff S. Khouri, Hoda Kiss, Hajnalka Kothari, Sagar P. Madupu, Ramana Nelson, Karen E. Nelson, William C. Paulsen, Ian Penn, Kevin Ren, Qinghu Rosovitz, M. J. Selengut, Jeremy D. Shrivastava, Susmita Sullivan, Steven A. Tapia, Roxanne Thompson, L. Sue Watkins, Kisha L. Yang, Qi Yu, Chunhui Zafar, Nikhat Zhou, Liwei Kuske, Cheryl R. TI Three Genomes from the Phylum Acidobacteria Provide Insight into the Lifestyles of These Microorganisms in Soils SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID 16S RIBOSOMAL-RNA; ACIDIC SPHAGNUM-PEAT; BACTERIAL DIVERSITY; MICROBIAL COMMUNITIES; ESCHERICHIA-COLI; IRON UPTAKE; SP-NOV; SIDEROPHORE BIOSYNTHESIS; PSEUDOMONAS-AERUGINOSA; COPY NUMBER AB The complete genomes of three strains from the phylum Acidobacteria were compared. Phylogenetic analysis placed them as a unique phylum. They share genomic traits with members of the Proteobacteria, the Cyanobacteria, and the Fungi. The three strains appear to be versatile heterotrophs. Genomic and culture traits indicate the use of carbon sources that span simple sugars to more complex substrates such as hemicellulose, cellulose, and chitin. The genomes encode low-specificity major facilitator superfamily transporters and high-affinity ABC transporters for sugars, suggesting that they are best suited to low-nutrient conditions. They appear capable of nitrate and nitrite reduction but not N(2) fixation or denitrification. The genomes contained numerous genes that encode siderophore receptors, but no evidence of siderophore production was found, suggesting that they may obtain iron via interaction with other microorganisms. The presence of cellulose synthesis genes and a large class of novel high-molecular-weight excreted proteins suggests potential traits for desiccation resistance, biofilm formation, and/or contribution to soil structure. Polyketide synthase and macrolide glycosylation genes suggest the production of novel antimicrobial compounds. Genes that encode a variety of novel proteins were also identified. The abundance of acidobacteria in soils worldwide and the breadth of potential carbon use by the sequenced strains suggest significant and previously unrecognized contributions to the terrestrial carbon cycle. Combining our genomic evidence with available culture traits, we postulate that cells of these isolates are long-lived, divide slowly, exhibit slow metabolic rates under low-nutrient conditions, and are well equipped to tolerate fluctuations in soil hydration. C1 [Challacombe, Jean F.; Xie, Gary; Barabote, Ravi D.; Brettin, Thomas S.; Bruce, David; Detter, J. Chris; Han, Cliff S.; Kiss, Hajnalka; Tapia, Roxanne; Thompson, L. Sue; Kuske, Cheryl R.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Ward, Naomi L.; Wu, Martin; Haft, Daniel H.; Badger, Jonathan; Bradley, Brent; Brinkac, Lauren M.; Creasy, Todd; Daugherty, Sean C.; Davidsen, Tanja M.; DeBoy, Robert T.; Dodson, Robert J.; Durkin, A. Scott; Ganapathy, Anuradha; Gwinn-Giglio, Michelle; Khouri, Hoda; Kothari, Sagar P.; Madupu, Ramana; Nelson, Karen E.; Nelson, William C.; Paulsen, Ian; Penn, Kevin; Ren, Qinghu; Rosovitz, M. J.; Selengut, Jeremy D.; Shrivastava, Susmita; Sullivan, Steven A.; Watkins, Kisha L.; Yang, Qi; Yu, Chunhui; Zafar, Nikhat; Zhou, Liwei] Inst Genom Res, Rockville, MD 20850 USA. [Ward, Naomi L.] Univ Maryland, Ctr Marine Biotechnol, Baltimore, MD 21202 USA. [Challacombe, Jean F.; Xie, Gary; Barabote, Ravi D.; Brettin, Thomas S.; Bruce, David; Detter, J. Chris; Han, Cliff S.; Kiss, Hajnalka; Tapia, Roxanne; Thompson, L. Sue] Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA. [Janssen, Peter H.; Sait, Michelle] Univ Melbourne, Dept Microbiol & Immunol, Melbourne, Vic 3010, Australia. [Janssen, Peter H.] AgResearch Ltd, Palmerston North 4442, New Zealand. [Henrissat, Bernard; Coutinho, Pedro M.] Univ Aix Marseille 1, CNRS, AFMB, Marseille, France. [Henrissat, Bernard; Coutinho, Pedro M.] Univ Aix Marseille 2, CNRS, AFMB, F-13284 Marseille 07, France. RP Kuske, CR (reprint author), Los Alamos Natl Lab, Biosci Div, M888, Los Alamos, NM 87545 USA. EM kuske@lanl.gov RI Barabote, Ravi/B-8727-2011; Henrissat, Bernard/J-2475-2012; Paulsen, Ian/K-3832-2012; Nelson, William/E-9263-2016; Barabote, Ravi/C-1299-2017 OI Janssen, Peter/0000-0002-1022-3502; xie, gary/0000-0002-9176-924X; Paulsen, Ian/0000-0001-9015-9418; Nelson, William/0000-0002-1873-3929; Barabote, Ravi/0000-0002-0403-246X FU U.S. DOE Microbial Genome Program [W-7405-ENG-36]; NSF Microbial Genome Sequencing Program [0237365, EPS-0447681]; U.S. DOE Joint Genome Institute; The Institute for Genomic Research FX This work was supported by the U.S. DOE Microbial Genome Program (under U. S. DOE contract W-7405-ENG-36), the NSF Microbial Genome Sequencing Program (under NSF award 0237365), the U.S. DOE Joint Genome Institute, and The Institute for Genomic Research. Support for N.L.W. was also provided under NSF award EPS-0447681. NR 94 TC 250 Z9 902 U1 16 U2 172 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 APR 1 PY 2009 VL 75 IS 7 BP 2046 EP 2056 DI 10.1128/AEM.02294-08 PG 11 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 424EX UT WOS:000264549400029 PM 19201974 ER PT J AU Luo, ZC Yuan, ZJ Tully, M Pan, YT Du, CW AF Luo, Zhongchi Yuan, Zhijia Tully, Melissa Pan, Yingtian Du, Congwu TI Quantification of cocaine-induced cortical blood flow changes using laser speckle contrast imaging and Doppler optical coherence tomography SO APPLIED OPTICS LA English DT Article; Proceedings Paper CT Biomedical Topical Meeting CY MAR 16-20, 2008 CL St Petersburg, FL SP Opt Soc Amer ID RAT SOMATOSENSORY CORTEX; FUNCTIONAL ACTIVATION; GLUCOSE-UTILIZATION; CEREBRAL-ISCHEMIA; BOLD SIGNALS; BRAIN; ISOFLURANE; NEWBORN; METABOLISM; ANESTHESIA AB We present a dual-imaging technique combining laser speckle contrast imaging and spectral-domain Doppler optical coherence tomography to enable quantitative characterization of local cerebral blood flow (CBF) changes in rat cortex in response to drug stimulus (e.g., cocaine) at high spatiotemporal resolutions. To examine the utility of this new technique, animal experiments were performed to study the influences of anesthetic regimes (e.g., isoflurane, alpha-chloralose) on the pharmadynamic effects of acute cocaine challenge. The results showed that cocaine-evoked CBF patterns (e.g., increases in a-chloralose and decreases in isoflurane regimes) were quantitatively characterized, thus rendering it a potentially useful tool for imaging studies of brain functions. (C) 2009 Optical Society of America C1 [Luo, Zhongchi; Yuan, Zhijia; Tully, Melissa; Pan, Yingtian] SUNY Stony Brook, Dept Biomed Engn, Stony Brook, NY 11794 USA. [Du, Congwu] SUNY Stony Brook, Dept Anesthesiol, Stony Brook, NY 11794 USA. [Luo, Zhongchi; Du, Congwu] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. RP Luo, ZC (reprint author), SUNY Stony Brook, Dept Biomed Engn, Stony Brook, NY 11794 USA. EM yingtian.pan@sunysb.edu; congwu@bnl.gov RI yuan, zhijia/F-4314-2011 FU NIDA NIH HHS [K25-DA021200]; NIDDK NIH HHS [2R01-DK059265] NR 31 TC 12 Z9 12 U1 0 U2 3 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD APR 1 PY 2009 VL 48 IS 10 BP D247 EP D255 DI 10.1364/AO.48.00D247 PG 9 WC Optics SC Optics GA 436VH UT WOS:000265443700029 PM 19340115 ER PT J AU Mourant, JR Powers, TM Bocklage, TJ Greene, HM Dorin, MH Waxman, AG Zsemlye, MM Smith, HO AF Mourant, Judith R. Powers, Tamara M. Bocklage, Therese J. Greene, Heather M. Dorin, Maxine H. Waxman, Alan G. Zsemlye, Meggan M. Smith, Harriet O. TI In vivo light scattering for the detection of cancerous and precancerous lesions of the cervix SO APPLIED OPTICS LA English DT Article; Proceedings Paper CT Biomedical Topical Meeting CY MAR 16-20, 2008 CL St Petersburg, FL SP Opt Soc Amer ID OPTICAL-DETECTION SYSTEM; REFLECTANCE SPECTROSCOPY; CELLS; TISSUE; FLUORESCENCE; COLPOSCOPY; TREAT; SEE AB A noninvasive optical diagnostic system for detection of cancerous and precancerous lesions of the cervix was evaluated in vivo. The optical system included a fiber-optic probe designed to measure polarized and unpolarized light transport properties of a small volume of tissue. An algorithm for diagnosing tissue based on the optical measurements was developed that used four optical properties, three of which were related to light scattering properties and the fourth of which was related to hemoglobin concentration. A sensitivity of similar to 77% and specificities in the mid 60% range were obtained for separating high grade squamous intraepithelial lesions and cancer from other pathologies and normal tissue. The use of different cross-validation methods in algorithm development is analyzed, and the relative difficulties of diagnosing certain pathologies are assessed. Furthermore, the robustness of the optical system for use by different doctors and to changes in fiber-optic probe are also assessed, and potential improvements in the optical system are discussed. (C) 2009 Optical Society of America C1 [Mourant, Judith R.; Powers, Tamara M.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Bocklage, Therese J.] Univ New Mexico, Hlth Sci Ctr, Dept Pathol, Albuquerque, NM 87131 USA. [Greene, Heather M.] Univ New Mexico, Hlth Sci Ctr, Dept Obstet & Gynecol, Div Gynecol Oncol, Albuquerque, NM 87131 USA. [Smith, Harriet O.] Albert Einstein Coll Med, Dept Obstet & Gynecol & Womens Hlth, Div Gynecol Oncol, Bronx, NY 10461 USA. [Smith, Harriet O.] Montefiore Med Ctr, Bronx, NY 10461 USA. RP Mourant, JR (reprint author), Los Alamos Natl Lab, Biosci Div, POB 1663,MS E535, Los Alamos, NM 87545 USA. EM jmourant@lanl.gov FU NCI NIH HHS [R01 CA071898, R01 CA071898-10A1] NR 27 TC 22 Z9 22 U1 1 U2 3 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD APR 1 PY 2009 VL 48 IS 10 BP D26 EP D35 DI 10.1364/AO.48.000D26 PG 10 WC Optics SC Optics GA 436VH UT WOS:000265443700005 PM 19340117 ER PT J AU Kowarik, S Gerlach, A Sellner, S Cavalcanti, L Konovalov, O Schreiber, F AF Kowarik, Stefan Gerlach, Alexander Sellner, Stefan Cavalcanti, Leide Konovalov, Oleg Schreiber, Frank TI Real-time X-ray diffraction measurements of structural dynamics and polymorphism in diindenoperylene growth SO APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING LA English DT Article ID MOLECULAR-BEAM DEPOSITION; ORGANIC THIN-FILMS; THERMAL-STABILITY; PENTACENE; MORPHOLOGY; LAYER; SIO2; DIP AB We investigate the temperature-dependent polymorphs in diindenoperylene (DIP) thin films on sapphire and silicon oxide substrates using in situ X-ray scattering. On both substrates the DIP unit cell is very similar to the high-temperature phase of bulk crystals, with the substrate stabilising this structure well below the temperature where a phase transition to a low-temperature phase is observed in the bulk. Lowering the substrate temperature for DIP growth leads to a change in molecular orientation and an additional polymorph appears, with both these effects being more pronounced on sapphire as compared to silicon oxide. Using real-time reciprocal-space mapping we observe an expansion of the in-plane unit cell during DIP growth, which may be due to changes in molecular orientation as well as strain in the first monolayers. C1 [Kowarik, Stefan; Gerlach, Alexander; Sellner, Stefan; Schreiber, Frank] Inst Angew Phys, D-72076 Tubingen, Germany. [Cavalcanti, Leide; Konovalov, Oleg] European Synchrotron Radiat Facil, F-38043 Grenoble 9, France. RP Kowarik, S (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM stefan.kowarik@berkeley.edu RI Kowarik, Stefan/B-3724-2009; Cavalcanti, Leide/B-1703-2013; Kowarik, Stefan/P-5059-2014; Schreiber, Frank/J-3311-2014; Kowarik, Stefan/C-7676-2014 OI Cavalcanti, Leide/0000-0002-0408-0058; Schreiber, Frank/0000-0003-3659-6718; FU EPSRC; DFG FX We want to thank J. Pflaum, B. Nickel and S. Schiefer for valuable discussions as well as the EPSRC and DFG for financial support. NR 30 TC 23 Z9 23 U1 0 U2 14 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0947-8396 J9 APPL PHYS A-MATER JI Appl. Phys. A-Mater. Sci. Process. PD APR PY 2009 VL 95 IS 1 BP 233 EP 239 DI 10.1007/s00339-008-5012-2 PG 7 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 409DE UT WOS:000263485600035 ER PT J AU Tauschwitz, A Novikov, VG Tauschwitz, A Rosmej, FB Abdallah, J Onkels, E Jacoby, J Maruhn, JA AF Tauschwitz, An. Novikov, V. G. Tauschwitz, A. Rosmej, F. B. Abdallah, J. Onkels, E. Jacoby, J. Maruhn, J. A. TI Intense ion beams as a tool for opacity measurements in warm dense matter SO APPLIED PHYSICS B-LASERS AND OPTICS LA English DT Article AB Opacity measurements in warm dense matter (WDM) provide a valuable benchmark for the diverging theoretical models in this regime. Heating of thin foils with intense heavy-ion beams allows one to create isolated samples of warm dense matter suitable for experimental determination of frequency-dependent opacities. A prerequisite for the measurements is the isothermal expansion of the heated foil. Hydrodynamic simulations predict that this condition is fulfilled. The analysis shows that existing ion-beam accelerators are capable to contribute to this field of research. C1 [Tauschwitz, An.; Jacoby, J.; Maruhn, J. A.] Univ Frankfurt, Frankfurt, Germany. [Novikov, V. G.] Keldysh Inst Appl Math, Moscow, Russia. [Tauschwitz, A.; Onkels, E.] Gesell Schwerionenforsch mbH, D-6100 Darmstadt, Germany. [Rosmej, F. B.] Univ Paris 06, Paris, France. [Rosmej, F. B.] Ecole Polytech, PAPD, Ctr Rech, LULI, Palaiseau, France. [Abdallah, J.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Tauschwitz, A (reprint author), Univ Frankfurt, Frankfurt, Germany. EM an.tauschwitz@gsi.de NR 6 TC 3 Z9 3 U1 0 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0946-2171 J9 APPL PHYS B-LASERS O JI Appl. Phys. B-Lasers Opt. PD APR PY 2009 VL 95 IS 1 BP 13 EP 16 DI 10.1007/s00340-009-3444-9 PG 4 WC Optics; Physics, Applied SC Optics; Physics GA 422XM UT WOS:000264461000002 ER PT J AU Sullivan, JP Tornga, SR Rawool-Sullivan, MW AF Sullivan, John P. Tornga, Shawn R. Rawool-Sullivan, Mohini W. TI Extended radiation source imaging with a prototype Compton imager SO APPLIED RADIATION AND ISOTOPES LA English DT Article DE Compton scattering; Nuclear imaging; Compton imaging; Algorithms; Extended sources; Silicon ID MAXIMUM-LIKELIHOOD; DETECTORS; PERFORMANCE; TELESCOPES AB This paper reports results from a prototype Compton imager (PCI) which consists of three planes of silicon pixel detectors as a scattering detector followed by an array of CsI(TI) crystals as an absorbing detector. The CsI(TI) array is mounted directly behind the silicon detectors. Simple back-projection algorithms are not sufficient to resolve extended shapes, but iterative algorithms provide the necessary de-convolution. List-mode maximum likelihood expectation maximization (LM-MLEM) is an iterative algorithm that reconstructs the most probable source distribution for a given data set. LM-MLEM attempts to reconstruct an image by finding successive approximations to the true source data. Each data set imaged is different, but the number of iterations required for convergence is typically 10-30 for the PCI. In this paper, reconstructed images of point and extended sources using measured PCI data are presented. Data are corroborated using GEANT4 simulations. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Sullivan, John P.] Los Alamos Natl Lab, MS B244, Los Alamos, NM 87545 USA. [Tornga, Shawn R.] Los Alamos Natl Lab, MS D466, Los Alamos, NM 87544 USA. [Rawool-Sullivan, Mohini W.] Los Alamos Natl Lab, MS B230, Los Alamos, NM 87544 USA. RP Sullivan, JP (reprint author), Los Alamos Natl Lab, MS B244, POB 1663, Los Alamos, NM 87545 USA. EM sullivan@lanl.gov OI Rawool-Sullivan, Mohini/0000-0002-3001-3318; Sullivan, John/0000-0002-9067-1531 NR 22 TC 3 Z9 3 U1 0 U2 4 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 APR PY 2009 VL 67 IS 4 BP 617 EP 624 DI 10.1016/j.apradiso.2008.11.007 PG 8 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 420QY UT WOS:000264305500023 PM 19119015 ER PT J AU Nowak-Lovato, KL Rector, KD AF Nowak-Lovato, K. L. Rector, K. D. TI Targeted Surface-Enhanced Raman Scattering Nanosensors for Whole-Cell pH Imagery SO APPLIED SPECTROSCOPY LA English DT Article DE Surface-enhanced Raman scattering; SERS; Biosensor; pH sensor; Endosomes; Endocytosis; Fc epsilon RI ID SELF-ASSEMBLED MONOLAYERS; SINGLE-MOLECULE; SPECTROSCOPY; SERS; DEGRANULATION; PARTICLES; COMPLEXES; RELEASE; SPECTRA; BINDING AB In this paper the ability to develop a gold-core, silver-shell surface-enhanced Raman scattering (SERS) nanosensor that has both a targeting component as well as a sensing component is demonstrated. The nanosensor is capable of targeting through the Fc epsilon RI receptor-mediated endocytic pathway due to the adsorption of 2,4-epsilon-clinitrophenol-L-lysine (DNP) ligand on the nanoparticle surface. The nanosensor is also sensitive to pH changes in the endorcytic vesicle within the pH range of 4.5-7.5 by 4-mercaptopyridine (4-MPy) adsorbed to (he particle surface. The targeting and sensing moieties do not significantly interfere with each other's function. The sensing component of the nanosensor is calibrated with in vivo measurements of rat basophil leukemia (RBL-2H3) cells in standard buffer solutions using the ionophore nigericin, which serves to equilibrate the external [H(+)] concentration with that of the cell compartments. The targeting of the nanosensor is verified with a beta-hexosaminidase assay. It is also demonstrated that the targeted nanosensor is capable of making accurate cellular pH measurements in RBL-2H3 cells, out to ninety minutes after targeted nanosensor addition. Whole-cell, time-lapse, hyperspectral image cubes demonstrating endocytic vesicular pH changes during Fc epsilon RI receptor mediated endocytosis are demonstrated. C1 [Nowak-Lovato, K. L.; Rector, K. D.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Nowak-Lovato, K. L.] Univ New Mexico, Sch Med, Dept Pathol, Albuquerque, NM 87131 USA. RP Rector, KD (reprint author), Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. EM kdr@lanl.gov RI Rector, Kirk/C-3584-2011 FU U.S. Department of Energy [DE-RP52-05NA25396]; Los Alamos National Laboratory Laboratory Directed Research and Development [20080001] FX This manuscript has been authored by Los Alamos, National Security under Contract No. DE-RP52-05NA25396 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 (to so, for United States Government purposes. The authors, wish to acknowledge the Los Alamos National Laboratory Laboratory Directed Research and Development grant 20080001DR for support of this project. We would also like to thank Prof. Bridget Wilson, Prof. Janet Oliver. Prof. Diane Lidke, and Prof. Keith Lidke (University of New Mexico) for their advice and input in the current research. We would also like to thank Dr. Stephen Joyce (Los Alamos National Laboratory) for his SEIM imaging experiments. Finally. we thank Prof. Steven Eniory and Prof.. Chris Daley (Western Washington University) for useful discussions. NR 40 TC 19 Z9 19 U1 3 U2 36 PU SOC APPLIED SPECTROSCOPY PI FREDERICK PA 201B BROADWAY ST, FREDERICK, MD 21701 USA SN 0003-7028 J9 APPL SPECTROSC JI Appl. Spectrosc. PD APR PY 2009 VL 63 IS 4 BP 387 EP 395 PG 9 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA 430IL UT WOS:000264982700003 PM 19366503 ER PT J AU Dieckmann, J McKenney, K Brodrick, J AF Dieckmann, John McKenney, Kurtis Brodrick, James TI Air Purification to Redcuce OA SO ASHRAE JOURNAL LA English DT Editorial Material C1 [Dieckmann, John; McKenney, Kurtis] TIAX LLC, Cambridge, MA USA. [Brodrick, James] US DOE, Bldg Technol Program, Washington, DC USA. RP Dieckmann, J (reprint author), TIAX LLC, Cambridge, MA USA. NR 12 TC 1 Z9 1 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 APR PY 2009 VL 51 IS 4 BP 68 EP 70 PG 3 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 429VW UT WOS:000264949200016 ER PT J AU Foley, RJ Matheson, T Blondin, S Chornock, R Silverman, JM Challis, P Clocchiatti, A Filippenko, AV Kirshner, RP Leibundgut, B Sollerman, J Spyromilio, J Tonry, JL Davis, TM Garnavich, PM Jha, SW Krisciunas, K Li, W Pignata, G Rest, A Riess, AG Schmidt, BP Smith, RC Stubbs, CW Tucker, BE Wood-Vasey, WM AF Foley, R. J. Matheson, T. Blondin, S. Chornock, R. Silverman, J. M. Challis, P. Clocchiatti, A. Filippenko, A. V. Kirshner, R. P. Leibundgut, B. Sollerman, J. Spyromilio, J. Tonry, J. L. Davis, T. M. Garnavich, P. M. Jha, S. W. Krisciunas, K. Li, W. Pignata, G. Rest, A. Riess, A. G. Schmidt, B. P. Smith, R. C. Stubbs, C. W. Tucker, B. E. Wood-Vasey, W. M. TI SPECTROSCOPY OF HIGH-REDSHIFT SUPERNOVAE FROM THE ESSENCE PROJECT: THE FIRST FOUR YEARS SO ASTRONOMICAL JOURNAL LA English DT Article DE distance scale; galaxies: distances and redshifts; supernovae: general ID LIGHT-CURVE SHAPES; IA SUPERNOVAE; LEGACY SURVEY; DARK ENERGY; SPECTRA; SPECTROGRAPH; TELESCOPE; CONSTRAINTS; CLASSIFICATION; PHOTOMETRY AB We present the results of spectroscopic observations from the ESSENCE high-redshift supernova (SN) survey during its first four years of operation. This sample includes spectra of all SNe Ia whose light curves were presented by Miknaitis et al. and used in the cosmological analyses of Davis et al. and Wood-Vasey et al. The sample represents 273 hr of spectroscopic observations with 6.5-10 m class telescopes of objects detected and selected for spectroscopy by the ESSENCE team. We present 184 spectra of 156 objects. Combining this sample with that of Matheson et al., we have a total sample of 329 spectra of 274 objects. From this, we are able to spectroscopically classify 118 Type Ia SNe. As the survey has matured, the efficiency of classifying SNe Ia has remained constant while we have observed both higher-redshift SNe Ia and SNe Ia farther from maximum brightness. Examining the subsample of SNe Ia with host-galaxy redshifts shows that redshifts derived from only the SN Ia spectra are consistent with redshifts found from host-galaxy spectra. Moreover, the phases derived from only the SN Ia spectra are consistent with those derived from light-curve fits. By comparing our spectra to local templates, we find that the rate of objects similar to the overluminous SN 1991T and the underluminous SN 1991bg in our sample are consistent with that of the local sample. We do note, however, that we detect no object spectroscopically or photometrically similar to SN 1991bg. Although systematic effects could reduce the high-redshift rate we expect based on the low-redshift surveys, it is possible that SN 1991bg-like SNe Ia are less prevalent at high redshift. C1 [Foley, R. J.; Chornock, R.; Silverman, J. M.; Filippenko, A. V.; Jha, S. W.; Li, W.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Foley, R. J.; Blondin, S.; Challis, P.; Kirshner, R. P.; Stubbs, C. W.; Wood-Vasey, W. M.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Matheson, T.] Natl Opt Astron Observ, Tucson, AZ 85719 USA. [Blondin, S.; Leibundgut, B.; Spyromilio, J.] European So Observ, D-85748 Garching, Germany. [Clocchiatti, A.] Pontificia Univ Catolica Chile, Dept Astron & Astrofis, Santiago 22, Chile. [Sollerman, J.] Univ Copenhagen, Niels Bohr Inst, Dark Cosmol Ctr, DK-2100 Copenhagen O, Denmark. [Sollerman, J.; Davis, T. M.] Stockholm Univ, Dept Astron, S-10691 Stockholm, Sweden. [Tonry, J. L.] Univ Hawaii, Inst Astron, Honolulu, HI 96822 USA. [Davis, T. M.] Univ Queensland, Dept Phys, Brisbane, Qld 4072, Australia. [Garnavich, P. M.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Jha, S. W.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Jha, S. W.] Stanford Linear Accelerator Ctr, Kavli Inst Particle Astrophys & Cosmol, Menlo Pk, CA 94025 USA. [Krisciunas, K.] Texas A&M Univ, Dept Phys, College Stn, TX 77843 USA. [Pignata, G.] Univ Chile, Dept Astron, Santiago, Chile. [Rest, A.; Stubbs, C. W.] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. [Rest, A.; Smith, R. C.] Cerro Tololo Interamer Observ, Natl Opt Astron Observ, La Serena, Chile. [Riess, A. G.] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Riess, A. G.] Johns Hopkins Univ, Baltimore, MD 21218 USA. [Schmidt, B. P.; Tucker, B. E.] Australian Natl Univ, Mt Stromlo & Siding Spring Observ, Res Sch Astron & Astrophys, Weston, PO 2611, Australia. [Wood-Vasey, W. M.] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. RP Foley, RJ (reprint author), Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. EM rfoley@cfa.harvard.edu RI Stubbs, Christopher/C-2829-2012; Davis, Tamara/A-4280-2008; OI Stubbs, Christopher/0000-0003-0347-1724; Davis, Tamara/0000-0002-4213-8783; Schmidt, Brian/0000-0001-6589-1287; Sollerman, Jesper/0000-0003-1546-6615 FU US National Science Foundation [AST-0443378, AST-0507475]; Danish National Research Foundation; FONDECYT [1051061, 3070034]; FONDAP [15010003]; Bicentenario de Ciencia y Tecnologia de CONICYT and ICM de MIDEPLAN [P06-045-F]; NSF [AST-0307894, AST-0607485]; NASA Long-Term Astrophysics [NAG5-9364]; NASA/HST [GO-09860]; Stanford Linear Accelerator Center; Kavli Institute for Theoretical Physics [AST-0606772, PHY-9907949] FX The ESSENCE survey is supported by the US National Science Foundation through grants AST-0443378 and AST-0507475. The Dark Cosmology Centre is funded by the Danish National Research Foundation. A. C. acknowledges support from grants FONDECYT 1051061, FONDAP 15010003, and P06-045-F (Millennium Center for Supernova Science funded by programs Bicentenario de Ciencia y Tecnologia de CONICYT and ICM de MIDEPLAN). A. V. F.'s supernova group at U. C. Berkeley has been supported by many NSF grants over the past two decades, most recently AST-0307894 and AST-0607485. P. M. G. is supported in part by NASA Long-Term Astrophysics Grant NAG5-9364 and NASA/HST Grant GO-09860. S.J. thanks the Stanford Linear Accelerator Center for support via a Panofsky Fellowship. R. P. K. enjoys support from AST-0606772 and PHY-9907949 to the Kavli Institute for Theoretical Physics. G. P. acknowledges support by the Proyecto FONDECYT 3070034. A. R. thanks the NOAO Goldberg fellowship program for its support. NR 56 TC 24 Z9 24 U1 1 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0004-6256 J9 ASTRON J JI Astron. J. PD APR PY 2009 VL 137 IS 4 BP 3731 EP 3742 DI 10.1088/0004-6256/137/4/3731 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 417AF UT WOS:000264046100001 ER PT J AU Siringo, G Kreysa, E Kovacs, A Schuller, F Weiss, A Esch, W Gemund, HP Jethava, N Lundershausen, G Colin, A Gusten, R Menten, KM Beelen, A Bertoldi, F Beeman, JW Haller, EE AF Siringo, G. Kreysa, E. Kovacs, A. Schuller, F. Weiss, A. Esch, W. Gemuend, H. -P. Jethava, N. Lundershausen, G. Colin, A. Guesten, R. Menten, K. M. Beelen, A. Bertoldi, F. Beeman, J. W. Haller, E. E. TI The Large APEX BOlometer CAmera LABOCA SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE instrumentation: detectors; instrumentation: photometers; submillimeter; methods: observational ID MILLIMETER OBSERVATIONS; STAR-FORMATION; DUST EMISSION; MU-M; SUBMILLIMETER; CONTINUUM; GALAXIES; QUASARS; CLOUD; SCUBA AB The Large APEX BOlometer CAmera, LABOCA, has been commissioned for operation as a new facility instrument at the Atacama Pathfinder Experiment 12m submillimeter telescope. This new 295-bolometer total power camera, operating in the 870 mu m atmospheric window, combined with the high efficiency of APEX and the excellent atmospheric transmission at the site, offers unprecedented capability in mapping submillimeter continuum emission for a wide range of astronomical purposes. C1 [Siringo, G.; Kreysa, E.; Kovacs, A.; Schuller, F.; Weiss, A.; Esch, W.; Gemuend, H. -P.; Lundershausen, G.; Guesten, R.; Menten, K. M.] Max Planck Inst Radioastron, D-53121 Bonn, Germany. [Jethava, N.] Natl Inst Stand & Technol, Boulder, CO 80305 USA. [Colin, A.] CSIC UC, Inst Fis Cantabria, Santander 39005, Spain. [Beelen, A.] Univ Paris 11, Inst Astrophys Spatiale, F-91405 Orsay, France. [Bertoldi, F.] Univ Bonn, Argelander Inst Astron, D-53121 Bonn, Germany. [Beeman, J. W.; Haller, E. E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Siringo, G (reprint author), Max Planck Inst Radioastron, Hugel 69, D-53121 Bonn, Germany. EM gsiringo@mpifr-bonn.mpg.de RI Kovacs, Attila/C-1171-2010 OI Kovacs, Attila/0000-0001-8991-9088 NR 38 TC 186 Z9 186 U1 0 U2 1 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 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD APR PY 2009 VL 497 IS 3 BP 945 EP 962 DI 10.1051/0004-6361/200811454 PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 434ND UT WOS:000265280500027 ER PT J AU Guan, XY Gammie, CF Simon, JB Johnson, BM AF Guan, Xiaoyue Gammie, Charles F. Simon, Jacob B. Johnson, Bryan M. TI LOCALITY OF MHD TURBULENCE IN ISOTHERMAL DISKS SO ASTROPHYSICAL JOURNAL LA English DT Article DE accretion, accretion disks; MHD ID ACCRETION DISKS; MAGNETOROTATIONAL INSTABILITY; MAGNETIC-FIELD; SIMULATIONS; TRANSPORT; FLOWS; SYSTEMS; SCHEME; CORONA; CODE AB We numerically evolve turbulence driven by the magnetorotational instability (MRI) in a three-dimensional, unstratified shearing box and study its structure using two-point correlation functions. We confirm Fromang and Papaloizou's result that shearing box models with zero net magnetic flux are not converged; the dimensionless shear stress alpha is proportional to the grid scale. We find that the two-point correlation of B shows that it is composed of narrow filaments that are swept back by differential rotation into a trailing spiral. The correlation lengths along each of the correlation function principal axes decrease monotonically with the grid scale. For mean azimuthal field models, which we argue are more relevant to astrophysical disks than the zero net field models, we find that: alpha increases weakly with increasing resolution at fixed box size; alpha increases slightly as the box size is increased; alpha increases linearly with net field strength, confirming earlier results; the two-point correlation function of the magnetic field is resolved and converged, and is composed of narrow filaments swept back by the shear; the major axis of the two-point increases slightly as the box size is increased; these results are code independent, based on a comparison of ATHENA and ZEUS runs. The velocity, density, and magnetic fields decorrelate over scales larger than similar to H, as do the dynamical terms in the magnetic energy evolution equations. We conclude that MHD turbulence in disks is localized, subject to the limitations imposed by the absence of vertical stratification, the use of an isothermal equation of state, finite box size, finite run time, and finite resolution. C1 [Guan, Xiaoyue; Gammie, Charles F.] Univ Illinois, Dept Astron, Urbana, IL 61801 USA. [Gammie, Charles F.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Simon, Jacob B.] Univ Virginia, Dept Astron, Charlottesville, VA 22904 USA. [Johnson, Bryan M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Guan, XY (reprint author), Univ Illinois, Dept Astron, 1002 W Green St, Urbana, IL 61801 USA. OI Gammie, Charles /0000-0001-7451-8935 FU National Science Foundation [AST 00-93091, PHY 02-05155, AST 0709246]; Sony Faculty Fellowship; University Scholar appointment; Richard and Margaret Romano Professorial Scholarship FX This work was supported by the National Science Foundation under grants AST 00-93091, PHY 02-05155, and AST 0709246, and a Sony Faculty Fellowship, a University Scholar appointment, and a Richard and Margaret Romano Professorial Scholarship to C. F. G. Portions of this work were completed while C. F. G. was a member at the Institute for Advanced Study (2006-2007). The authors are grateful to Shane Davis, Peter Goldreich, Stu Shapiro, Fred Lamb, Friedrich Meyer, and John Hawley for discussions. NR 31 TC 72 Z9 72 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 1 PY 2009 VL 694 IS 2 BP 1010 EP 1018 DI 10.1088/0004-637X/694/2/1010 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 424AW UT WOS:000264538900022 ER PT J AU Poznanski, D Butler, N Filippenko, AV Ganeshalingam, M Li, WD Bloom, JS Chornock, R Foley, RJ Nugent, PE Silverman, JM Cenko, SB Gates, EL Leonard, DC Miller, AA Modjaz, M Serduke, FJD Smith, N Swift, BJ Wong, DS AF Poznanski, Dovi Butler, Nathaniel Filippenko, Alexei V. Ganeshalingam, Mohan Li, Weidong Bloom, Joshua S. Chornock, Ryan Foley, Ryan J. Nugent, Peter E. Silverman, Jeffrey M. Cenko, S. Bradley Gates, Elinor L. Leonard, Douglas C. Miller, Adam A. Modjaz, Maryam Serduke, Frank J. D. Smith, Nathan Swift, Brandon J. Wong, Diane S. TI IMPROVED STANDARDIZATION OF TYPE II-P SUPERNOVAE: APPLICATION TO AN EXPANDED SAMPLE SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmology: observations; distance scale; dust, extinction; supernovae: general ID QUANTITATIVE SPECTROSCOPIC ANALYSIS; IA SUPERNOVAE; PHOTOSPHERE METHOD; INFRARED OBSERVATIONS; LUMINOUS SUPERNOVA; OPTICAL PHOTOMETRY; DARK ENERGY; SN 2005CS; DISTANCE; GALAXY AB In the epoch of precise and accurate cosmology, cross-confirmation using a variety of cosmographic methods is paramount to circumvent systematic uncertainties. Owing to progenitor histories and explosion physics differing from those of Type Ia supernovae (SNe Ia), Type II-plateau supernovae (SNe II-P) are unlikely to be affected by evolution in the same way. Based on a new analysis of 17 SNe II-P, and on an improved methodology, we find that SNe II-P are good standardizable candles, almost comparable to SNe Ia. We derive a tight Hubble diagram with a dispersion of 10% in distance, using the simple correlation between luminosity and photospheric velocity introduced by Hamuy and Pinto. We show that the descendent method of Nugent et al. can be further simplified and that the correction for dust extinction has low statistical impact. We find that our SN sample favors, on average, a very steep dust law with total to selective extinction R(V) < 2. Such an extinction law has been recently inferred for many SNe Ia. Our results indicate that a distance measurement can be obtained with a single spectrum of a SN II-P during the plateau phase combined with sparse photometric measurements. C1 [Poznanski, Dovi; Butler, Nathaniel; Filippenko, Alexei V.; Ganeshalingam, Mohan; Li, Weidong; Bloom, Joshua S.; Chornock, Ryan; Foley, Ryan J.; Silverman, Jeffrey M.; Cenko, S. Bradley; Miller, Adam A.; Modjaz, Maryam; Serduke, Frank J. D.; Smith, Nathan; Wong, Diane S.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Foley, Ryan J.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Nugent, Peter E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Gates, Elinor L.] Univ Calif Santa Cruz, Lick Observ, Mt Hamilton, CA 95140 USA. [Leonard, Douglas C.] San Diego State Univ, Dept Astron, San Diego, CA 92182 USA. [Swift, Brandon J.] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. RP Poznanski, D (reprint author), Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. EM dovi@berkeley.edu NR 95 TC 75 Z9 75 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 1 PY 2009 VL 694 IS 2 BP 1067 EP 1079 DI 10.1088/0004-637X/694/2/1067 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 424AW UT WOS:000264538900027 ER PT J AU Galametz, A Stern, D Eisenhardt, PRM Brodwin, M Brown, MJI Dey, A Gonzalez, AH Jannuzi, BT Moustakas, LA Stanford, SA AF Galametz, Audrey Stern, Daniel Eisenhardt, Peter R. M. Brodwin, Mark Brown, Michael J. I. Dey, Arjun Gonzalez, Anthony H. Jannuzi, Buell T. Moustakas, Leonidas A. Stanford, S. Adam TI THE COSMIC EVOLUTION OF ACTIVE GALACTIC NUCLEI IN GALAXY CLUSTERS SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies: active; galaxies: clusters: general; galaxies: evolution; infrared: galaxies; radio continuum: galaxies; X-rays: galaxies ID DUST-OBSCURED GALAXIES; IRAC SHALLOW SURVEY; QSO REDSHIFT SURVEY; X-RAY SURVEY; LUMINOSITY FUNCTION; RADIO GALAXIES; ENERGY-DISTRIBUTIONS; LARGE POPULATION; SKY SURVEY; 1.4 GHZ AB We present the surface density of luminous active galactic nuclei (AGNs) associated with a uniformly selected galaxy cluster sample identified in the 8.5 deg(2) Bootes field of the NOAO Deep Wide-Field Survey. The clusters are distributed over a large range of redshift (0 < z < 1.5), and we identify AGN using three different selection criteria: mid-IR color, radio luminosity, and X-ray luminosity. Relative to the field, we note a clear overdensity of the number of AGNs within 0.5 Mpc of the cluster centers at z > 0.5. The amplitude of this AGN overdensity increases with redshift. Although there are significant differences between the AGN populations probed by each selection technique, the rise in cluster AGN surface density generally increases more steeply than that of field quasars. In particular, X-ray-selected AGNs are at least 3 times more prevalent in clusters at 1 < z < 1.5 compared to clusters at 0.5 < z < 1. This effect is stronger than can be explained by the evolving median richness of our cluster sample. We thus confirm the existence of a Butcher-Oemler-type effect for AGN in galaxy clusters, with the number of AGNs in clusters increasing with redshift. C1 [Galametz, Audrey; Stern, Daniel; Eisenhardt, Peter R. M.; Moustakas, Leonidas A.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Galametz, Audrey] European So Observ, D-85748 Garching, Germany. [Galametz, Audrey] Observ Astron, F-67000 Strasbourg, France. [Brodwin, Mark; Dey, Arjun; Jannuzi, Buell T.] Natl Opt Astron Observ, Tucson, AZ 85719 USA. [Brown, Michael J. I.] Monash Univ, Sch Phys, Clayton, Vic 3800, Australia. [Gonzalez, Anthony H.] Univ Florida, Dept Astron, Gainesville, FL 32611 USA. [Stanford, S. Adam] Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. RP Galametz, A (reprint author), CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. EM agalamet@eso.org RI Brown, Michael/B-1181-2015; OI Brown, Michael/0000-0002-1207-9137; Moustakas, Leonidas/0000-0003-3030-2360 FU National Optical Astronomy Observatory (NOAO); National Science Foundation; NSF [AST-0708490]; University of California, Lawrence Livermore National Laboratory [W-7405-Eng-48] FX We thank the anonymous referee whose comments significantly improved this paper. We thank Joel Vernet and Carlos De Breuck for carefully reading the manuscript. This work is partly based on observations made with the Spitzer Space Telescope, which is operated by the Jet Propulsion Laboratory, California Institute of Technology under a contract with NASA. This work made use of data products provided by the NOAO Deep Wide- Field Survey, which is supported by the National Optical Astronomy Observatory (NOAO). NOAO is operated by AURA, Inc., under a cooperative agreement with the National Science Foundation. A. H. G. acknowledges support from NSF grant AST-0708490. SAS's work was performed under the auspices of the U. S. Department of Energy, National Nuclear Security Administration by the University of California, Lawrence Livermore National Laboratory under contract No. W-7405-Eng-48. NR 59 TC 46 Z9 46 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 1 PY 2009 VL 694 IS 2 BP 1309 EP 1316 DI 10.1088/0004-637X/694/2/1309 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 424AW UT WOS:000264538900047 ER PT J AU Buchko, GW Robinson, H Addlagatta, A AF Buchko, Garry W. Robinson, Howard Addlagatta, Anthony TI Structural characterization of the protein cce_0567 from Cyanothece 51142, a metalloprotein associated with nitrogen fixation in the DUF683 family SO BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS LA English DT Article DE Metalloprotein; Nitrogen fixation; Cyanobacteria; Circadian rhythm; Nickel-binding ID FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE; CIRCULAR-DICHROISM; DIAZOTROPHIC CYANOBACTERIUM; NMR; OXYGEN; METABOLISM; STABILITY; EVOLUTION; RHYTHMS; MODEL AB The genomes; of many cyanobacteria contain the sequence for a small protein with a common "Domain of Unknown Function" grouped into the DUF683 protein family. While the biological function of DUF683 is still not known, their genomic location within nitrogen fixation clusters suggests that DUF683 proteins may play a role in the process. The diurnal cyanobacterium Cyanothece sp. PCC 51142 contains a gene for a protein that falls into the DUF683 family, cce_0567 (78 aa, 9.0 kDa). In an effort to elucidate the biochemical role DUF683 proteins may play in nitrogen fixation, we have determined the first crystal structure for a protein in this family, cce_0567, to 1.84 A resolution. Cce_0567 crystallized in space group P2(1) with two protein molecules and one Ni2+ cation per asymmetric unit. The protein is composed of two (x-helices, residues P11 to G41 (alpha 1) and L49-E74 (alpha 2), with the second alpha-helix containing a short 3(10)-helix (Y46-N48). A four-residue linker (L42-D45) between the helices allows them to form an anti-parallel bundle and cross over each other towards their termini. In solution it is likely that two molecules of cce_0567 form a rod-like dimer by the stacking interactions of similar to 1/2 of the protein. Histidine-36 is highly conserved in all known DUF683 proteins and the N2 nitrogen of the H36 side chain of each molecule in the dimer is coordinated with Ni2+ in the crystal structure. The divalent cation Ni2+ was titrated into N-15-labeled cce_0567 and chemical shift perturbations were observed only in the H-1-N-15 HSQC spectra for residues at, or near, the site of Ni2+ binding observed in the crystal structure. There was no evidence for an increase in the size of cce_0567 upon binding Ni2+, even in large molar excess of Ni2+, indicating that a metal was not required for dimer formation. Circular dichroism spectroscopy indicated that cce_0567 was extremely robust, with a melting temperature of similar to 62 degrees C that was reversible. Published by Elsevier B.V. C1 [Buchko, Garry W.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Robinson, Howard] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. [Addlagatta, Anthony] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Buchko, GW (reprint author), Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. EM garry.buchko@pnl.gov RI Addlagatta, Anthony/B-1101-2010; Buchko, Garry/G-6173-2015 OI Buchko, Garry/0000-0002-3639-1061 FU NIGMS NIH HHS [P41 GM103473] NR 51 TC 2 Z9 2 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1570-9639 EI 0006-3002 J9 BBA-PROTEINS PROTEOM JI BBA-Proteins Proteomics PD APR PY 2009 VL 1794 IS 4 BP 627 EP 633 DI 10.1016/j.bbapap.2009.01.002 PG 7 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 426EE UT WOS:000264690000006 PM 19336042 ER PT J AU Bengtsson, H Ray, A Spellman, P Speed, TP AF Bengtsson, Henrik Ray, Amrita Spellman, Paul Speed, Terence P. TI A single-sample method for normalizing and combining full-resolution copy numbers from multiple platforms, labs and analysis methods SO BIOINFORMATICS LA English DT Article ID ARRAY CGH DATA; GENOME; SEGMENTATION; GENES AB Motivation: The rapid expansion of whole-genome copy number (CN) studies brings a demand for increased precision and resolution of CN estimates. Recent studies have obtained CN estimates from more than one platform for the same set of samples, and it is natural to want to combine the different estimates in order to meet this demand. Estimates from different platforms show different degrees of attenuation of the true CN changes. Similar differences can be observed in CNs from the same platform run in different labs, or in the same lab, with different analytical methods. This is the reason why it is not straightforward to combine CN estimates from different sources (platforms, labs and analysis methods). Results: We propose a single-sample multi source normalization that brings full-resolution CN estimates to the same scale across sources. The normalized CNs are such that for any underlying CN level, their mean level is the same regardless of the source, which make them better suited for being combined across sources, e.g. existing segmentation methods may be used to identify aberrant regions. We use microarray-based CN estimates from The Cancer Genome Atlas (TCGA) project to illustrate and validate the method. We show that the normalized and combined data better separate two CN states at a given resolution. We conclude that it is possible to combine CNs from multiple sources such that the resolution becomes effectively larger, and when multiple platforms are combined, they also enhance the genome coverage by complementing each other in different regions. C1 [Bengtsson, Henrik; Speed, Terence P.] Univ Calif Berkeley, Dept Stat, Berkeley, CA 94720 USA. [Ray, Amrita; Spellman, Paul] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA USA. [Speed, Terence P.] Royal Melbourne Hosp, Walter & Eliza Hall Inst Med Res, Bioinformat Div, Parkville, Vic 3050, Australia. RP Bengtsson, H (reprint author), Univ Calif Berkeley, Dept Stat, Berkeley, CA 94720 USA. EM hb@stat.berkeley.edu RI Speed, Terence /B-8085-2009 OI Speed, Terence /0000-0002-5403-7998 FU NCI [U24 CA126551] FX NCI grant U24 CA126551. NR 23 TC 29 Z9 29 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 J9 BIOINFORMATICS JI Bioinformatics PD APR 1 PY 2009 VL 25 IS 7 BP 861 EP 867 DI 10.1093/bioinformatics/btp074 PG 7 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA 425QI UT WOS:000264651800004 PM 19193730 ER PT J AU Colvin, J Monine, MI Faeder, JR Hlavacek, WS Von Hoff, DD Posner, RG AF Colvin, Joshua Monine, Michael I. Faeder, James R. Hlavacek, William S. Von Hoff, Daniel D. Posner, Richard G. TI Simulation of large-scale rule-based models SO BIOINFORMATICS LA English DT Article ID CELL-SURFACE RECEPTORS; FC-EPSILON-RI; SIGNAL-TRANSDUCTION; COMBINATORIAL COMPLEXITY; STOCHASTIC SIMULATION; BIOCHEMICAL NETWORKS; TRIVALENT LIGANDS; HISTAMINE-RELEASE; MAST-CELLS; BINDING AB Motivation: Interactions of molecules, such as signaling proteins, with multiple binding sites andor multiple sites of post-translational covalent modification can be modeled using reaction rules. Rules comprehensively, but implicitly, define the individual chemical species and reactions that molecular interactions can potentially generate. Although rules can be automatically processed to define a biochemical reaction network, the network implied by a set of rules is often too large to generate completely or to simulate using conventional procedures. To address this problem, we present DYNSTOC, a general-purpose tool for simulating rule-based models. Results: DYNSTOC implements a null-event algorithm for simulating chemical reactions in a homogenous reaction compartment. The simulation method does not require that a reaction network be specified explicitly in advance, but rather takes advantage of the availability of the reaction rules in a rule-based specification of a network to determine if a randomly selected set of molecular components participates in a reaction during a time step. DYNSTOC reads reaction rules written in the BioNetGen language which is useful for modeling proteinprotein interactions involved in signal transduction. The method of DYNSTOC is closely related to that of StochSim. DYNSTOC differs from StochSim by allowing for model specification in terms of BNGL, which extends the range of protein complexes that can be considered in a model. DYNSTOC enables the simulation of rule-based models that cannot be simulated by conventional methods. We demonstrate the ability of DYNSTOC to simulate models accounting for multisite phosphorylation and multivalent binding processes that are characterized by large numbers of reactions. C1 [Colvin, Joshua; Posner, Richard G.] Translat Genom Res Inst, Computat Biol Div, Phoenix, AZ 85004 USA. [Monine, Michael I.; Hlavacek, William S.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Monine, Michael I.; Hlavacek, William S.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Faeder, James R.] Univ Pittsburgh, Dept Computat Biol, Sch Med, Pittsburgh, PA 15260 USA. [Hlavacek, William S.] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. [Von Hoff, Daniel D.] Translat Genom Res Inst, Clin Translat Res Div, Phoenix, AZ 85004 USA. [Posner, Richard G.] No Arizona Univ, Dept Biol Sci, Flagstaff, AZ 86011 USA. RP Posner, RG (reprint author), Translat Genom Res Inst, Computat Biol Div, Phoenix, AZ 85004 USA. EM dynstoc@tgen.org OI Hlavacek, William/0000-0003-4383-8711 FU National Institutes of Health [AI35997, CA109552, GM076570, RR18754]; Department of Energy (DOE) [DE-AC52-06NA25396]; Arizona Biomedical Research Commission FX National Institutes of Health (AI35997, CA109552, GM076570 and RR18754); Department of Energy (DOE) contract DE-AC52-06NA25396; Arizona Biomedical Research Commission. NR 37 TC 35 Z9 35 U1 0 U2 8 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 EI 1460-2059 J9 BIOINFORMATICS JI Bioinformatics PD APR 1 PY 2009 VL 25 IS 7 BP 910 EP 917 DI 10.1093/bioinformatics/btp066 PG 8 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA 425QI UT WOS:000264651800011 PM 19213740 ER PT J AU Pavlopoulos, GA Pafilis, E Kuhn, M Hooper, SD Schneider, R AF Pavlopoulos, Georgios A. Pafilis, Evangelos Kuhn, M. Hooper, Sean D. Schneider, Reinhard TI OnTheFly: a tool for automated document-based text annotation, data linking and network generation SO BIOINFORMATICS LA English DT Article AB OnTheFly is a web-based application that applies biological named entity recognition to enrich Microsoft Office, PDF and plain text documents. The input files are converted into the HTML format and then sent to the Reflect tagging server, which highlights biological entity names like genes, proteins and chemicals, and attaches to them JavaScript code to invoke a summary pop-up window. The window provides an overview of relevant information about the entity, such as a protein description, the domain composition, a link to the 3D structure and links to other relevant online resources. OnTheFly is also able to extract the bioentities mentioned in a set of files and to produce a graphical representation of the networks of the known and predicted associations of these entities by retrieving the information from the STITCH database. C1 [Pavlopoulos, Georgios A.; Pafilis, Evangelos; Kuhn, M.; Schneider, Reinhard] Struct & Computat Biol Unit, Heidelberg, Germany. [Hooper, Sean D.] DOE JGI, Genome Biol Program, Walnut Creek, CA 94598 USA. RP Pavlopoulos, GA (reprint author), Struct & Computat Biol Unit, EMBL Meyerhofstr 1, Heidelberg, Germany. EM pavlopou@embl.de RI Schneider, Reinhard/C-5441-2009; Kuhn, Michael/D-4978-2009; OI Kuhn, Michael/0000-0002-2841-872X; Pavlopoulos, Georgios/0000-0002-4577-8276 NR 5 TC 9 Z9 10 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 J9 BIOINFORMATICS JI Bioinformatics PD APR 1 PY 2009 VL 25 IS 7 BP 977 EP 978 DI 10.1093/bioinformatics/btp081 PG 2 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA 425QI UT WOS:000264651800027 PM 19223449 ER PT J AU Igathinathane, C Womac, AR Sokhansanj, S Narayan, S AF Igathinathane, C. Womac, A. R. Sokhansanj, S. Narayan, S. TI Size reduction of high- and low-moisture corn stalks by linear knife grid system SO BIOMASS & BIOENERGY LA English DT Article DE Corn stalk; Knife grid; Size reduction; Biomass; Shear stress; Cutting; Energy ID STOVER; BIOMASS AB High- and low-moisture corn stalks were tested using a linear knife grid size reduction device developed for first-stage size reduction. The device was used in conjunction with a universal test machine that quantified shearing stress and energy characteristics for forcing a bed of corn stalks through a grid of sharp knives. No published engineering performance data for corn stover with similar devices are available to optimize performance; however, commercial knife grid systems exist for forage size reduction. From the force-displacement data, mean and maximum ultimate shear stresses, cumulative and peak mass-based cutting energies for corn stalks, and mean new surface area-based cutting energies were determined from 4-5 refill runs at two moisture contents (78.8% and 11.3% wet basis), three knife grid spacings (25.4, 50.8, and 101.6 mm), and three bed depths (50.8, 101.6, and 152.4 mm). In general, the results indicated that peak failure load, ultimate shear stress, and cutting energy values varied directly with bed depth and inversely with knife grid spacing. Mean separation analysis established that high- and low-moisture conditions and bed depths >= 101.6 mm did not differ significantly (P < 0.05) for ultimate stress and cutting energy values, but knife grid spacing were significantly different. Linear knife grid cutting energy requirements for both moisture conditions of corn stalks were much smaller than reported cutting energy requirements. Ultimate shear stress and cutting energy results of this research should aid the engineering design of commercial scale linear knife gird size reduction equipment for various biomass feedstocks. Published by Elsevier Ltd. C1 [Womac, A. R.] Univ Tennessee, Dept Biosyst Engn & Soil Sci, Knoxville, TN 37996 USA. [Igathinathane, C.] Mississippi State Univ, Dept Agr & Biol Engn, Mississippi State, MS 39762 USA. [Sokhansanj, S.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Narayan, S.] First Amer Sci Co, Vancouver, BC V7T 1A2, Canada. RP Womac, AR (reprint author), Univ Tennessee, Dept Biosyst Engn & Soil Sci, 2506 EJ Chapman Dr, Knoxville, TN 37996 USA. EM awomac@utk.edu OI Cannayen, Igathinathane/0000-0001-8884-7959 FU USDA-NRCS [68-3A75-4-136]; USDA-DOE-USDA Biomass Research and Development initiative [DE-PA36-04GO94002] FX This research was supported in part by the USDA-NRCS Grant Agreement 68-3A75-4-136 and USDA-DOE-USDA Biomass Research and Development initiative DE-PA36-04GO94002, We appreciate highly the fabrication help of linear knife grid by Mr. Craig A. Wagoner, Lab Machinist, Biosystems Engineering and Soil Science, and the assistance extended by Dr. David Harper, Assistant Professor and Mr. Chris Helton, Research Coordinator of Forest Products Center, The University of Tennessee, Knoxville, TN, USA. NR 23 TC 15 Z9 20 U1 0 U2 2 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 APR PY 2009 VL 33 IS 4 BP 547 EP 557 DI 10.1016/j.biombioe.2008.09.004 PG 11 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 429EQ UT WOS:000264904000001 ER PT J AU English, AE Moy, AB Kruse, KL Ward, RC Kirkpatrick, SS Goldman, MH AF English, Anthony E. Moy, Alan B. Kruse, Kara L. Ward, Richard C. Kirkpatrick, Stacy S. Goldman, Mitchell H. TI Instrumental noise estimates stabilize and quantify endothelial cell micro-impedance barrier function parameter estimates SO BIOMEDICAL SIGNAL PROCESSING AND CONTROL LA English DT Article DE Adhesion; Cell-cell; Cell-matrix; Cell-membrane capacitance; Impedance; Parameter sensitivity; Mathematical computation; Monte Carlo ID ELECTRICAL-RESISTANCE; MAMMALIAN-CELLS; TISSUE-CULTURE; MONITOR; TIME; PRECISION; HISTAMINE; MIGRATION; JUNCTIONS; ADHESION AB A novel transcellular micro-impedance biosensor, referred to as the electric cell-substrate impedance sensor or ECIS, has become increasingly applied to the study and quantification of endothelial cell physiology. In principle, frequency dependent impedance measurements obtained from this sensor can be used to estimate the cell-cell and cell-matrix impedance components of enclothelial cell barrier function based on simple geometric models. Few studies, however, have examined the numerical optimization of these barrier function parameters and established their error bounds. This study, therefore, illustrates the implementation of a multi-response Levenberg-Marquardt algorithm that includes instrumental noise estimates and applies it to frequency dependent porcine pulmonary artery enclothelial cell impedance measurements. The stability of cell-cell, cell-matrix and membrane impedance parameter estimates based on this approach is carefully examined, and several forms of parameter instability and refinement illustrated. Including frequency dependent noise variance estimates in the numerical optimization reduced the parameter value dependence on the frequency range of measured impedances. The increased stability provided by a multi-response non-linear fit over one-dimensional algorithms indicated that both real and imaginary data should be used in the parameter optimization. Error estimates based on single fits and Monte Carlo simulations showed that the model barrier parameters were often highly correlated with each other. Independently resolving the different parameters can, therefore, present a challenge to the experimentalist and demand the use of non-linear multivariate statistical methods when comparing different sets of parameters. (C) 2009 Elsevier Ltd. All rights reserved. C1 [English, Anthony E.; Moy, Alan B.] John Paul II Stem Cell Res Inst, Iowa City, IA 52245 USA. [Moy, Alan B.] Cellular Engn Technol, Coralville, IA 52241 USA. [Kruse, Kara L.; Ward, Richard C.] Oak Ridge Natl Lab, Computat Phys & Engn Div, Oak Ridge, TN 37831 USA. [Kirkpatrick, Stacy S.; Goldman, Mitchell H.] Univ Tennessee, Grad Sch Med, Knoxville, TN 37920 USA. RP English, AE (reprint author), John Paul II Stem Cell Res Inst, 540E Jefferson St,Suite 305, Iowa City, IA 52245 USA. EM anthony.english@jp2sri.org FU National Science Foundation CAREER [BES-0238905]; American Heart Association [0265029B]; National Institutes of Health [GM61732] FX This work was supported in part by a National Science Foundation CAREER award BES-0238905 (AEE) and in part by an American Heart Association grant 0265029B (AEE) and a National Institutes of Health grant GM61732 (ABM). NR 34 TC 0 Z9 0 U1 1 U2 8 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1746-8094 J9 BIOMED SIGNAL PROCES JI Biomed. Signal Process. Control PD APR PY 2009 VL 4 IS 2 BP 86 EP 93 DI 10.1016/j.bspc.2008.12.002 PG 8 WC Engineering, Biomedical; Medical Laboratory Technology SC Engineering; Medical Laboratory Technology GA 440MR UT WOS:000265704900002 ER PT J AU Lubben, M Portmann, R Kock, G Stoll, R Young, MM Solioz, M AF Luebben, Mathias Portmann, Reto Kock, Gerd Stoll, Raphael Young, Malin M. Solioz, Marc TI Structural model of the CopA copper ATPase of Enterococcus hirae based on chemical cross-linking SO BIOMETALS LA English DT Article DE Copper ATPase; Structure model; Cross-linking; Mass spectrometry; Serca1 ID P-TYPE ATPASES; METAL-BINDING DOMAIN; FULGIDUS CU+-ATPASE; CRYSTAL-STRUCTURE; TRANSPORTING ATPASES; ANGSTROM RESOLUTION; MASS-SPECTROMETRY; DOCKING APPROACH; CALCIUM-PUMP; PROTEIN AB The CopA copper ATPase of Enterococcus hirae belongs to the family of heavy metal pumping CPx-type ATPases and shares 43% sequence similarity with the human Menkes and Wilson copper ATPases. Due to a lack of suitable protein crystals, only partial three-dimensional structures have so far been obtained for this family of ion pumps. We present a structural model of CopA derived by combining topological information obtained by intramolecular cross-linking with molecular modeling. Purified CopA was cross-linked with different bivalent reagents, followed by tryptic digestion and identification of cross-linked peptides by mass spectrometry. The structural proximity of tryptic fragments provided information about the structural arrangement of the hydrophilic protein domains, which was integrated into a three-dimensional model of CopA. Comparative modeling of CopA was guided by the sequence similarity to the calcium ATPase of the sarcoplasmic reticulum, Serca1, for which detailed structures are available. In addition, known partial structures of CPx-ATPase homologous to CopA were used as modeling templates. A docking approach was used to predict the orientation of the heavy metal binding domain of CopA relative to the core structure, which was verified by distance constraints derived from cross-links. The overall structural model of CopA resembles the Serca1 structure, but reveals distinctive features of CPx-type ATPases. A prominent feature is the positioning of the heavy metal binding domain. It features an orientation of the Cu binding ligands which is appropriate for the interaction with Cu-loaded metallochaperones in solution. Moreover, a novel model of the architecture of the intramembranous Cu binding sites could be derived. C1 [Portmann, Reto; Solioz, Marc] Univ Bern, Dept Clin Pharmacol & Visceral Res, CH-3010 Bern, Switzerland. [Luebben, Mathias] Ruhr Univ Bochum, Dept Biophys, D-44780 Bochum, Germany. [Kock, Gerd; Stoll, Raphael] Ruhr Univ Bochum, Dept Biochem 2, Biomol NMR, D-44780 Bochum, Germany. [Young, Malin M.] Sandia Natl Labs, Livermore, CA USA. RP Solioz, M (reprint author), Univ Bern, Dept Clin Pharmacol & Visceral Res, Murtenstr 35, CH-3010 Bern, Switzerland. EM marc.solioz@ikp.unibe.ch RI Solioz, Marc/I-3162-2013; Stoll, Raphael/S-6780-2016; OI Solioz, Marc/0000-0002-7989-6721; Stoll, Raphael/0000-0003-2890-8419; Portmann, Reto/0000-0001-8979-7439 FU Swiss National Foundation [3100A0-109703]; International Copper Association; VolkswagenStiftung [I/78128]; Deutsche Forschungsgemeinschaft [LU405/3-1, SFB 642]; United States Department of Energy [DE-AC04-94AL85000] FX We are grateful to Jurgen Schlitter and Steffen Wolff for stimulating discussions and Ken Sale at Sandia National Laboratories for molecular modeling advice. This work was supported by grant 3100A0-109703 from the Swiss National Foundation (MS), a grant from the International Copper Association (MS), grant I/78128 from the VolkswagenStiftung (ML), a grant by the Deutsche Forschungsgemeinschaft LU405/3-1 (ML), and by the Laboratory Directed Research and Development program at Sandia National Laboratories, which is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company for the United States Department of Energy under contract DE-AC04-94AL85000. R. S. gratefully acknowledges generous support from the DFG (SFB 642). G. K. is a fellow of the RUB Research School. NR 52 TC 16 Z9 16 U1 1 U2 6 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0966-0844 J9 BIOMETALS JI Biometals PD APR PY 2009 VL 22 IS 2 BP 363 EP 375 DI 10.1007/s10534-008-9173-4 PG 13 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 424DV UT WOS:000264546600018 PM 18979168 ER PT J AU Porcel, ENR Foose, LL Svitova, TF Blanch, HW Prausnitz, JM Radke, CJ AF Porcel, E. N. Rodriguez Foose, L. L. Svitova, T. F. Blanch, H. W. Prausnitz, J. M. Radke, C. J. TI Role of Surfactant on the Proteolysis of Aqueous Bovine Serum Albumin SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE BSA; subtilisin Carlsberg; surfactant; proteolysis ID SODIUM DODECYL-SULFATE; ANIONIC SURFACTANTS; CIRCULAR-DICHROISM; IONIC SURFACTANTS; LIGHT-SCATTERING; ALKYL SULFATES; CASEIN ASSAY; BINDING; BSA; FLUORESCENCE AB Nonionic and ionic surfactants diminish the initial rate of proteolysis of aqueous bovine serum albumin (BSA) by subtilisin Carlsberg. surfactants studied include: nonionic tetraethylene glycol monododecyl ether (C(12)E(4)); anionic sodium dodecyl sulfate (SIDS), anionic sodium dodecylbenzenesulfonate (SDBS), and cationic dodecyltrimethylamonium bromide (DTAB). Kinetic data are obtained using fluorescence emission. Special attention is given to enzyme kinetic specificity determined by fitting initial-rate data to the Michaelis-Menten model. All surfactants reduce the rate of proteolysis, most strongly at concentrations near and above the critical micelle concentration (CMC). Circular dichroism (CD), tryptophan/tyrosine fluorescence spectra, and tryptophan fluorescence thermograms indicate that BSA partially unfolds at ionic surfactant concentrations near and above the CMC. Changes in BSA conformation are less apparent at ionic surfactant concentrations below the CMC and for the nonionic surfactant C(12)E(4). Subtilisin Carlsberg activity against the polypeptide, succinyl-Ala-Ala-Pro-Phe-p-nitroanilide, decreased due to enzyme-surfactant interaction. At the concentrations and time frames studied, there was no enzyme autolysis. Importantly, aqueous proteolysis rates are significantly reduced at high surfactant concentrations where protein-micellar-surfactant aggregates occur. To explain the negative effect of surfactant on subtilisin Carlsberg proteolytic activity against BSA, we propose that micelle/protein complexes hinder enzyme access. C1 [Porcel, E. N. Rodriguez; Foose, L. L.; Svitova, T. F.; Blanch, H. W.; Prausnitz, J. M.; Radke, C. J.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Prausnitz, J. M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Radke, CJ (reprint author), Univ Calif Berkeley, Dept Chem Engn, 201 Gilman Hall, Berkeley, CA 94720 USA. EM radke@berkeley.edu FU Spanish Ministry of Education and Science; Office for Basic Sciences, US Department of Energy; U C Discovery Grant; Procter and Gamble Co. FX Contract grant sponsor: Procter and Gamble Co. NR 47 TC 8 Z9 8 U1 1 U2 10 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 APR 1 PY 2009 VL 102 IS 5 BP 1330 EP 1341 DI 10.1002/bit.22159 PG 12 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 418DE UT WOS:000264126600006 PM 18988266 ER PT J AU Tang, YJ Sapra, R Joyner, D Hazen, TC Myers, S Reichmuth, D Blanch, H Keasling, JD AF Tang, Yinjie J. Sapra, Rajat Joyner, Dominique Hazen, Terry C. Myers, Samuel Reichmuth, David Blanch, Harvey Keasling, Jay D. TI Analysis of Metabolic Pathways and Fluxes in a Newly Discovered Thermophilic and Ethanol-Tolerant Geobacillus Strain SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE C5 sugar; micro-aerobic; TCA cycle; anaplerotic pathway; flux balance model ID CHROMATOGRAPHY-MASS SPECTROMETRY; FATTY-ACID COMPOSITION; ESCHERICHIA-COLI; BACILLUS-SUBTILIS; GENE-EXPRESSION; FERMENTATION; GLUCOSE; ACETATE; GENOMICS; NETWORK AB A recently discovered thermophilic bacterium, Geobacillus thermoglucosidasius M10EXG, ferments a range of C5 (e.g., xylose) and C6 sugars (e.g., glucose) and is tolerant to high ethanol concentrations (10%, v/v). We have investigated the central metabolism of this bacterium using both in vitro enzyme assays and (13)C-based flux analysis to provide insights into the physiological properties of this extremophile and explore its metabolism for bio-ethanol or other bioprocess applications, Our findings show that glucose metabolism in G. thermoglucosidasius M10EXG proceeds via glycolysis, the pentose phosphate pathway, and the TCA cycle; the Entner-Doudoroff pathway and transhydrogenase activity were not detected. Anaplerotic reactions ( including the glyoxylate shunt, pyruvate carboxylase, and phosphoenolpyruvate carboxykinase) were active, but fluxes through those pathways could not he accurately determined using amino acid labeling. When growth conditions were switched from aerobic to micro-aerobic conditions, fluxes (based on it normalized glucose uptake rate of 100 units (gDCW) (1)h (1)) through the TCA cycle and oxidative pentose phosphate pathway were reduced front 64 +/- 3 to 25 +/- 2 and from 30 +/- 2 to 19 +/- 2, respectively. The carbon flux under micro-aerobic growth was directed to ethanol, L-lactate (>99% optical purity), acetate, and formate. Under fully anerobic conditions, G. thermoglucosidasius M10EXG Used a mixed acid fermentation process and exhibited a maximum ethanol yield of 0.38 +/- 0.07 mol mol(-1) glucose. In silico flux balance modeling demonstrates that lactate and acetate production from G. thermoglucosidasius M10EXG, reduces the maximum ethanol yield by approximately threefold, thus indicating that both pathways should be modified to maximize ethanol production. C1 [Tang, Yinjie J.; Joyner, Dominique; Hazen, Terry C.; Keasling, Jay D.] Virtual Inst Microbial Stress & Survival, Berkeley, CA USA. [Tang, Yinjie J.] Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO USA. [Sapra, Rajat; Blanch, Harvey; Keasling, Jay D.] Joint Bioenergy Inst, Emeryville, CA 94608 USA. [Sapra, Rajat; Reichmuth, David] Sandia Natl Labs, Livermore, CA USA. [Joyner, Dominique; Hazen, Terry C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Ecol, Berkeley, CA 94720 USA. [Myers, Samuel; Blanch, Harvey; Keasling, Jay D.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Blanch, Harvey; Keasling, Jay D.] Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. RP Keasling, JD (reprint author), Virtual Inst Microbial Stress & Survival, Berkeley, CA USA. EM keasling@berkeley.edu RI Keasling, Jay/J-9162-2012; Hazen, Terry/C-1076-2012 OI Keasling, Jay/0000-0003-4170-6088; Hazen, Terry/0000-0002-2536-9993 FU Sandia National Laboratories; US Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; Lockheed Martin Company; United States Department of Energy [DE-AC04-94AL85000] FX We thank Dr. Steve Van Dien (Genomatica) for helping with the Simpheny model and Jeannie Cho for helping with metabolite measurement. Financial support for this research was provided by the Sandia National Laboratories Laboratory Directed Research and Development program. Sandia is a multi-program laboratory operated by the Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000, D.J. and T.c.H. acknowledges support by the Virtual Institute for Microbial Stress and Survival (http://www.vimss.lbl.gov) supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, Genomics: GTL Program through contract DE-AC02-05CH11231 between the Lawrence Berkeley National Laboratory and the US Department of Energy. This work is also a part of the Joint BioEnergy Institute supported by the U.S. Department of Energy. Jay 1). Keasling has a Consulting relationship with and a financial interest in Amyris and a financial interest in LS9, two biofuel companies. NR 42 TC 30 Z9 32 U1 1 U2 22 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 APR 1 PY 2009 VL 102 IS 5 BP 1377 EP 1386 DI 10.1002/bit.22181 PG 10 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 418DE UT WOS:000264126600011 PM 19016470 ER PT J AU Borole, AP Mielenz, JR Vishnivetskaya, TA Hamilton, CY AF Borole, Abhijeet P. Mielenz, Jonathan R. Vishnivetskaya, Tatiana A. Hamilton, Choo Y. TI Controlling accumulation of fermentation inhibitors in biorefinery recycle water using microbial fuel cells SO BIOTECHNOLOGY FOR BIOFUELS LA English DT Article ID ELECTRICITY-GENERATION; HYDROGEN-PRODUCTION; CATHODE; PRETREATMENT; PERFORMANCE; TECHNOLOGY; ETHANOL; BIOMASS; MICROORGANISMS; DETOXIFICATION AB Background: Microbial fuel cells (MFC) and microbial electrolysis cells are electrical devices that treat water using microorganisms and convert soluble organic matter into electricity and hydrogen, respectively. Emerging cellulosic biorefineries are expected to use large amounts of water during production of ethanol. Pretreatment of cellulosic biomass results in production of fermentation inhibitors which accumulate in process water and make the water recycle process difficult. Use of MFCs to remove the inhibitory sugar and lignin degradation products from recycle water is investigated in this study. Results: Use of an MFC to reduce the levels of furfural, 5-hydroxymethylfurfural, vanillic acid, 4-hydroxybenzaldehyde and 4-hydroxyacetophenone while simultaneously producing electricity is demonstrated here. An integrated MFC design approach was used which resulted in high power densities for the MFC, reaching up to 3700 mW/m(2) (356 W/m(3) net anode volume) and a coulombic efficiency of 69%. The exoelectrogenic microbial consortium enriched in the anode was characterized using a 16S rRNA clone library method. A unique exoelectrogenic microbial consortium dominated by delta-Proteobacteria (50%), along with beta-Proteobacteria (28%), alpha-Proteobacteria (14%), gamma-Proteobacteria (6%) and others was identified. The consortium demonstrated broad substrate specificity, ability to handle high inhibitor concentrations (5 to 20 mM) with near complete removal, while maintaining long-term stability with respect to power production. Conclusion: Use of MFCs for removing fermentation inhibitors has implications for: 1) enabling higher ethanol yields at high biomass loading in cellulosic ethanol biorefineries, 2) improved water recycle and 3) electricity production up to 25% of total biorefinery power needs. C1 [Borole, Abhijeet P.; Mielenz, Jonathan R.; Vishnivetskaya, Tatiana A.] Oak Ridge Natl Lab, BioSci Div, Oak Ridge, TN 37831 USA. [Hamilton, Choo Y.] Univ Tennessee, Knoxville, TN 37996 USA. RP Borole, AP (reprint author), Oak Ridge Natl Lab, BioSci Div, Oak Ridge, TN 37831 USA. EM borolea@ornl.gov; Mielenzjr@ornl.gov; vishnivetsta@ornl.gov; hamiltoncy@ornl.gov RI Borole, AP/F-3933-2011; Vishnivetskaya, Tatiana/A-4488-2008; OI Vishnivetskaya, Tatiana/0000-0002-0660-023X; Borole, Abhijeet/0000-0001-8423-811X FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL) [DE AC05-00OR22725]; US Government [DE-AC05-00OR22725] FX This research was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL), managed by UT-Battelle, LLC for the US Department of Energy under Contract No. DE AC05-00OR22725. The authors also acknowledge funding provided by the BioSciences Division at ORNL to cover publication costs. The authors would like to thank Babu Raman for helpful suggestions and the anonymous reviewers for their thoughtful comments on the manuscript. The submitted manuscript has been authored by a contractor of the US Government under contract No. DE-AC05-00OR22725. Accordingly, the US Government retains a nonexclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for US Government purposes. NR 52 TC 32 Z9 32 U1 0 U2 22 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1754-6834 J9 BIOTECHNOL BIOFUELS JI Biotechnol. Biofuels PD APR 1 PY 2009 VL 2 AR 7 DI 10.1186/1754-6834-2-7 PG 14 WC Biotechnology & Applied Microbiology; Energy & Fuels SC Biotechnology & Applied Microbiology; Energy & Fuels GA 522OJ UT WOS:000272007300001 PM 19338657 ER PT J AU Wandersman, E Chushkin, Y Dubois, E Dupuis, V Demouchy, G Robert, A Perzynski, R AF Wandersman, E. Chushkin, Y. Dubois, E. Dupuis, V. Demouchy, G. Robert, A. Perzynski, R. TI Repulsive and attractive ferroglasses: a SAXS and XPCS study SO BRAZILIAN JOURNAL OF PHYSICS LA English DT Article; Proceedings Paper CT 1st Franco-Brazilian Meeting of Nanoscience, Nanotechnology and Nanobiotechnology CY 2009 CL Univ Brasilia, Brasilia, BRAZIL HO Univ Brasilia DE 75.50.Mn Magnetic liquids; 61.10.-i X-ray diffraction and scattering; 82.70.Dd Colloids; 64.70.Pf Glass transitions ID ANGLE NEUTRON-SCATTERING; MAGNETIC FLUIDS; COLLOIDAL DISPERSIONS; IONIC FERROFLUIDS; DYNAMICS; GLASS AB A dynamical freezing, which is the analogous of a glass transition, is observed at large concentrations in aqueous dispersions of maghemite nanoparticles. We study experimentally the structure and the dynamical properties of two dense ferroglass-formers in two very distinct states of interparticle interaction, either strongly repulsive or attractive. The static structure of the magnetic colloidal dispersions is probed by means of Small Angle X-ray Scattering both in and without the presence of an external magnetic field. Translational dynamics of the repulsive glassformer are investigated by X ray Photon Correlation Spectroscopy. Slow dynamics and aging properties, which both become anisotropic under an applied field, are here investigated. C1 [Wandersman, E.; Dubois, E.; Dupuis, V.; Demouchy, G.; Perzynski, R.] Univ Paris 06, CNRS, ESPCI, UMR 7612,Lab Liquides Ion & Interfaces Chargees, F-75005 Paris, France. [Chushkin, Y.] European Synchrotron Radiat Facil, F-38043 Grenoble 9, France. [Robert, A.] Stanford Univ, Stanford Linear Accelerator Ctr, LUSI, LCLS, Menlo Pk, CA 94025 USA. RP Wandersman, E (reprint author), Univ Paris 06, CNRS, ESPCI, UMR 7612,Lab Liquides Ion & Interfaces Chargees, Case 51,4 Pl Jussieu, F-75005 Paris, France. EM regine.perzynski@upmc.fr RI Dupuis, Vincent/G-6923-2015 NR 33 TC 3 Z9 3 U1 0 U2 8 PU SOC BRASILEIRA FISICA PI SAO PAULO PA CAIXA POSTAL 66328, 05315-970 SAO PAULO, BRAZIL SN 0103-9733 J9 BRAZ J PHYS JI Braz. J. Phys. PD APR PY 2009 VL 39 IS 1A BP 210 EP 216 PG 7 WC Physics, Multidisciplinary SC Physics GA 469JM UT WOS:000267893800014 ER PT J AU Shaw, WJ Lundquist, JK Schreck, SJ AF Shaw, William J. Lundquist, Julie K. Schreck, Scott J. TI RESEARCH NEEDS FOR WIND RESOURCE CHARACTERIZATION SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY LA English DT Editorial Material C1 [Shaw, William J.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Lundquist, Julie K.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Schreck, Scott J.] Natl Renewable Energy Lab, Golden, CO USA. RP Shaw, WJ (reprint author), POB 999,MSIN k9-30, Richland, WA 99352 USA. EM will.shaw@pnl.gov OI LUNDQUIST, JULIE/0000-0001-5490-2702 NR 2 TC 10 Z9 10 U1 0 U2 0 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 APR PY 2009 VL 90 IS 4 BP 535 EP 538 DI 10.1175/2008BAMS2729.1 PG 4 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 445FI UT WOS:000266035100011 ER PT J AU Anderson, DN Walter, WR Fagan, DK Mercier, TM Taylor, SR AF Anderson, D. N. Walter, W. R. Fagan, D. K. Mercier, T. M. Taylor, S. R. TI Regional Multistation Discriminants: Magnitude, Distance, and Amplitude Corrections, and Sources of Error SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID SEISMIC DISCRIMINANTS; VARIANCE-COMPONENTS; EARTHQUAKES; EXPLOSIONS AB Magnitude, distance, and amplitude corrections (MDAC) made to observed regional amplitudes are necessary so that what remains in the corrected amplitude is mostly information about the seismic source type. Corrected amplitudes can be used in ratios to discriminate between earthquakes and explosions. However, source effects remain that cannot easily be determined and applied as amplitude corrections, such as those due to depth, focal mechanism, local material property, and apparent stress variability. We develop a mathematical model to capture these near-source effects as random (unknown), giving an error partition of three sources: model inadequacy, station noise, and amplitude correlation. This mathematical model is the basis for a general multistation regional discriminant formulation. The standard error of the discriminant includes the variances of model inadequacy and station noise, along with amplitude correlation in its formulation. The developed methods are demonstrated for a collection of Nevada test site (NTS) events observed at regional stations (see Fig. 1). Importantly, the proposed formulation includes all corrected amplitude information through the construction of multistation discriminants. In contrast, previous studies have only computed discriminants from single stations having both P and S amplitudes. The proposed multistation approach has similarities to the well-established m(b) versus M-s discriminant and represents a new paradigm for the regional discrimination problem. C1 [Anderson, D. N.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Walter, W. R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Fagan, D. K.; Mercier, T. M.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Taylor, S. R.] Rocky Mt Geophys LLC, White Rock, NM 87544 USA. RP Anderson, DN (reprint author), Los Alamos Natl Lab, Geophys Grp, POB 1663,MS F665, Los Alamos, NM 87545 USA. EM dand@lanl.gov RI Walter, William/C-2351-2013 OI Walter, William/0000-0002-0331-0616 FU U. S. Department of Energy by Pacific Northwest National Laboratory [DE-AC05-76RL01830] FX The authors acknowledge the support of Leslie A. Casey and the National Nuclear Security Administration Office of Nonproliferation Research and Development for funding this work. This work was completed under the auspices of the U. S. Department of Energy by Pacific Northwest National Laboratory under Contract Number DE-AC05-76RL01830. The authors also acknowledge the technical advice and historical perspective of Robert Blandford and Robert Shumway. NR 18 TC 4 Z9 6 U1 0 U2 1 PU SEISMOLOGICAL SOC AMER PI ALBANY PA 400 EVELYN AVE, SUITE 201, ALBANY, CA 94706-1375 USA SN 0037-1106 EI 1943-3573 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD APR 1 PY 2009 VL 99 IS 2A BP 794 EP 808 DI 10.1785/0120080014 PG 15 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 447HE UT WOS:000266181400020 ER PT J AU Marsden, DA Jones, DJL Britton, RG Ognibene, T Ubick, E Johnson, GE Farmer, PB Brown, K AF Marsden, Debbie A. Jones, Donald J. L. Britton, Robert G. Ognibene, Ted Ubick, Esther Johnson, George E. Farmer, Peter B. Brown, Karen TI Dose-Response Relationships for N7-(2-Hydroxyethyl)Guanine Induced by Low-Dose [C-14]Ethylene Oxide: Evidence for a Novel Mechanism of Endogenous Adduct Formation SO CANCER RESEARCH LA English DT Article ID ACCELERATOR MASS-SPECTROMETRY; ETHYLENE-OXIDE; 1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID; LIPID-PEROXIDATION; DNA-ADDUCTS; BIOCHEMICAL SAMPLES; RISK-ASSESSMENT; FOLLOW-UP; WORKERS; RATS AB Ethylene oxide (EO) is widely used in the chemical industry and is also formed in humans through the metabolic oxidation of ethylene, generated during physiologic processes. EO is classified as a human carcinogen and is a direct acting alkylating agent, primarily forming N7-(2-hydroxyethyl)guanine (N7-HEG). To conduct accurate human risk assessments, it is vital to ascertain the relative contribution of endogenously versus exogenously derived DNA damage and identify the sources of background lesions. We have therefore defined in vivo dose-response relationships over a concentration range relevant to human EO exposures using a dual-isotope approach. By combining liquid chromatography-tandem mass spectrometry and high-performance liquid chromatography-accelerator mass spectrometry analysis, both the endogenous and exogenous N7-HEG adducts were quantified in tissues of [C-14]EO-treated rats. Levels of [C-14]N7-HEG induced in spleen, liver, and stomach DNA increased in a linear manner from 0.002 to 4 adducts/10(8) nucleotides. More importantly the extent of damage arising through this route was insignificant compared with the background abundance of N7-HEG naturally present. However, at the two highest doses, [C-14]EO exposure caused a significant increase in endogenous N7-HEG formation in liver and spleen, suggesting that EO can induce physiologic pathways responsible for ethylene generation in vivo and thereby indirectly promote N7-HEG production. We present evidence for a novel mechanism of adduct formation to explain this phenomenon, involving oxidative stress and 1-aminocyclopropane-1-carboxylic acid as a potential biosynthetic precursor to ethylene in mammalian cells. Based on the proposed pathway, N7-HEG may have potential as a biomarker of cellular oxidative stress. [Cancer Res 2009;69(7):3052-9] C1 [Marsden, Debbie A.; Jones, Donald J. L.; Britton, Robert G.; Farmer, Peter B.; Brown, Karen] Univ Leicester, Dept Canc Studies & Mol Med, Leicester LE2 7LX, Leics, England. [Ognibene, Ted; Ubick, Esther] Lawrence Livermore Natl Lab, Livermore, CA USA. [Johnson, George E.] Swansea Univ, Swansea, W Glam, Wales. RP Brown, K (reprint author), Univ Leicester, Dept Canc Studies & Mol Med, Leicester LE2 7LX, Leics, England. EM kb20@le.ac.uk RI Marsden, Debbie/F-7259-2011 FU American Chemistry Council [MTH0311-02]; Cancer Research UK [C325/A6691]; NIH, National Center for Research Resources [P41RR13461] FX American Chemistry Council grant MTH0311-02 and Cancer Research UK grant C325/A6691. AMS analysis was performed at the Research Resource for Biomedical AMS Laboratory, operated at the Lawrence Livermore National Laboratory, and supported by NIH, National Center for Research Resources, Biomedical Technology Program grant P41RR13461.; The costs of publication of this article were defrayed in part by the payment of page charges. This article must therefore be hereby marked advertisement in accordance with 18 U.S.C. Section 1734 solely to indicate this fact.; We thank Manijeh Maleki-Dizaji for technical assistance, Kurt Haack for graphitization of AMS samples, Dr. Ken Turteltaub for helpful comments, and Dr. Jerome Lasker (Hackensack University Medical Center) for kindly providing the anti-human CYP2E1 IgG antibody. NR 46 TC 15 Z9 15 U1 0 U2 3 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 0008-5472 EI 1538-7445 J9 CANCER RES JI Cancer Res. PD APR 1 PY 2009 VL 69 IS 7 BP 3052 EP 3059 DI 10.1158/0008-5472.CAN-08-4233 PG 8 WC Oncology SC Oncology GA 429GE UT WOS:000264908100048 PM 19276345 ER PT J AU Zou, GF Yang, H Jain, M Zhou, HH Williams, D Zhou, M McCleskey, T Burrell, A Jia, QX AF Zou, Guifu Yang, Hao Jain, Menka Zhou, Honghui Williams, Darrick Zhou, Meng McCleskey, T. Burrell, A. Jia, Quanxi TI Vertical connection of carbon nanotubes to silicon at room temperature using a chemical route SO CARBON LA English DT Article ID INTEGRATION; DELIVERY AB The vertical connection of carbon nanotubes (CNTs) to silicon based on a chemical route at room temperature has been realized, using polyethylenimine (PEI) as a binding material between them. Chemical hydrogen bonding and electrostatic interaction between PEI, CNTs, and silicon effectively connect the CNTs to silicon. In this process, CNTs always keep their pristine structure and shape, so the unique physical properties of CNTs are maintained. Electric transport at this junction shows a tunneling behavior, which verifies PEI as a molecular link between CNT tips and the silicon. Control of both interaction and surface termination of the materials at the molecular level allows us to bind the CNTs to the silicon surface without modifying the properties of either. Published by Elsevier Ltd. C1 [Zou, Guifu; Yang, Hao; Jain, Menka; Zhou, Honghui; Williams, Darrick; Zhou, Meng; McCleskey, T.; Burrell, A.; Jia, Quanxi] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Zou, GF (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. EM gfzou@lanl.gov; qxjia@lanl.gov RI ZOU, GUIFU/C-8498-2011; Jia, Q. X./C-5194-2008; OI Jain, Menka/0000-0002-2264-6895; Mccleskey, Thomas/0000-0003-3750-3245 FU US Department of Energy through the LAN/LDRD Program FX We gratefully acknowledge the support of the US Department of Energy through the LAN/LDRD Program for this work. Dr. Scott A. Baily is appreciated for the assistance in manuscript preparation. NR 25 TC 9 Z9 9 U1 0 U2 8 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 APR PY 2009 VL 47 IS 4 BP 933 EP 937 DI 10.1016/j.carbon.2008.11.017 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 419XL UT WOS:000264252900001 ER PT J AU Zhong, J Song, L Meng, J Gao, B Chu, WS Xu, HY Luo, Y Guo, JH Marcelli, A Xie, SS Wu, ZY AF Zhong, Jun Song, Li Meng, Jie Gao, Bin Chu, Wangsheng Xu, Haiyan Luo, Yi Guo, Jinghua Marcelli, Augusto Xie, Sishen Wu, Ziyu TI Bio-nano interaction of proteins adsorbed on single-walled carbon nanotubes SO CARBON LA English DT Article ID ABSORPTION FINE-STRUCTURE; INNER-SHELL EXCITATION; GLYCYL-GLYCINE; SPECTROSCOPY; FUNCTIONALIZATION; IMMOBILIZATION; APPROXIMATION; ADSORPTION; ENERGY AB We applied X-ray absorption near edge structure (XANES) spectroscopy to investigate the adsorption of proteins onto single-walled carbon nanotubes (SWCNTs). Specific XANES spectral features such as peptide C=O bonds in proteins were recognized and found to be affected by the corresponding aromatic structure of SWCNTs. Experimental data combined with first-principle calculation of the investigated nano-complex allow the understanding of adsorption mechanism and reveal that an interface interaction occurs leading to precise structural distortions of proteins. The study also demonstrates that XANES is a powerful tool to characterize structural details of proteins at the interface of complex systems. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Zhong, Jun; Gao, Bin; Chu, Wangsheng; Wu, Ziyu] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. [Song, Li; Xie, Sishen] Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100080, Peoples R China. [Meng, Jie; Xu, Haiyan] Chinese Acad Med Sci, Inst Basic Med, Beijing 100005, Peoples R China. [Meng, Jie; Xu, Haiyan] Peking Union Med Coll, Beijing 100005, Peoples R China. [Gao, Bin; Luo, Yi] Royal Inst Technol, S-10691 Stockholm, Sweden. [Guo, Jinghua] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. [Marcelli, Augusto] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Wu, Ziyu] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230026, Peoples R China. [Wu, Ziyu] Chinese Acad Sci, Theoret Phys Ctr Sci Facil, Beijing 100049, Peoples R China. RP Wu, ZY (reprint author), Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. EM wuzy@mail.ihep.ac.cn RI Song, Li/B-1950-2010; Gao, Bin/B-3347-2012; Luo, Yi/B-1449-2009 OI Song, Li/0000-0003-0585-8519; Gao, Bin/0000-0003-1092-7785; Luo, Yi/0000-0003-0007-0394 FU Outstanding Youth Fund [10125523]; National Natural Science Foundation of China [10490191, 10734070, NSFC30270394, NSFC90306004]; Chinese Academy of Sciences [KJCX2-SW-N11]; US Department of Energy [DE-AC02-05CH11231]; Italian Ministry Foreign Affairs FX Z. Wu acknowledges the financial support of the Outstanding Youth Fund (10125523) and the Key Important Project (10490191, 10734070) of the National Natural Science Foundation of China, and the Knowledge innovation Program of the Chinese Academy of Sciences (KJCX2-SW-N11). H. Xu acknowledges the National Natural Science Foundation of China (Grants NSFC30270394 and NSFC90306004). The Advanced Light Source is supported by the US Department of Energy under Contract No. DE-AC02-05CH11231. A special thank goes to Weimin Gong for fruitful discussions. We gratefully acknowledge also the support of the Italian Ministry Foreign Affairs in the framework of the 12th Executive Programme of Scientific and Technological Cooperation between the Italian Republic and the People's Republic of China. NR 34 TC 47 Z9 50 U1 1 U2 35 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 APR PY 2009 VL 47 IS 4 BP 967 EP 973 DI 10.1016/j.carbon.2008.11.051 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 419XL UT WOS:000264252900005 ER PT J AU Pol, VG Calderon-Moreno, JM Chupas, PJ Winans, RE Thiyagarajan, P AF Pol, Vilas G. Calderon-Moreno, Jose M. Chupas, Peter J. Winans, Randall E. Thiyagarajan, P. TI Synthesis of monodispersed prolate spheroid shaped paramagnetic carbon SO CARBON LA English DT Article ID PYROLYSIS; MICROSTRUCTURE; HYDROCARBONS; PHASE AB We demonstrate a single step, efficient, catalyst-and-solvent-free and scalable process for the synthesis of monodisperse, prolate spheroid shaped carbon (PSC) with 3 mu m. polar and 1.5 mu m equatorial diameters by thermolysis of refined corn oil in a closed SS reactor at 700 degrees C. The autogenic pressure and in situ mass spectra during the thermolysis of corn oil were measured to gain insight on the reaction products as a function of temperature. We have characterized the morphology, structure, composition and magnetic property of PSC by using SEM, EDX, XRD, pair distribution function (PDF), solid state (13)C NMR, Raman spectroscopy and EPR. We propose a putative mechanism for their formation by using all the complementary data. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Pol, Vilas G.; Thiyagarajan, P.] Argonne Natl Lab, IPNS, Argonne, IL 60439 USA. [Calderon-Moreno, Jose M.] Ilie Murgulescu Acad Romano, Inst Phys Chem, Bucharest 060021, Romania. [Chupas, Peter J.; Winans, Randall E.] Argonne Natl Lab, XSD, Argonne, IL 60439 USA. [Thiyagarajan, P.] Off Basic Energy Sci, Dept Energy, Washington, DC 20585 USA. RP Pol, VG (reprint author), Argonne Natl Lab, IPNS, 9700 S Cass Ave, Argonne, IL 60439 USA. EM vilaspol@gmail.com RI Calderon Moreno, Jose/B-2867-2008 OI Calderon Moreno, Jose/0000-0001-8376-9082 FU UChicago Argonne, LLC [DE-AC02-06CH11357] FX Work benefited from the use of the facilities at APS, IPNS, CNM and EMC at ANL supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357 by UChicago Argonne, LLC. We acknowledge Nada Dimitrijevic at Chemistry division at ANL for the EPR measurement and Mark Solum from Chemistry division, University of Utah for the NMR measurements of the PSC. NR 26 TC 12 Z9 12 U1 2 U2 8 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 APR PY 2009 VL 47 IS 4 BP 1050 EP 1055 DI 10.1016/j.carbon.2008.12.028 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 419XL UT WOS:000264252900015 ER PT J AU Park, JY Aliaga, C Renzas, JR Lee, H Somorjai, GA AF Park, Jeong Y. Aliaga, Cesar Renzas, J. Russell Lee, Hyunjoo Somorjai, Gabor A. TI The Role of Organic Capping Layers of Platinum Nanoparticles in Catalytic Activity of CO Oxidation SO CATALYSIS LETTERS LA English DT Article DE Nanoparticle; Activity ID CRYSTAL-SURFACES; MOLECULAR-BEAM; SHAPE; HYDROGENATION; NANOCRYSTALS; SELECTIVITY; PT(111); SIZE; METALS; FILMS AB We report the catalytic activity of colloid platinum nanoparticles synthesized with different organic capping layers. On the molecular scale, the porous organic layers have open spaces that permit the reactant and product molecules to reach the metal surface. We carried out CO oxidation on several platinum nanoparticle systems capped with various organic molecules to investigate the role of the capping agent on catalytic activity. Platinum colloid nanoparticles with four types of capping layer have been used: TTAB (Tetradecyltrimethylammonium Bromide), HDA (hexadecylamine), HDT (hexadecylthiol), and PVP (poly(vinylpyrrolidone)). The reactivity of the Pt nanoparticles varied by 30%, with higher activity on TTAB coated nanoparticles and lower activity on HDT, while the activation energy remained between 27 and 28 kcal/mol. In separate experiments, the organic capping layers were partially removed using ultraviolet light-ozone generation techniques, which resulted in increased catalytic activity due to the removal of some of the organic layers. These results indicate that the nature of chemical bonding between organic capping layers and nanoparticle surfaces plays a role in determining the catalytic activity of platinum colloid nanoparticles for carbon monoxide oxidation. C1 [Park, Jeong Y.; Aliaga, Cesar; Renzas, J. Russell; Lee, Hyunjoo] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Park, Jeong Y.; Aliaga, Cesar; Renzas, J. Russell; Lee, Hyunjoo] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Somorjai, Gabor A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Park, JY (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM jypark@lbl.gov; somorjai@berkeley.edu RI Park, Jeong Young/A-2999-2008; Lee, Hyunjoo/G-8034-2012 OI Lee, Hyunjoo/0000-0002-4538-9086 FU US Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geological and Biosciences and Division of Materials Sciences and Engineering of the US Department of Energy under contract No. DE-AC02-05CH11231. NR 32 TC 91 Z9 91 U1 4 U2 61 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1011-372X J9 CATAL LETT JI Catal. Lett. PD APR PY 2009 VL 129 IS 1-2 BP 1 EP 6 DI 10.1007/s10562-009-9871-8 PG 6 WC Chemistry, Physical SC Chemistry GA 420VW UT WOS:000264318300001 ER PT J AU Pathak, S Steinmetz, D Kuebler, J Payzant, EA Orlovskaya, N AF Pathak, Siddhartha Steinmetz, David Kuebler, Jakob Payzant, E. Andrew Orlovskaya, Nina TI Mechanical behavior of La0.8Sr0.2Ga0.8Mg0.2O3 perovskites SO CERAMICS INTERNATIONAL LA English DT Article DE Fracture; Mechanical properties; Perovskites; Fuel cells; Slow crack growth ID DOPED LANTHANUM GALLATE; OXIDE FUEL-CELLS; ION CONDUCTOR; TEMPERATURE; ELECTROLYTE; LAGAO3; ALUMINA; CRACK AB This paper examines the important mechanical properties of commercially purchased La0.8Sr0.2Ga0.8Mg0.2O3 at room temperature and 800 degrees C. Sr and Mg-doped lanthanum gallates (LSGM) are strong candidates for use as solid electrolytes in lower temperature solid oxide fuel cells operating at or below 800 degrees C. The material was found to be phase pure with a Young's modulus value of similar to 175 GPa. The four point bending strength of the LSGM samples remained almost constant from 121 +/- 35 MPa at room temperature to 126 +/- 20 MPa at 800 degrees C. The fracture toughness, as measured by the single edge V notch beam (SEVNB) method, was 1.22 +/- 0.06 MPa root m at room temperature, 1.04 +/- 0.09 MPa root m at 700 degrees C followed by a small increase 1.31 +/- 0.16 MPa root m at 800 degrees C. We also report, for the first time, the static subcritical (or slow) crack-growth (SCG) behavior of natural cracks in LSGM performed in four point bending tests at room temperature. The exponent of a power-law representation in the SCG tests was found to be n = 15, a rather low value showing LSGM to be highly susceptible to room temperature SCG. (C) 2008 Elsevier Ltd and Techna Group S.r.l. All rights reserved. C1 [Pathak, Siddhartha; Steinmetz, David] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Kuebler, Jakob] Empa Mat Sci & Technol, Lab High Performance Ceram, Dubendorf, Switzerland. [Payzant, E. Andrew] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN USA. [Orlovskaya, Nina] Univ Cent Florida, Dept Mech Mat & Aerosp Engn, Orlando, FL 32816 USA. RP Pathak, S (reprint author), 3141 Chestnut St,LeBow 344, Philadelphia, PA 19104 USA. EM sp324@drexel.edu RI Payzant, Edward/B-5449-2009; pelosato, renato/E-9950-2010; OI Payzant, Edward/0000-0002-3447-2060; Kuebler, Jakob/0000-0003-1331-0721 NR 31 TC 13 Z9 13 U1 1 U2 12 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 APR PY 2009 VL 35 IS 3 BP 1235 EP 1241 DI 10.1016/j.ceramint.2008.06.013 PG 7 WC Materials Science, Ceramics SC Materials Science GA 416OV UT WOS:000264016300048 ER PT J AU Baker, GA Wang, JJ Fan, M Weatherley, LR AF Baker, Gary A. Wang, Jianji Fan, Machong Weatherley, Laurence R. TI Special Issue: Application of Ionic Liquids in Chemical and Environmental Engineering Foreword SO CHEMICAL ENGINEERING JOURNAL LA English DT Editorial Material C1 [Baker, Gary A.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Wang, Jianji] Henan Normal Univ, Xinxiang, Peoples R China. [Fan, Machong] Univ Wyoming, Laramie, WY 82071 USA. [Weatherley, Laurence R.] Univ Kansas, Lawrence, KS 66045 USA. RP Baker, GA (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN USA. EM bakerga1@ornl.gov; jwang@henannu.edu.cn; mfan@uwyo.edu; lweather@ku.edu RI Baker, Gary/H-9444-2016 OI Baker, Gary/0000-0002-3052-7730 NR 0 TC 1 Z9 1 U1 0 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 1385-8947 J9 CHEM ENG J JI Chem. Eng. J. PD APR 1 PY 2009 VL 147 IS 1 BP 1 EP 1 DI 10.1016/j.cej.2008.11.008 PG 1 WC Engineering, Environmental; Engineering, Chemical SC Engineering GA 411PN UT WOS:000263661800001 ER PT J AU Baker, GA Heller, WT AF Baker, Gary A. Heller, William T. TI Small-angle neutron scattering studies of model protein denaturation in aqueous solutions of the ionic liquid 1-butyl-3-methylimidazolium chloride SO CHEMICAL ENGINEERING JOURNAL LA English DT Article DE Ionic liquids; Protein aggregation; Small-angle scattering; Chaotropes; Cytochrome c; Human serum albumin; Hofmeister series ID HUMAN-SERUM-ALBUMIN; X-RAY-SCATTERING; D,L-P-HYDROXYPHENYLGLYCINE METHYL-ESTER; CYTOCHROME-C; HORSERADISH-PEROXIDASE; ALPHA-CHYMOTRYPSIN; MOLTEN GLOBULE; ENHANCED ENANTIOSELECTIVITY; WATER ACTIVITY; LIPASE-B AB As we advance our understanding, ionic liquids (ILs) are finding ever broader scope within the chemical sciences including, most recently, pharmaceutical, enzymatic, and bioanalytical applications. With examples of enzymatic activity reported in both neat ILs and in IL/water mixtures, enzymes are frequently assumed to adopt a quasi-native conformation. even if little work has been carried out to date toward characterizing the conformation, dynamics, active-site perturbation, cooperativity of unfolding transitions, free energy of stabilization, or aggregation/oligomerization state of enzymes in the presence of an IL solvent component. In this study. human serum albumin and equine heart cytochrome c were characterized in aqueous solutions of the fully water-miscible IL 1-butyl-3-methylimidazolium chloride, [bmim]Cl, by small-angle neutron and X-ray scattering. At [bmim]Cl concentrations up to 25 vol.%, these two proteins were found to largely retain their higher-order structures whereas both proteins become highly denatured at the highest IL concentration studied here (i.e., 50vol.% [bmim]Cl). The response of these proteins to [bmim]Cl is analogous to their behavior in the widely studied denaturants guanidine hydrochloride and urea which similarly lead to random coil conformations at excessive molar concentrations. Interestingly, human serum albumin dimerizes in response to [bmim]Cl, whereas cytochrome c remains predominantly in monomeric form. These results have important implications for enzymatic studies in aqueous IL media, as they suggest a facile pathway through which biocatalytic activity can be altered in these nascent and potentially green electrolyte systems. Published by Elsevier B.V. C1 [Baker, Gary A.; Heller, William T.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Heller, William T.] Oak Ridge Natl Lab, Ctr Struct Mol Biol, Oak Ridge, TN 37831 USA. RP Baker, GA (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM bakerga1@ornl.gov; hellerwt@ornl.gov RI Baker, Gary/H-9444-2016 OI Baker, Gary/0000-0002-3052-7730 FU Wigner Fellowship of Oak Ridge National Laboratory; Office of Biological and Environmental Research of the U.S. Department of Energy [10111020110]; UT-Batelle, LLC. [DE-AC05-00OR22725] FX The authors thank Dr. Hugh M. O'Neill for access to the CD instrument used in this work. This work was supported by a Wigner Fellowship of Oak Ridge National Laboratory and by Project 10111020110 of the Office of Biological and Environmental Research of the U.S. Department of Energy, under contract no. DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed and operated by UT-Batelle, LLC. NR 75 TC 63 Z9 63 U1 3 U2 30 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 1385-8947 J9 CHEM ENG J JI Chem. Eng. J. PD APR 1 PY 2009 VL 147 IS 1 BP 6 EP 12 DI 10.1016/j.cej.2008.11.033 PG 7 WC Engineering, Environmental; Engineering, Chemical SC Engineering GA 411PN UT WOS:000263661800003 ER PT J AU Berry, J Ferrada, J Petrov, A Wilcher, K Calloway, TB AF Berry, Jan Ferrada, Juan Petrov, Andrei Wilcher, Kirby Calloway, T. Bond, Jr. TI Bringing a Star to Earth SO CHEMICAL ENGINEERING PROGRESS LA English DT Article C1 [Berry, Jan; Ferrada, Juan; Petrov, Andrei; Wilcher, Kirby] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Calloway, T. Bond, Jr.] Savannah River Natl Lab, Savannah, GA USA. RP Berry, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN USA. EM berryjb@ornl.gov; ferradajj@ornl.gov; petrovay@ornl.gov; witcherkl@ornl.gov; bond.calloway@srnl.doe.gov NR 0 TC 1 Z9 1 U1 1 U2 2 PU AMER INST CHEMICAL ENGINEERS PI NEW YORK PA 3 PARK AVE, NEW YORK, NY 10016-5901 USA SN 0360-7275 J9 CHEM ENG PROG JI Chem. Eng. Prog. PD APR PY 2009 VL 105 IS 4 BP 26 EP 32 PG 7 WC Engineering, Chemical SC Engineering GA 433HW UT WOS:000265195900013 ER PT J AU Ciferno, JP Fout, TE Jones, AP Murphy, JT AF Ciferno, Jared P. Fout, Timothy E. Jones, Andrew P. Murphy, James T. TI Capturing Carbon from Existing Coal-Fired Power Plants SO CHEMICAL ENGINEERING PROGRESS LA English DT Article C1 [Ciferno, Jared P.; Fout, Timothy E.] Natl Energy Technol Lab, US Dept Energys, Existing Plants Emiss & Capture Program, Existing Plants Div, Pittsburgh, PA 15236 USA. [Jones, Andrew P.; Murphy, James T.] Sci Applicat Int Corp, Mclean, VA 22102 USA. RP Ciferno, JP (reprint author), Natl Energy Technol Lab, US Dept Energys, Existing Plants Emiss & Capture Program, Existing Plants Div, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. EM jared.ciferno@netl.doe.gov NR 28 TC 82 Z9 87 U1 1 U2 19 PU AMER INST CHEMICAL ENGINEERS PI NEW YORK PA 3 PARK AVE, NEW YORK, NY 10016-5901 USA SN 0360-7275 J9 CHEM ENG PROG JI Chem. Eng. Prog. PD APR PY 2009 VL 105 IS 4 BP 33 EP 41 PG 9 WC Engineering, Chemical SC Engineering GA 433HW UT WOS:000265195900014 ER PT J AU Julia-Diaz, B Kamano, H Lee, TSH Matsuyama, A Sato, T Suzuki, N AF Julia-Diaz, B. Kamano, H. Lee, T. -S. H. Matsuyama, A. Sato, T. Suzuki, N. TI On the Methods for Constructing Meson-Baryon Reaction Models within Relativistic Quantum Field Theory SO CHINESE JOURNAL OF PHYSICS LA English DT Article ID EXCHANGE MODEL; SCATTERING; EQUATION AB Within the relativistic quantum field theory, we analyze the differences between the pi N reaction models constructed from using (1) three-dimensional reductions of the Bethe-Salpeter Equation, (2) the method of unitary transformation, and (3) time-ordered perturbation theory. Their relations with the approach based on the dispersion relations of S-matrix theory are dicusssed. C1 [Julia-Diaz, B.; Kamano, H.; Lee, T. -S. H.; Matsuyama, A.; Sato, T.; Suzuki, N.] Thomas Jefferson Natl Accelerator Facil, EBAC, Newport News, VA 23606 USA. [Julia-Diaz, B.] Univ Barcelona, Dept Estructura & Constituents Mat, E-08028 Barcelona, Spain. [Julia-Diaz, B.] Univ Barcelona, Inst Ciencies Cosmos, E-08028 Barcelona, Spain. [Lee, T. -S. H.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Matsuyama, A.] Shizuoka Univ, Dept Phys, Shizuoka 4228529, Japan. [Sato, T.; Suzuki, N.] Osaka Univ, Dept Phys, Osaka 5600043, Japan. RP Julia-Diaz, B (reprint author), Thomas Jefferson Natl Accelerator Facil, EBAC, Newport News, VA 23606 USA. RI Julia-Diaz, Bruno/E-5825-2010 OI Julia-Diaz, Bruno/0000-0002-0145-6734 FU U.S. Department of Energy, Office of Nuclear Physics Division [DE-AC02-06CH11357]; Jefferson Science Associates operates Jefferson Lab [DE-AC05-060R23177]; Japan Society for the Promotion of Science [20540270]; MCIIN [FIS2008-01661/FIS]; CPAN [CSD200700042] FX We thank C. Hanhart for bringing our attention to the double pole of the on-shell amplitude Eq. (92) in the model based on the method of unitary transformation. This work is supported by the U.S. Department of Energy, Office of Nuclear Physics Division, under contract No. DE-AC02-06CH11357, and Contract No. DE-AC05-060R23177 under which Jefferson Science Associates operates Jefferson Lab, and by the Japan Society for the Promotion of Science, Grant-in-Aid for Scientific Research(c) 20540270. This work is also partially supported by Grant No. FIS2008-01661/FIS from MCIIN and CPAN CSD200700042 Consolider Ingenio 2010 (Spain). NR 18 TC 7 Z9 8 U1 0 U2 1 PU PHYSICAL SOC REPUBLIC CHINA PI TAIPEI PA CHINESE JOURNAL PHYSICS PO BOX 23-30, TAIPEI 10764, TAIWAN SN 0577-9073 J9 CHINESE J PHYS JI Chin. J. Phys. PD APR PY 2009 VL 47 IS 2 BP 142 EP 158 PG 17 WC Physics, Multidisciplinary SC Physics GA 439VQ UT WOS:000265655900003 ER PT J AU Shaddix, CR Williams, TC AF Shaddix, Christopher R. Williams, Timothy C. TI Measurements of the velocity field in laminar ethylene inverse jet diffusion flames SO COMBUSTION AND FLAME LA English DT Article ID SOOT FORMATION; SEEDING PARTICLES; LDV MEASUREMENTS; YOUNG SOOT; THERMOPHORESIS; ETHENE C1 [Shaddix, Christopher R.; Williams, Timothy C.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. RP Shaddix, CR (reprint author), Sandia Natl Labs, Combust Res Facil, MS 9052, Livermore, CA 94550 USA. EM crshadd@sandia.gov NR 27 TC 9 Z9 9 U1 0 U2 3 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 APR PY 2009 VL 156 IS 4 BP 942 EP 945 DI 10.1016/j.combustflame.2009.01.017 PG 4 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 424QU UT WOS:000264582400019 ER PT J AU Williams, S Waterman, A Patterson, D AF Williams, Samuel Waterman, Andrew Patterson, David TI Roofline: An Insightful Visual Performance Model for Multicore Architectures SO COMMUNICATIONS OF THE ACM LA English DT Article ID SYSTEMS C1 [Williams, Samuel] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Waterman, Andrew; Patterson, David] Univ Calif Berkeley, Parallel Comp Lab, Berkeley, CA 94720 USA. RP Williams, S (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA USA. EM SWWilliams@lbl.gov; waterman@eecs.berkeley.edu; pattrsn@eecs.berkeley.edu FU Intel; Microsoft; U. S. Department of Energy Office of Science [DE-AC02-05CH11231] FX This research was sponsored in part by the Universal Parallel Computing Research Center funded by Intel and Microsoft and in part by the Office of Advanced Scientific Computing Research in the U. S. Department of Energy Office of Science under contract number DE-AC02-05CH11231. We'd like to thank FZ-Julich and Georgia Tech for access to Cell blades and Joseph Gebis, Leonid Oliker, John Shalf, Katherine Yelick, and the rest of the Par Lab for feedback on Roofline, and to Jike Chong, Kaushik Datta, Mark Hoemmen, Matt Johnson, Jae Lee, Rajesh Nishtala, Heidi Pan, David Wessel, Mark Hill, and the anonymous reviewers for insightful feedback on early drafts. NR 30 TC 238 Z9 242 U1 0 U2 10 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 0001-0782 J9 COMMUN ACM JI Commun. ACM PD APR PY 2009 VL 52 IS 4 BP 65 EP 76 DI 10.1145/1498765.1498785 PG 12 WC Computer Science, Hardware & Architecture; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 430LW UT WOS:000264991600023 ER PT J AU Booth, TE Gubernatis, JE AF Booth, T. E. Gubernatis, J. E. TI Sewing algorithm SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article; Proceedings Paper CT Conference on Computational Physics (CCP 2008) CY AUG 05-09, 2008 CL Ouro Preto, BRAZIL SP Int Union Pure & Appl Phys, Brazilian Phys Soc, Amer Phys Soc, European Phys Soc, Univ Fed Ouro Preto, Univ Fed Minas Gerais, CNPq, CAPES, FAPEMIG, FINEP, MCT DE Monte Carlo; Transfer matrix; Ising model ID CRUMPLED ELASTIC SHEET; STATISTICAL-MECHANICS; TETHERED MEMBRANES; THIN SHEETS; TRANSITION; DYNAMICS; PLATE AB We present a procedure that in many cases enables the Monte Carlo sampling of states of a large system from the sampling of states of a smaller system. We illustrate this procedure, which we call the sewing algorithm, for sampling states from the transfer matrix of the two-dimensional Ising model. (C) 2008 Elsevier B.V. All rights reserved. C1 [Gubernatis, J. E.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Booth, T. E.] Los Alamos Natl Lab, Div Appl Phys, Los Alamos, NM 87545 USA. RP Gubernatis, JE (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM jg@lanl.gov NR 45 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 EI 1879-2944 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD APR PY 2009 VL 180 IS 4 SI SI BP 509 EP 516 DI 10.1016/j.cpc.2008.11.009 PG 8 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 433WU UT WOS:000265237300009 ER PT J AU Hur, MS Wurtele, JS AF Hur, Min Sup Wurtele, Jonathan S. TI Two-dimensional simulations of the amplification and focusing of intense laser pulses in the kinetic regime of Raman backward amplification in plasmas SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article; Proceedings Paper CT Conference on Computational Physics (CCP 2008) CY AUG 05-09, 2008 CL Ouro Preto, BRAZIL SP Int Union Pure & Appl Phys, Brazilian Phys Soc, Amer Phys Soc, European Phys Soc, Univ Fed Ouro Preto, Univ Fed Minas Gerais, CNPq, CAPES, FAPEMIG, FINEP, MCT DE Raman scattering; Plasma simulation; Amplification ID AMPLIFIERS; FOCUSABILITY; PUMP AB Focusing of an intense laser pulse produced by backward Raman pulse amplification (BRA) has been numerically studied using a two-dimensional, axisymmetric kinetic model. The two-dimensional averaged particle-in-cell (aPIC) simulation assumes slowly varying field envelopes and is comprised of one-dimensional sub-models that are coupled radially through laser diffraction. A converging 33 TW seed pulse was amplified up to 1 PW. The focusing of the seed pulse, even when particle trapping was important, was maintained. It was also found that the focusing properties of the pulse tail can lead to some rewidening of the longitudinal pulse duration and some ideas for eliminating this effect were suggested. Simulations performed for various plasma densities and temperatures exhibited robust amplification and pulse shortening. (c) 2009 Elsevier B.V. All rights reserved. C1 [Hur, Min Sup] UNIST, Ulsan 689805, South Korea. [Wurtele, Jonathan S.] Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Beam Phys, Berkeley, CA 94720 USA. [Wurtele, Jonathan S.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Hur, MS (reprint author), UNIST, BanYeon Ri 194, Ulsan 689805, South Korea. EM mshur@unist.ac.kr; JSWurtele@lbl.gov RI wurtele, Jonathan/J-6278-2016 OI wurtele, Jonathan/0000-0001-8401-0297 NR 16 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 APR PY 2009 VL 180 IS 4 BP 651 EP 655 DI 10.1016/j.cpc.2009.01.013 PG 5 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 433WU UT WOS:000265237300037 ER PT J AU Gahegan, M Luo, JY Weaver, SD Pike, W Banchuen, T AF Gahegan, Mark Luo, Junyan Weaver, Stephen D. Pike, William Banchuen, Tawan TI Connecting GEON: Making sense of the myriad resources, researchers and concepts that comprise a geoscience cyberinfrastructure SO COMPUTERS & GEOSCIENCES LA English DT Article; Proceedings Paper CT Fall Meeting of the American-Geophysical-Union CY DEC, 2006 CL San Francisco, CA SP Amer Geophys Union DE Cyberinfrastructure; Knowledge browsing; Ontology; GEON; Semantics; Perspectives ID SEMANTIC WEB; KNOWLEDGE; SCIENCE; ONTOLOGIES; REPRESENTATION; ACQUISITION; NETWORKS; CREATION AB Simply placing electronic geoscience resources such as datasets, methods, ontologies, workflows and articles in a digital library or cyberinfrastructure does not mean that they will be used successfully by other researchers or educators. It is also necessary to provide the means to locate potentially useful content, and to understand it. Without suitable provision for these needs, many useful resources will go undiscovered, or else will be found but used inappropriately. In this article, we describe an approach to discovering, describing and understanding e-resources based on the notion that meaning is carried in the interconnections between resources and the actors in the cyberinfrastructure (including individuals, groups, organizations), as well as by ontologies and conventional metadata. Navigation around this universe is achieved by implementing the idea of perspectives as dynamic, conceptual views (defined by SPARQL-like queries against an OWL schema) that not only act as filters, but also dynamically promote and demote concepts, relationships and properties according to their immediate relevance. We describe a means to represent a wide variety of interactions between resources using the notion of a knowledge nexus, and we illustrate its use with resources and actors from the Geosciences Network (GEON) cyberinfrastructure community. We also closely link browsing and visualizing strategies to our nexus, drawing on ideas from semiotics to move resources and connections not currently of interest from the foreground to the background, and vice versa, using a new form of adaptive perspective. We illustrate our ideas via ConceptVista, an open-source concept mapping application that provides rich, visual depictions of the resources, cyber-community and myriad connections between them. Examples are presented that show how geoscientific knowledge can be explored not only via ontological structure, but also by use cases, social networks, citation graphs and organization charts; all of which may carry some aspects of meaning for the user. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Gahegan, Mark] Univ Auckland, Sch Geog Geol & Environm Sci, Auckland 1, New Zealand. [Gahegan, Mark] Univ Auckland, Ctr eRes, Auckland 1, New Zealand. [Gahegan, Mark; Luo, Junyan; Weaver, Stephen D.; Banchuen, Tawan] Penn State Univ, Dept Geog, GeoVISTA Ctr, University Pk, PA 16802 USA. [Pike, William] Pacific NW Natl Lab, Richland, WA USA. RP Gahegan, M (reprint author), Univ Auckland, Ctr eRes, Auckland 1, New Zealand. EM m.gahegan@auckland.ac.nz RI Gahegan, Mark/C-9297-2009 NR 64 TC 17 Z9 17 U1 0 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD APR PY 2009 VL 35 IS 4 BP 836 EP 854 DI 10.1016/j.cageo.2008.09.006 PG 19 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA 437GS UT WOS:000265475500015 ER PT J AU Wienke, BR AF Wienke, B. R. TI Diving decompression models and bubble metrics: Modern computer syntheses SO COMPUTERS IN BIOLOGY AND MEDICINE LA English DT Article DE Dive computers; Decompression models; Bubble metrics; Diver staging; Computer algorithms ID GAS; SICKNESS; TISSUE; CAVITATION; GROWTH; AIR; DYNAMICS; PHYSICS; NUCLEI; RATS AB A quantitative summary of computer models in diving applications is presented, underscoring dual phase dynamics and quantifying metrics in tissue and blood. Algorithms covered include the multitissue, diffusion, split phase gradient, linear-exponential, asymmetric tissue, thermodynamic, varying permeability, reduced gradient bubble, tissue bubble diffusion, and linear-exponential phase models. Defining relationships are listed, and diver staging regimens are underscored. Implementations, diving sectors, and correlations are indicated for models with a history of widespread acceptance, utilization, and safe application across recreational, scientific, military, research, and technical communities. Presently, all models are incomplete, but many (included above) are useful, having resulted in diving tables, underwater meters, and dive planning software. Those herein employ varying degrees of calibration and data tuning. We discuss bubble metrics in tissue and blood as a backdrop against computer models. The past 15 years, or so, have witnessed changes and additions to diving protocols and table procedures, such as shorter nonstop time limits, slower ascent rates, shallow safety stops, ascending repetitive profiles, deep decompression stops, helium based breathing mixtures, permissible reverse profiles, multilevel techniques, both faster and slower controlling repetitive tissue halftimes, smaller critical tensions, longer flying-after-diving surface intervals, and others. Stimulated by Doppler and imaging technology, table and decompression meter development, theory, statistics, chamber and animal testing, or safer diving consensus, these modifications affect a gamut of activity, spanning bounce to decompression, single to multiday, and air to mixed gas diving. As it turns out, there is growing support for many protocols on operational, experimental, and theoretical grounds, with bubble models addressing many concerns on plausible bases, but with further testing or profile data analyses requisite. (c) 2009 Elsevier Ltd. All rights reserved. C1 Los Alamos Natl Lab, Appl & Computat Phys Div, Los Alamos, NM 87545 USA. RP Wienke, BR (reprint author), Los Alamos Natl Lab, Appl & Computat Phys Div, MS F699, Los Alamos, NM 87545 USA. EM brw@lanl.gov NR 93 TC 8 Z9 9 U1 0 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0010-4825 J9 COMPUT BIOL MED JI Comput. Biol. Med. PD APR PY 2009 VL 39 IS 4 BP 309 EP 331 DI 10.1016/j.compbiomed.2008.12.013 PG 23 WC Biology; Computer Science, Interdisciplinary Applications; Engineering, Biomedical; Mathematical & Computational Biology SC Life Sciences & Biomedicine - Other Topics; Computer Science; Engineering; Mathematical & Computational Biology GA 436SJ UT WOS:000265435300001 PM 19251254 ER PT J AU Custelcean, R Remy, P AF Custelcean, Radu Remy, Priscilla TI Selective Crystallization of Urea-Functionalized Capsules with Tunable Anion-Binding Cavities SO CRYSTAL GROWTH & DESIGN LA English DT Article ID METAL-ORGANIC FRAMEWORK; HYDROGEN-BONDING GROUPS; SYNTHETIC RECEPTORS; SOLID-STATE; WATER; RECOGNITION; COORDINATION; PROTEIN; COMPLEXATION; SEPARATION AB Herein we report crystallization of self-assembled capsules functionalized with urea hydrogen-bonding groups as a means for selective separation of sulfate anion. The high complementarity and the rigid environment found in such crystalline systems impart strong discrimination between anions of different shape, like sulfate and sulfite, or anions of the same shape but slightly different size, like sulfate and selenate, with selectivity that exceeds that observed in sulfate-binding protein. Similar to natural receptors, these crystalline capsules completely isolate the anions from the aqueous solvent by encapsulating them inside rigid cavities lined with complementary hydrogen-bonding groups. Furthermore, the capsules are made from flexible building blocks, whose structure and relative orientation in the crystal can be allosterically regulated to fine-tune the anion selectivity. These characteristics suggest that crystallization of such urea-functionalized capsules from simple and flexible components represents a particularly promising approach for selective anion separation from highly competitive aqueous environments. C1 [Custelcean, Radu; Remy, Priscilla] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Custelcean, R (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008,MS 6119, Oak Ridge, TN 37831 USA. EM custelceanr@ornl.gov RI Custelcean, Radu/C-1037-2009 OI Custelcean, Radu/0000-0002-0727-7972 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC05-00OR22725] FX This research was sponsored by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy, under Contract DE-AC05-00OR22725, with Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC. NR 45 TC 45 Z9 45 U1 0 U2 17 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 APR PY 2009 VL 9 IS 4 BP 1985 EP 1989 DI 10.1021/cg801299a PG 5 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA 427SA UT WOS:000264798200052 ER PT J AU Weyens, N van der Lelie, D Taghavi, S Vangronsveld, J AF Weyens, Nele van der Lelie, Daniel Taghavi, Safiyh Vangronsveld, Jaco TI Phytoremediation: plant-endophyte partnerships take the challenge Phytoremediation: plant-endophyte partnerships take the challenge SO CURRENT OPINION IN BIOTECHNOLOGY LA English DT Review ID HORIZONTAL GENE-TRANSFER; ENHANCED METAL UPTAKE; HEAVY-METAL; BACTERIAL ENDOPHYTES; POPLAR TREES; RHIZOSPHERE-BACTERIA; ORGANIC POLLUTANTS; CONTAMINATED SOILS; PHYTOEXTRACTION; PHYTOTOXICITY AB A promising field to exploit plant-endophyte partnerships is the remediation of contaminated soils and (ground) water. Many plant growth promoting endophytes can assist their host plant to overcome contaminant-induced stress responses, thus providing improved plant growth. During phytoremediation of organic contaminants, plants can further benefit from endophytes possessing appropriate degradation pathways and metabolic capabilities, leading to more efficient contaminant degradation and reduction of both phytotoxicity and evapotranspiration of volatile contaminants. For phytoremediation of toxic metals, endophytes possessing a metal-resistance/sequestration system can lower metal phytotoxicity and affect metal translocation to the above-ground plant parts. Furthermore, endophytes that can degrade organic contaminants and deal with or, even better, improve extraction of the metals offer promising ways to improve phytoremediation of mixed pollution. C1 [Weyens, Nele; Vangronsveld, Jaco] Hasselt Univ, Dept Environm Biol, CMK, B-3590 Diepenbeek, Belgium. [van der Lelie, Daniel; Taghavi, Safiyh] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Weyens, N (reprint author), Hasselt Univ, Dept Environm Biol, CMK, Univ Campus Bldg D, B-3590 Diepenbeek, Belgium. EM nele.weyens@uhasselt.be; vdlelied@bnl.gov; taghavis@bnl.gov; jaco.vangronsveld@uhasselt.be NR 50 TC 153 Z9 164 U1 12 U2 107 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0958-1669 J9 CURR OPIN BIOTECH JI Curr. Opin. Biotechnol. PD APR PY 2009 VL 20 IS 2 BP 248 EP 254 DI 10.1016/j.copbio.2009.02.012 PG 7 WC Biochemical Research Methods; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 464QT UT WOS:000267521400020 PM 19327979 ER PT J AU Hsueh, CH Kelly, JR AF Hsueh, C. H. Kelly, J. R. TI Simple solutions of multilayered discs subjected to biaxial moment loading SO DENTAL MATERIALS LA English DT Article DE Biaxial flexure test; Dental ceramics; Multilayer; Stress distribution ID LAMINATE VENEERING MATERIAL; DENTAL CERAMICS; FLEXURE TESTS; RESIDUAL-STRESSES; THERMAL-STRESSES; CEMENT LUTE; STRENGTH; PORCELAIN; SYSTEMS; LAYER AB Objectives. The purpose of this study was to derive a simple closed-form solution for the stress distribution through the thickness of multilayered discs subjected to biaxial moment loading, such that it can be used readily to evaluate the biaxial strength of multilayered dental ceramics using biaxial flexure tests. Methods. A simple analytical model was developed to derive the stress distribution through the thickness of multilayered discs subjected to biaxial moment loading. The accuracy of the solution was verified by comparing with previous rigorous analytical solutions and finite element results. The results obtained from Roark's formulas for bilayered discs were also included for comparison. Results. Examples of porcelain/zirconia bilayered discs subjected to ring-on-ring and piston-on-ring loadings were used for comparison among different analyses. Despite the simplicity in deriving the present solution, it is sufficiently accurate in comparing with previous rigorous solutions and finite element results. Also, if the biaxial stresses on the top and the bottom surfaces of the disc can be measured during testing, the biaxial stress/strain through the entire thickness of the multilayered disc can be determined using equations derived in the present model. Significance. International Organization for Standardization has selected piston-on-three-ball tests to establish ISO 6872 for dentistry-ceramic materials. However, monolayered specimens are considered in tests for this standard. While dental materials are usually fabricated into layered structures, modification of the current standard is essential. Our simple closed-form solution serves as a basis for extending the current standard to multilayered systems. (C) 2008 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved. C1 [Hsueh, C. H.] Natl Taiwan Univ, Dept Mat Sci & Engn, Taipei 106, Taiwan. [Hsueh, C. H.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Hsueh, C. H.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Kelly, J. R.] Univ Connecticut, Dent Clin Res Ctr, Ctr Hlth, Farmington, CT 06030 USA. RP Hsueh, CH (reprint author), Natl Taiwan Univ, Dept Mat Sci & Engn, Taipei 106, Taiwan. EM hsuehc@ornl.gov RI Hsueh, Chun-Hway/G-1345-2011 FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory [DE-AC05-00OR22725]; LLC and National Science Council, Taiwan [NSC96-2811-E-002-022] FX The authors thank Dr. G.A. Thompson for stimulating discussions. This research was jointly sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory under contract DE-AC05-00OR22725 with UT-Battelle, LLC and National Science Council, Taiwan under Contract No. NSC96-2811-E-002-022. NR 35 TC 7 Z9 8 U1 1 U2 17 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0109-5641 J9 DENT MATER JI Dent. Mater. PD APR PY 2009 VL 25 IS 4 BP 506 EP 513 DI 10.1016/j.dental.2008.10.002 PG 8 WC Dentistry, Oral Surgery & Medicine; Materials Science, Biomaterials SC Dentistry, Oral Surgery & Medicine; Materials Science GA 422ZV UT WOS:000264467100013 PM 19036422 ER PT J AU Kang, SH Thackeray, MM AF Kang, Sun-Ho Thackeray, Michael M. TI Enhancing the rate capability of high capacity xLi(2)MnO(3) center dot (1-x)LiMO2 (M = Mn, Ni, Co) electrodes by Li-Ni-PO4 treatment SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE Lithium battery; Lithium nickel phosphate; Surface stability; Rate ID LITHIUM-ION BATTERIES; ELECTROCHEMICAL PROPERTIES; CATHODE MATERIALS; LI; IMPROVEMENT; CELLS AB The rate capability of high capacity xLi(2)MnO(3) center dot (1 - x)LiMO2 (M = Mn, Ni, Co) electrodes for lithium-ion batteries has been significantly enhanced by stabilizing the electrode surface by reaction with a Li-NiPO4 solution, followed by a heat-treatment step. Reversible capacities of 250 mAh/g at a C/11 rate, 225 mAh/g at C/2 and 200 mAh/g at C/1 have been obtained from 0.5Li(2)MnO(3) - 0.5LiNi(0.44)Co(0.25)Mn(0.31)O(2) electrodes between 4.6 and 2.0 V. The data bode well for their implementation in batteries that meet the 40-mile range requirement for plug-in hybrid vehicles. (C) 2009 Elsevier B.V. All rights reserved. C1 [Kang, Sun-Ho; Thackeray, Michael M.] Argonne Natl Lab, Electrochem Energy Storage Dept, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Kang, SH (reprint author), Argonne Natl Lab, Electrochem Energy Storage Dept, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM sunho.kang@anl.gov RI Kang, Sun-Ho/E-7570-2010 FU Office of Vehicle Technologies of the US Department of Energy FX Financial support from the Office of Vehicle Technologies of the US Department of Energy is gratefully acknowledged.; The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a US Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. The US 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 16 TC 233 Z9 247 U1 6 U2 97 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1388-2481 J9 ELECTROCHEM COMMUN JI Electrochem. Commun. PD APR PY 2009 VL 11 IS 4 BP 748 EP 751 DI 10.1016/j.elecom.2009.01.025 PG 4 WC Electrochemistry SC Electrochemistry GA 435KD UT WOS:000265341900008 ER PT J AU Nam, KW Wang, XJ Yoon, WS Li, H Huang, XJ Haas, O Bai, JM Yang, XQ AF Nam, Kyung-Wan Wang, Xiao-Jian Yoon, Won-Sub Li, Hong Huang, Xuejie Haas, Otto Bai, Jianming Yang, Xiao-Qing TI In situ X-ray absorption and diffraction studies of carbon coated LiFe1/4Mn1/4Co1/4Ni1/4PO4 cathode during first charge SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE Lithium batteries; Olivine structure; LiFePO4; In situ X-ray diffraction; X-ray near edge structure ID LITHIUM BATTERIES; LIFEPO4; EXTRACTION; LIMNPO4; LICOPO4 AB Synchrotron based in situ X-ray absorption spectroscopy (XAS) and X-ray diffraction (XRD) techniques are used to study electronic and crystal structure changes of the carbon coated LiFe1/4Mn1/4Co1/4Ni1/4PO4 (LiFe1/4Mn1/4Co1/4Ni1/4PO4/C) cathode material for Li-ion batteries during the first charge. In situ Fe, Mn, Co and Ni K-edge XAS results revealed that the three voltage plateaus at similar to 3.6, 4.2 and 4.7 V vs. Li/Li+ are attributed to the redox reactions of Fe2+/Fe3+, Mn2+/Mn3+ and Co2+/Co3+, respectively, while the apparent capacities above 4.9 V is not originated from the Ni2+/Ni3+ redox, but very likely from the electrolyte decomposition. Interesting phase transition behaviors of LiFe1/4Mn1/4Co1/4Ni1/4PO4/C were observed with the formation of an intermediate phase and the solid solution regions. Combined in situ XAS and XRD techniques indicate fast electronic structural changes and slow bulk crystal structural changes. (C) 2009 Elsevier B.V. All rights reserved. C1 [Nam, Kyung-Wan; Wang, Xiao-Jian; Yoon, Won-Sub; Haas, Otto; Yang, Xiao-Qing] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Li, Hong; Huang, Xuejie] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. [Bai, Jianming] Univ Tennessee, Coll Engn, Knoxville, TN 37996 USA. RP Yang, XQ (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM xyang@bnl.gov RI Li, Hong/C-4643-2008; Nam, Kyung-Wan Nam/G-9271-2011; Yoon, Won-Sub/H-2343-2011; Nam, Kyung-Wan/B-9029-2013; Nam, Kyung-Wan/E-9063-2015; Bai, Jianming/O-5005-2015 OI Li, Hong/0000-0002-8659-086X; Nam, Kyung-Wan/0000-0001-6278-6369; Nam, Kyung-Wan/0000-0001-6278-6369; FU US Department of Energy [DEAC02-98CH10886]; Nature Scientific Foundation of China [50730005, 60621061]; 863 Project [2006AA03Z228]; 973 Project [2007CB936501] FX The work at BNL was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies, under the program of "Hybrid and Electric Systems", of the US Department of Energy under Contract No. DEAC02-98CH10886. The work at Institute of Physics in CAS was supported by Nature Scientific Foundation of China (50730005, 60621061), "863" Project (2006AA03Z228) and "973" Project (2007CB936501). NR 16 TC 39 Z9 44 U1 6 U2 84 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1388-2481 J9 ELECTROCHEM COMMUN JI Electrochem. Commun. PD APR PY 2009 VL 11 IS 4 BP 913 EP 916 DI 10.1016/j.elecom.2009.02.031 PG 4 WC Electrochemistry SC Electrochemistry GA 435KD UT WOS:000265341900050 ER PT J AU Carrado, KA Komadel, P AF Carrado, Kathleen A. Komadel, Peter TI Acid Activation of Bentonites and Polymer-Clay Nanocomposites SO ELEMENTS LA English DT Article DE acid activation; surface modification; polymer-clay nanocomposite; montmorillonite ID LAYERED SILICATE NANOCOMPOSITES; SMECTITES AB Modified bentonites are of widespread technological importance. Common modifications include acid activation and organic treatment. Acid activation has been used for decades to prepare bleaching earths for adsorbing impurities from edible and industrial oils. Organic treatment has sparked an explosive interest in a class of materials called polymer-clay nanocomposites (PCNs). The most commonly used clay mineral in PCNs is montmorillonite, which is the main constituent of bentonite. PCN materials are used for structural reinforcement and mechanical strength, for gas permeability barriers, as flame retardants, and to minimize surface erosion (ablation). Other specialty applications include use as conducting nanocomposites and bionanocomposites. C1 [Carrado, Kathleen A.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Komadel, Peter] Slovak Acad Sci, Inst Inorgan Chem, SK-84536 Bratislava, Slovakia. RP Carrado, KA (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM kcarrado@anl.com; Peter.Komadel@savba.sk FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Slovak granting agencies [APVV-51-050505, VEGA 2/6177/26] FX We thank numerous colleagues and Students who worked with us over the years on chemical modifications of clays and polymer-clav nanocomposites. KAC acknowledges support of the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357. PK acknowledges support of the Slovak granting agencies (projects APVV-51-050505 and VEGA 2/6177/26). NR 30 TC 20 Z9 20 U1 0 U2 7 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 1811-5209 J9 ELEMENTS JI Elements PD APR PY 2009 VL 5 IS 2 BP 111 EP 116 DI 10.2113/gselements.5.2.111 PG 6 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 443GQ UT WOS:000265898600008 ER PT J AU Coughlin, K Piette, MA Goldman, C Kiliccote, S AF Coughlin, Katie Piette, Mary Ann Goldman, Charles Kiliccote, Sila TI Statistical analysis of baseline load models for non-residential buildings SO ENERGY AND BUILDINGS LA English DT Article DE Demand response; Baseline load profile; Impacts estimation AB Policymakers are encouraging the development of standardized and consistent methods to quantify the electric load impacts of demand response programs. For load impacts, an essential part of the analysis is the estimation of the baseline load profile. In this paper, we present a statistical evaluation of the performance of several different models used to calculate baselines for commercial buildings participating in a demand response program in California. in our approach, we use the model to estimate baseline loads for a large set of proxy event days for which the actual load data are also available. Measures of the accuracy and bias of different models, the importance of weather effects, and the effect of applying morning adjustment factors (which use data from the day of the event to adjust the estimated baseline) are presented. Our results suggest that (1) the accuracy of baseline load models can be improved substantially by applying a morning adjustment, (2) the characterization of building loads by variability and weather sensitivity is a useful indicator of which types of baseline models will perform well, and (3) models that incorporate temperature either improve the accuracy of the model fit or do not change it. (C) Published by Elsevier B.V. C1 [Coughlin, Katie; Piette, Mary Ann; Goldman, Charles; Kiliccote, Sila] Lawrence Berkeley Natl Lab, Demand Response Res Ctr, Berkeley, CA 94705 USA. RP Coughlin, K (reprint author), Lawrence Berkeley Natl Lab, Demand Response Res Ctr, 1 Cyclotron RD, Berkeley, CA 94705 USA. EM kcoughlin@lbl.gov FU California Energy Commission; Public Interest Energy Research Program [150-99-003]; Am #1; Office of Electricity Delivery and Energy Reliability, Permitting, Siting and Analysis of the U.S. Department of Energy [DE-AC02-05CH11231] FX Researchers who contributed to this paper include Ranjit Bharvirkar and June Han at Lawrence Berkeley National Laboratory (LBNL). The authors are grateful for the support from Mike Gravely, Martha Brook, and Kristy Chew (California Energy Commission). NR 13 TC 37 Z9 40 U1 2 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0378-7788 J9 ENERG BUILDINGS JI Energy Build. PD APR PY 2009 VL 41 IS 4 BP 374 EP 381 DI 10.1016/j.enbuild.2008.11.002 PG 8 WC Construction & Building Technology; Energy & Fuels; Engineering, Civil SC Construction & Building Technology; Energy & Fuels; Engineering GA 426JS UT WOS:000264704700002 ER PT J AU Hong, TZ AF Hong, Tianzhen TI A close look at the China Design Standard for Energy Efficiency of Public Buildings SO ENERGY AND BUILDINGS LA English DT Article DE ASHRAE 90.1; Building energy standard; China; Commercial buildings; Energy efficiency; GB50189-2005 AB This paper takes a close look at the China national standard GB50189-2005, Design Standard for Energy Efficiency of Public Buildings, which was enforced on July 1, 2005. The paper first reviews the standard, then compares the standard with ASHRAE Standard 90.1-2004 to identify discrepancies in code coverage and stringency, and recommends some energy conservation measures that can be evaluated in the design of public buildings to achieve energy savings beyond the standard. The paper also highlights several important features of 90.1-2004 that may be considered as additions to the GB50189-2005 standard during the next revision. At the end the paper summarizes the latest developments in building energy standards and rating systems in China and the US. (C) Published by Elsevier B.V. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Hong, TZ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, 1 Cyclotron Road, Berkeley, CA 94720 USA. EM thong@lbl.gov RI Hong, Tianzhen/D-3256-2013 FU Assistant Secretary for Energy Efficiency and Renewable Energy, Building Technologies; U.S. Department of Energy [DE-AC02-05CHI1231] FX This work was partially supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Building Technologies, U.S. Department of Energy under Contract No. DE-AC02-05CHI1231. The author would like to thank Fred Buhl of LBNL for helping review the paper and Joe Huang of Whiteboard Technology for providing some reference materials. NR 18 TC 53 Z9 56 U1 0 U2 11 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0378-7788 J9 ENERG BUILDINGS JI Energy Build. PD APR PY 2009 VL 41 IS 4 BP 426 EP 435 DI 10.1016/j.enbuild.2008.11.003 PG 10 WC Construction & Building Technology; Energy & Fuels; Engineering, Civil SC Construction & Building Technology; Energy & Fuels; Engineering GA 426JS UT WOS:000264704700008 ER PT J AU Panessa-Warren, BJ Maye, MM Warren, JB Crosson, KM AF Panessa-Warren, Barbara J. Maye, Mathew M. Warren, John B. Crosson, Kenya M. TI Single walled carbon nanotube reactivity and cytotoxicity following extended aqueous exposure SO ENVIRONMENTAL POLLUTION LA English DT Article DE Carbon nanotubes; Cytotoxicity; Human lung cells; FTIR; Carbon lattice oxidation; NOM ID GAS COMBUSTION SOURCES; ENGINEERED NANOPARTICLES; FULLERENE; NANOMATERIALS; PURIFICATION; ENVIRONMENT; TEM; AGGREGATION; BEHAVIOR; C-60 AB Globally carbon nanoparticles are increasingly utilized, yet it is not known if these nanoparticles pose a threat to the environment or human health. This investigation examined 'as-prepared'. and acid cleaned carbon nanoparticle physicochemical characteristics (by FTIR, TEM, FESEM, UV-VIS and X-ray microanalysis), and whether these characteristics changed following 2.5-7 yr exposure to pH neutral saline or fresh water. To determine if these aqueous aged nanotubes were cytotoxic, these nanotubes were incubated with human epithelial monolayers and analyzed for cell viability (vital staining) and ultrastructural nanoparticle binding/localization (TEM, FESEM). The presence of Ni and Y catalyst, was less damaging to cells than CNT lattice surface oxidation. Extended fresh water storage of oxidized CNTs did not reduce surface reactive groups, nor lessen cell membrane destruction or cell death. However storing oxidized CNTs in saline or NOM significantly reduced CNT-induced cell membrane damage and increased cell survival to control levels. Published by Elsevier Ltd. C1 [Panessa-Warren, Barbara J.] Brookhaven Natl Lab, Dept Energy Sci & Technol, Upton, NY 11973 USA. [Maye, Mathew M.; Warren, John B.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Warren, John B.] Brookhaven Natl Lab, Instrumentat Div, Upton, NY 11973 USA. [Crosson, Kenya M.] Univ Dayton, Dept Civil & Environm Engn & Mech, Dayton, OH 45469 USA. RP Panessa-Warren, BJ (reprint author), Brookhaven Natl Lab, Dept Energy Sci & Technol, 12 S Upton,POB 5000, Upton, NY 11973 USA. EM bpanessa@bnl.gov FU DOE Laboratory Directed Research Development [2850]; Brookhaven Science Associates, LLC [DE-AC02-98CH10886]; U.S. Department of Energy FX This work has been funded by a DOE Laboratory Directed Research Development Grant (2850). This manuscript has been authored by Brookhaven Science Associates, LLC under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy. The United States Government retains, and the publisher, by accepting the article for publication, acknowledges, a worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for the United States Government purposes. NR 42 TC 28 Z9 29 U1 2 U2 16 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0269-7491 J9 ENVIRON POLLUT JI Environ. Pollut. PD APR PY 2009 VL 157 IS 4 BP 1140 EP 1151 DI 10.1016/j.envpol.2008.12.028 PG 12 WC Environmental Sciences SC Environmental Sciences & Ecology GA 427MF UT WOS:000264782700012 PM 19201512 ER PT J AU Sherman, SR AF Sherman, Steven R. TI Nuclear Powered CO2 Capture from the Atmosphere SO ENVIRONMENTAL PROGRESS & SUSTAINABLE ENERGY LA English DT Article DE lime kiln; HTGR; helium ID AIR; TEMPERATURE; REACTOR; ENERGY; HTTR AB A process for capturing CO2 from the atmosphere was recently proposed, This process uses a closed cycle of sodium and calcium hydroxide, carbonate, and oxide transformations to capture dilute CO2 from the atmosphere and to generate a concentrated stream Of CO2 that is amenable to sequestration or subsequent chemical transformations. In one of the process steps, a fossil-fueled lime kiln is needed, which reduces the net CO2 capture of the process, It is proposed to replace the fossil-fueled lime kiln with a modified kiln heated by a high-temperature nuclear reactor This will have the of effect of eliminating the use of,fuels for the process and increasing the net CO2 capture. Although the process is suitable to support sequestration, the use of a nuclear power source for The process provides additional capabilities , and the captured CO2 may be combined with nuclear produced hydrogen to manufacture liquid fuels via Fischer-Tropsch synthesis or other technologies. Conceivably such plants would be carbon-neutral and could be placed virtually anywhere without being lied to fossil fuel source or geological sequestration sites. (C) 2009 American Institute of Chemical Engineers Environ Prog, 28: 52-59, 2009 C1 Savannah River Natl Lab, Hydrogen & Alternat Energy Programs Dept, Aiken, SC 29808 USA. RP Sherman, SR (reprint author), Savannah River Natl Lab, Hydrogen & Alternat Energy Programs Dept, Aiken, SC 29808 USA. EM steven.sherman@srnl.doe.gov NR 34 TC 10 Z9 10 U1 1 U2 9 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1944-7442 J9 ENVIRON PROG SUSTAIN JI Environ. Prog. Sustain. Energy PD APR PY 2009 VL 28 IS 1 BP 52 EP 59 DI 10.1002/ep.10337 PG 8 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Environmental; Engineering, Chemical; Engineering, Industrial; Environmental Sciences SC Science & Technology - Other Topics; Engineering; Environmental Sciences & Ecology GA 494UF UT WOS:000269843300007 ER PT J AU Shinyashiki, M Eiguren-Fernandez, A Schmitz, DA Di Stefano, E Li, N Linak, WP Cho, SH Froines, JR Cho, AK AF Shinyashiki, Masaru Eiguren-Fernandez, Arantza Schmitz, Debra A. Di Stefano, Emma Li, Ning Linak, William P. Cho, Seung-Hyun Froines, John R. Cho, Arthur K. TI Electrophilic and redox properties of diesel exhaust particles SO ENVIRONMENTAL RESEARCH LA English DT Article DE Diesel exhaust particles; Electrophiles; Redox activity; Humic-like substances; Dithiothreitol; GAPDH ID AIRBORNE PARTICULATE MATTER; GROWTH-FACTOR RECEPTOR; OXIDATIVE STRESS; GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE; ULTRAFINE PARTICLES; CATALYZED OXIDATION; SRM 1649A; QUINONES; CELLS; GENERATION AB The adverse health effects of air pollutants have been associated with their redox and electrophilic properties. Although the specific chemical species involved in these effects are not known, the characterization of their general physical and chemical properties is important to our understanding of the mechanisms by which they cause health problems. This manuscript describes results of a study examining the partition properties of these activities in aqueous and organic media. The water and dichloromethane (DCM) solubility of redox active and electrophilic constituents of seven diesel exhaust particle (DEP) samples were determined with assays developed earlier in this laboratory. The constituents exhibiting redox activity, which included both metals and nonmetal species, were associated with the particles in the aqueous suspensions. Portions of the redox active compounds were also DCM-soluble. In contrast, the electrophilic constituents included both water-soluble and DCM-soluble species. The role of quinones or quinone-like compounds in redox and electrophilic activities of the DCM-soluble constituents was assessed by reductive acetylation, a procedure that inactivates quinones. The results from this experiment indicated that most of the activities in the organic extract were associated with quinone-like substances. The partition properties of the reactive species are important in exposure assessment since the toxicokinetics of particles and solutes are quite distinct. (C) 2008 Elsevier Inc. All rights reserved. C1 [Froines, John R.; Cho, Arthur K.] Univ Calif Los Angeles, Dept Environm Hlth Sci, Sch Publ Hlth, Los Angeles, CA 90095 USA. [Shinyashiki, Masaru; Eiguren-Fernandez, Arantza; Schmitz, Debra A.; Di Stefano, Emma; Froines, John R.] Univ Calif Los Angeles, Sch Publ Hlth, Ctr Occupat & Environm Hlth, Los Angeles, CA 90095 USA. [Li, Ning] David Geffen Sch Med, Dept Med, Div Nanomed, Los Angeles, CA 90095 USA. [Linak, William P.; Cho, Seung-Hyun] US EPA, Natl Risk Management Res Lab, Air Pollut Technol Branch, Res Triangle Pk, NC 27711 USA. [Shinyashiki, Masaru; Eiguren-Fernandez, Arantza; Schmitz, Debra A.; Di Stefano, Emma; Froines, John R.; Cho, Arthur K.] Univ Calif Los Angeles, Sch Publ Hlth, So Calif Particle Ctr, Los Angeles, CA 90095 USA. [Cho, Seung-Hyun] ORISE, Oak Ridge, TN USA. RP Cho, AK (reprint author), Univ Calif Los Angeles, Dept Environm Hlth Sci, Sch Publ Hlth, Box 951772,21-297 CHS, Los Angeles, CA 90095 USA. EM Acho@mednet.ucla.edu FU United States Environmental Protection Agency [CR-82805901]; Asthma and Outdoor Air Quality Consortium of the South Coast Air Quality Management District [040621]; Southern California Environmental Health Science Consortium (SCEHSC) [5P30 ES07048]; NIEHS FX Funding source: The research described in this article has been funded in part by the United States Environmental Protection Agency through Grant no. CR-82805901 to UCLA. While the EPA co-authors collected the DEP samples under an approved quality assurance project plan, the subsequent analyses have not been subjected to the Agency's required peer and policy review. The contents of this article should not be construed to represent Agency policy and no official endorsement should be inferred, The work has also been supported by The Asthma and Outdoor Air Quality Consortium of the South Coast Air Quality Management District (Sponsor award no.: 040621), and by the Southern California Environmental Health Science Consortium (SCEHSC) 5P30 ES07048 (funded by NIEHS). NR 32 TC 54 Z9 54 U1 1 U2 19 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0013-9351 J9 ENVIRON RES JI Environ. Res. PD APR PY 2009 VL 109 IS 3 BP 239 EP 244 DI 10.1016/j.envres.2008.12.008 PG 6 WC Environmental Sciences; Public, Environmental & Occupational Health SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health GA 426JT UT WOS:000264704800006 PM 19200952 ER PT J AU Wan, JM Kim, YM Tokunaga, TK Wang, ZM Dixit, S Steefel, CI Saiz, E Kunz, M Tamura, N AF Wan, Jiamin Kim, Yongman Tokunaga, Tetsu K. Wang, Zheming Dixit, Suvasis Steefel, Carl I. Saiz, Eduardo Kunz, Martin Tamura, Nobumichi TI Spatially Resolved U(VI) Partitioning and Speciation: Implications for Plume Scale Behavior of Contaminant U in the Hanford Vadose Zone SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID TANK WASTE PLUMES; URANIUM SPECIATION; SEDIMENTS; SITE; WASHINGTON; ALKALINE; URANYL AB saline-alkaline brine containing high concentration of 01) was accidentally spilled at the Hanford Site in 1951, introducing 10 tons of U into sediments under storage tank BX-102. U concentrations in the deep vadose zone and groundwater plumes increase with time, yet how the U has been migrating is not fully understood. We simulated the spill event in laboratory soil columns, followed by aging, and obtained spatially resolved U partitioning and speciation along simulated plumes. We found after aging, at apparent steady state, that the pore aqueous phase U concentrations remained surprisingly high (up to 0.022 M), in close agreement with the recently reported high U concentrations (up to 0.027 M) in the vadose zone plume (1). The pH values of aged pore liquids varying from 10 to 7, consistent with the measured pH of the field borehole sediments varying from 9.5 to 7.4 (2), from near the plume source to the plume front. The direct measurements of aged pore liquids together with thermodynamic calculations using a Pitzer approach revealed that UO(2)(CO(3))(3)(4-) isthe dominant aqueous U species within the plume body (pH 8-10), whereas Ca(2)UO(2)(CO(3))(3) and CaUO(2)(CO(3))(3)(2-) are also significantin the plume front vicinity (pH 7-8), consistent with that measured from field borehole pore-waters (3). U solid phase speciation varies at different locations along the plume flow path and even within single sediment grains, because of location dependent pore and micropore solution chemistry. Our results suggest that continuous gravitydriven migration of the highly stable UO(2)(CO(3))(3)(4-) in the residual carbonate and sodium rich tank waste solution is likely responsible for the detected growing U concentrations in the vadose zone and groundwater, C1 [Wan, Jiamin; Kim, Yongman; Tokunaga, Tetsu K.; Dixit, Suvasis; Steefel, Carl I.] Pacific NW Natl Lab, Lawrence Berkeley Natl Lab, Div Earth Sci, Richland, WA 99352 USA. [Saiz, Eduardo] Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA USA. [Kunz, Martin; Tamura, Nobumichi] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA USA. RP Wan, JM (reprint author), Pacific NW Natl Lab, Lawrence Berkeley Natl Lab, Div Earth Sci, Richland, WA 99352 USA. EM jwan@lbl.gov RI Steefel, Carl/B-7758-2010; Wang, Zheming/E-8244-2010; Tokunaga, Tetsu/H-2790-2014; Wan, Jiamin/H-6656-2014; Kim, Yongman/D-1130-2015 OI Wang, Zheming/0000-0002-1986-4357; Tokunaga, Tetsu/0000-0003-0861-6128; Kim, Yongman/0000-0002-8857-1291 NR 23 TC 6 Z9 6 U1 1 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 1 PY 2009 VL 43 IS 7 BP 2247 EP 2253 DI 10.1021/es802801b PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 427DI UT WOS:000264759600020 PM 19452870 ER PT J AU Smith, SC Douglas, M Moore, DA Kukkadapu, RK Arey, BW AF Smith, Steven C. Douglas, Matthew Moore, Dean A. Kukkadapu, Ravi K. Arey, Bruce W. TI Uranium Extraction From Laboratory-Synthesized, Uranium-Doped Hydrous Ferric Oxides SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID IRON-OXIDE; SURFACE PRECIPITATION; SEDIMENTS; SPECIATION; FERRIHYDRITE; SORPTION; COPRECIPITATION; CRYSTALLIZATION; ADSORPTION; GOETHITE AB The extractability of uranium (U) from synthetic uranium-hydrous ferric oxide (HFO) coprecipitates has been shown to decrease as a function of mineral ripening, consistent with the hypothesis that the ripening process will decrease uranium lability. To evaluate this process, three HFO suspensions were coprecipirtated with uranyl (UO(2)(2+)) and maintained at pH 7.0 +/- 0.1. Uranyl was added to the HFO postprecipitation in a fourth suspension. Two suspensions also contained either coprecipitated silicate (Si-U-HFO) or phosphate (P-U-HFO). After precipitation of the HFOs, at time intervals of 1 week, 1 month, 6 months, 1 year, and 2 years, aliquots of each suspension were contacted with five extractant solutions for a range of time. Uranium was preferentially extracted over Fe in varying degrees from all coprecipitates, by all extractants. The preference was dependent on the duration of mineral ripening and adjunct anion. Micro-X-ray diffraction analysis provides evidence for the transformation from amorphous material to phases containing substantial proportions of crystalline goethite and hematite, except the P-U-HFO, which remained primarily amorphous. Analysis of the U-HFO coprecipitate by the Mossbauer technique and scanning electron microscopy provides confirmation of an increase in particle size and evidence of mineral ripening to crystalline phases. C1 [Smith, Steven C.; Douglas, Matthew; Moore, Dean A.; Kukkadapu, Ravi K.; Arey, Bruce W.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Smith, SC (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM steven.smith@pnl.gov OI Douglas, Matthew/0000-0001-9708-1780 FU U.S. Department of Energy (DOE) Office of Nonproliferation Research and Development FX This research was supported by the U.S. Department of Energy (DOE) Office of Nonproliferation Research and Development. Mossbauer and micro-XRD measurements were performed at the W. R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a DOE national scientific user facility. PNNL is operated for DOE by Battelle. NR 32 TC 15 Z9 15 U1 0 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 1 PY 2009 VL 43 IS 7 BP 2341 EP 2347 DI 10.1021/es802621t PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 427DI UT WOS:000264759600034 PM 19452884 ER PT J AU Huo, H Zhang, Q He, KB Wang, QD Yao, ZL Streets, DG AF Huo, Hong Zhang, Qiang He, Kebin Wang, Qidong Yao, Zhiliang Streets, David G. TI High-Resolution Vehicular Emission Inventory Using a Link-Based Method: A Case Study of Light-Duty Vehicles in Beijing SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID DRIVING PATTERNS; CHINESE CITIES; SPEED; ACCELERATION; POLLUTION; MODEL AB We propose a new link-based, bottom-up vehicle emission inventory method for Chinese cities using available on-road emission measurement data and activity survey data. This study uses Beijing as a case study and focuses on CO, HC, and NO(x) emissions from hot-stabilized activities of light-duty vehicles. The target year is 2004, The total quantity of emissions, emission intensity, temporal distribution of emissions by hour, and spatial distribution of emissions at I km x 1 km resolution are presented and compared with results from other inventory methods commonly used in China. The results show that the total emissions from light-duty vehicles in the Beijing urban area in 2004 were 1141 Mg of CO per day, 48 Mg of HC per day, and 32 Mg of NO(x) per day. Pollutant emissions from mobile sources show temporal and spatial variation trends that are consistent with the characteristics of people's activities. The inventory developed in this study reflects the influences of vehicle driving patterns in traffic on vehicle emissions on a road link basis, and it could be used to evaluate the impacts of traffic-related emission control measures in China. C1 [Huo, Hong; Zhang, Qiang; He, Kebin; Wang, Qidong; Yao, Zhiliang] Tsinghua Univ, Dept Environm Sci & Engn, Beijing 100084, Peoples R China. [Streets, David G.] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA. RP He, KB (reprint author), Tsinghua Univ, Dept Environm Sci & Engn, Beijing 100084, Peoples R China. EM hekb@tsinghua.edu.cn RI Zhang, Qiang/D-9034-2012; OI Streets, David/0000-0002-0223-1350 FU China's National 973 Program [2005CB422201]; National 863 Program [2006AA06A305]; National Science Foundation of China [20625722] FX This work was supported by China's National 973 Program (2005CB422201) and National 863 Program (2006AA06A305). K.H. thanks National Science Foundation of China (20625722). We also thank the Energy Foundation for their financial support and Dr. James Lents for coordinating the vehicle activity survey in Beijing. NR 24 TC 33 Z9 37 U1 7 U2 53 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 1 PY 2009 VL 43 IS 7 BP 2394 EP 2399 DI 10.1021/es802757a PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 427DI UT WOS:000264759600042 PM 19452892 ER PT J AU Priester, JH Stoimenov, PK Mielke, RE Webb, SM Ehrhardt, C Zhang, JP Stucky, GD Holden, PA AF Priester, John H. Stoimenov, Peter K. Mielke, Randall E. Webb, Samuel M. Ehrhardt, Christopher Zhang, Jin Ping Stucky, Galen D. Holden, Patricia A. TI Effects of Soluble Cadmium Salts Versus CdSe Quantum Dots on the Growth of Planktonic Pseudomonas aeruginosa SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID ESCHERICHIA-COLI; OXIDATIVE STRESS; ANTIMICROBIAL ACTIVITY; SILVER NANOPARTICLES; UNSATURATED BIOFILMS; CYTOTOXICITY; BACTERIA; MECHANISMS; COMMUNITY; TOXICITY AB With their increased use, engineered nanomaterials (ENMs) will enter the environment where they maybe altered by bacteria and affect bacterial processes. Metallic ENMs, such as CdSe quantum dots (QDs), are toxic due to the release of dissolved heavy metals, but the effects of cadmium ions versus intact QDs are mostly unknown. Here, planktonic Pseudomonas aeruginosa PG201 bacteria were cultured with similar total cadmium concentrations as either fully dissolved cadmium acetate (Cd(CH3COO)(2)) or ligand capped CdSe QDs, and cellular morphology, growth parameters, intracellular reactive oxygen species (ROS), along with the metal and metalloid fates were measured. QDs dissolved partially in growth media, but dissolution was less in biotic cultures compared to sterile controls. Dose-dependent growth effects were similar for low concentrations of either cadmium salts or QDs, but effects differed above a concentration threshold of 50 mg/L(total cadmium basis) where (1) the growth of QD-treated cells was more impaired, (2) the membranes of QD-grown cells were damaged, and (3) CID-grown cells contained QD-sized CdSe cytoplasmic inclusions in addition to Se-0 and dissolved cadmium. For most concentrations, intracellular ROS were higher for QD-versus cadmium salts-grown bacteria. Taken together, QDs were more toxic to this opportunistic pathogen than cadmium ions, and were affected by cells through QD extracellular stabilization, intracellular enrichment, and cell-associated decay. C1 [Priester, John H.; Holden, Patricia A.] Univ Calif Santa Barbara, Donald Bren Sch Environm Sci & Management, Santa Barbara, CA 93106 USA. [Stoimenov, Peter K.; Stucky, Galen D.] Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA. [Mielke, Randall E.] CALTECH, Jet Prop Lab, Ctr Life Detect, Pasadena, CA 91109 USA. [Webb, Samuel M.] Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Holden, PA (reprint author), Univ Calif Santa Barbara, Donald Bren Sch Environm Sci & Management, Santa Barbara, CA 93106 USA. EM holden@bren.ucsb.edu RI Webb, Samuel/D-4778-2009; OI Webb, Samuel/0000-0003-1188-0464; Ehrhardt, Christopher/0000-0002-4909-0532 FU U.S. EPA STAR [R831712, R833323]; University of California Toxic Substances Research and Training Program; Office of Science (BER), U.S. Department of Energy [DE-FG02-05ER63949]; National Science Foundation [DMR05-20415]; Environmental Protection Agency [EF 0830117] FX This research was supported by the U.S. EPA STAR Awards R831712 and R833323, by the University of California Toxic Substances Research and Training Program: Lead Campus program in Nanotoxicology, and by the Office of Science (BER), U.S. Department of Energy, Grant DE-FG02-05ER63949. Publication of this material is Supported by the National Science Foundation and the Environmental Protection Agency under Cooperative Agreement EF 0830117. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation or the Environmental Protection Agency. This work has not been subjected to EPA review and no official endorsement should be infer-red. This work made use of UCSB MRL Central Facilities supported by the MRSEC Program of the National Science Foundation under award DMR05-20415. 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 U.S. Department of Energy, Office of Basic Energy Sciences. NR 51 TC 90 Z9 93 U1 2 U2 55 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 1 PY 2009 VL 43 IS 7 BP 2589 EP 2594 DI 10.1021/es802806n PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 427DI UT WOS:000264759600072 PM 19452921 ER PT J AU Li, MZ Yao, YG Wu, BA Zhang, ZY Wang, EG AF Li, Maozhi Yao, Yugui Wu, Biao Zhang, Zhenyu Wang, Enge TI Strain effect on the instability of island formation in submonolayer heteroepitaxy SO EPL LA English DT Article ID THIN-FILM GROWTH; MORPHOLOGICAL INSTABILITY; 2-DIMENSIONAL ISLANDS; SHAPE TRANSITION; NANOSTRUCTURES; DIFFUSION; STABILITY; SURFACES; STRESS; EDGE AB A theoretical model is developed to study the strain effect on the instability of island formation in submonolayer heteroepitaxy in both thermodynamic and growth kinetic regimes. By using the linear-stability analysis, the elastic energy change of a circular island is derived. Combined with a rate equation theory, the interplay between growth kinetics and strain effect on the shape instability is analyzed and illustrated with the constructed morphological phase diagrams. Critical island sizes beyond which islands grow unstable are also derived and can be used to estimate the energy parameters. Well-defined scaling properties are also obtained for the shape instability. Copyright (C) EPLA, 2009 C1 [Li, Maozhi] Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China. [Yao, Yugui; Wu, Biao; Wang, Enge] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. [Zhang, Zhenyu] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Zhang, Zhenyu] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RP Li, MZ (reprint author), Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China. EM maozhili@ruc.edu.cn; ygyao@aphy.iphy.ac.cn RI Zhang, Jian-Min/A-7757-2012; Wu, Biao/B-3329-2008; Yao, Yugui/A-8411-2012; 石, 源/D-5929-2012; ruc, phy/E-4170-2012 OI Wu, Biao/0000-0001-9229-5894; FU NSF of China [10534030, 10674163, 10704088, 10825417]; Chinese Academy of Sciences; Ministry of Science and Technology of China [2006CB921300, 2007CB925000]; US NSF [DMR-0606485]; Division of Materials Sciences and Engineering; USDOE FX This work was supported by NSF of China (Grants No. 10534030, 10674163, 10704088, 10825417), the Knowledge Innovation Project of the Chinese Academy of Sciences, the Ministry of Science and Technology of China (2006CB921300, 2007CB925000), the US NSF (grant No. DMR-0606485), and the Division of Materials Sciences and Engineering, USDOE. NR 32 TC 2 Z9 2 U1 4 U2 12 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 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PD APR PY 2009 VL 86 IS 1 AR 16001 DI 10.1209/0295-5075/86/16001 PG 6 WC Physics, Multidisciplinary SC Physics GA 450PT UT WOS:000266414000021 ER PT J AU Thomson, RK Graves, CR Scott, BL Kiplinger, JL AF Thomson, Robert K. Graves, Christopher R. Scott, Brian L. Kiplinger, Jaqueline L. TI Noble Reactions for the Actinides: Safe Gold-Based Access to Organouranium and Azido Complexes SO EUROPEAN JOURNAL OF INORGANIC CHEMISTRY LA English DT Article DE Uranium; Oxidation; Gold; Azido complexes ID ELECTRONIC-STRUCTURE; FUNCTIONAL-GROUPS; TERMINAL ALKYNES; BOND FORMATION; URANIUM AZIDE; NITRIDE; CRYSTAL; LIGAND AB A safe gold-based oxidative functionalization protocol has been developed, which allows access to an assortment of uranium complexes bearing azido- and carbon-functional groups. Alkyl, alkynyl, and azido complexes are accessed in a single step from commercially available or easily prepared gold complexes. This methodology works for U(III) -> U(IV) and U(IV) -> U(V) oxidation. A new high yielding synthetic preparation of (Ph(3)P)Au-N(3) is also presented. These reactions proceed rapidly in high yields, and represent a new class of reaction for gold. This work shows that gold chemistry is not just unique for organic transformations and holds great promise for similarly advancing organometallic chemistry. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009) C1 [Thomson, Robert K.; Graves, Christopher R.; Scott, Brian L.; Kiplinger, Jaqueline L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kiplinger, JL (reprint author), Los Alamos Natl Lab, Mail Stop J514, Los Alamos, NM 87545 USA. EM kiplinger@lanl.gov RI Kiplinger, Jaqueline/B-9158-2011; Scott, Brian/D-8995-2017 OI Kiplinger, Jaqueline/0000-0003-0512-7062; Scott, Brian/0000-0003-0468-5396 FU Los Alamos National Laboratory LDRD Program; G. T Seaborg Institute; Division of Chemical Sciences, Office of Basic Energy Sciences FX For financial support of this work, we acknowledge the Los Alamos National Laboratory LDRD Program and G. T Seaborg Institute (Postdoctoral Fellowships to R. K. T and C. R. G.),. Los Alamos National Laboratory (Director's Postdoctoral Fellowship to C. R. G.)., and the Division of Chemical Sciences, Office of Basic Energy Sciences, Heavy Element Chemistry program. The authors thank Dr. Anthony E. Vaughn for executing preliminary reactions. NR 42 TC 32 Z9 32 U1 0 U2 14 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1434-1948 J9 EUR J INORG CHEM JI Eur. J. Inorg. Chem. PD APR PY 2009 IS 11 BP 1451 EP 1455 DI 10.1002/ejic.200900034 PG 5 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 437CQ UT WOS:000265464100002 ER PT J AU Sibirtsev, A Haidenbauer, J Huang, F Krewald, S Meissner, UG AF Sibirtsev, A. Haidenbauer, J. Huang, F. Krewald, S. Meissner, U. -G. TI Backward pion photoproduction SO EUROPEAN PHYSICAL JOURNAL A LA English DT Article ID NUCLEON ELASTIC-SCATTERING; PHOTOMESON PRODUCTION; POSITIVE PIONS; REGGE POLES; ANGLES; PHENOMENOLOGY; AMPLITUDES; PARTICLES; DIRECTION; HYDROGEN AB We present a systematic analysis of backward pion photoproduction for the reactions gamma p -> pi(0)p and gamma p -> pi(+)n. Regge phenomenology is applied at invariant collision energies above 3 GeV in order to fix the reaction amplitude. A comparision with older data on pi(0)- and pi(+)-photoproduction at theta = 180 degrees indicates that the high-energy limit as given by the Regge calculation could be reached possibly at energies of around root s similar or equal to 3 GeV. In the energy region of root s <= 2.5 GeV, covered by the new measurements of gamma p -> pi(0)p differential cross-sections at large angles at ELSA, JLab, and LEPS, we see no clear signal for a convergence towards the Regge results. The baryon trajectories obtained in our analysis are in good agreement with those given by the spectrum of excited baryons. C1 [Sibirtsev, A.; Meissner, U. -G.] Univ Bonn, Helmholtz Inst Strahlen & Kernphys, D-53115 Bonn, Germany. [Sibirtsev, A.; Meissner, U. -G.] Univ Bonn, Bethe Ctr Theoret Phys, D-53115 Bonn, Germany. [Sibirtsev, A.] Thomas Jefferson Natl Accelerator Facil, EBAC, Newport News, VA 23606 USA. [Haidenbauer, J.; Huang, F.; Krewald, S.; Meissner, U. -G.] Forschungszentrum Julich, Inst Kernphys, D-52425 Julich, Germany. [Haidenbauer, J.; Huang, F.; Krewald, S.; Meissner, U. -G.] Forschungszentrum Julich, Julich Ctr Hadron Phys, D-52425 Julich, Germany. [Haidenbauer, J.; Krewald, S.; Meissner, U. -G.] Forschungszentrum Julich, Inst Adv Simulat, D-52425 Julich, Germany. RP Sibirtsev, A (reprint author), Univ Bonn, Helmholtz Inst Strahlen & Kernphys, D-53115 Bonn, Germany. EM s.krewald@fz-juelich.de RI Huang, Fei/C-4081-2013; OI Huang, Fei/0000-0002-6258-7455; Krewald, Siegfried/0000-0002-8596-8429 FU Helmholtz Association [VH-VI-231]; European Community [227431]; DFG; Alexander von Humboldt Foundation; JLab [SURA-06-C0452]; COSY FFE [41760632] FX We would like to thank T. Nakano and M. Sumihama for sending us the LEPS data. We appreciate discussions with H. Gao, M. Dugger, E. Klempt, E. Pasyuk, U. Thoma. This work is partially supported by the Helmholtz Association through funds provided to the virtual institute "Spin and strong QCD" (VH-VI-231), by the European Community-Research Infrastructure Integrating Activity "Study of Strongly Interacting Matter" (acronym HadronPhysics2, Grant Agreement no. 227431) under the Seventh Framework Programme of EU, and by DFG (SFB/TR 16, "Subnuclear Structure of Matter"). F. H. is grateful for the support from the Alexander von Humboldt Foundation. A. S. acknowledges support by the JLab grant SURA-06-C0452 and the COSY FFE grant No. 41760632 (COSY-085). NR 43 TC 12 Z9 12 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6001 J9 EUR PHYS J A JI Eur. Phys. J. A PD APR PY 2009 VL 40 IS 1 BP 65 EP 75 DI 10.1140/epja/i2008-10743-x PG 11 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 443XA UT WOS:000265942900007 ER PT J AU Tsetseris, L Pantelides, ST AF Tsetseris, L. Pantelides, S. T. TI First-principles studies on organic electronic materials SO EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 1st International Symposium on Flexible Organic Electronics CY JUL 09-11, 2008 CL Halkidiki, GREECE ID MOLECULAR-STRUCTURE; CHARGE-TRANSPORT; PHTHALOCYANINES; TRANSISTORS; CRYSTALS; ENERGY; PENTACENE AB The elucidation of physical properties of organic materials is important for further optimization of related electronic and optoelectronic devices. Here we review briefly various first-principles computational tools for the modeling of these materials by investigating key structural, electronic, and chemical properties of prototype organic semiconductors. In particular, we discuss the site-selectivity for band formation in pentacene and rubrene, hydrogenation and transformations of metal-free phthalocyanines, and the bonding topology in a hybrid organic-inorganic system. C1 [Tsetseris, L.] Aristotle Univ Thessaloniki, Dept Phys, Thessaloniki 54124, Greece. [Tsetseris, L.; Pantelides, S. T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Pantelides, S. T.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Tsetseris, L (reprint author), Aristotle Univ Thessaloniki, Dept Phys, Thessaloniki 54124, Greece. EM tsetser@auth.gr NR 40 TC 6 Z9 6 U1 1 U2 9 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 1286-0042 J9 EUR PHYS J-APPL PHYS JI Eur. Phys. J.-Appl. Phys PD APR PY 2009 VL 46 IS 1 AR 12511 DI 10.1051/epjap/2009031 PG 4 WC Physics, Applied SC Physics GA 425TR UT WOS:000264660500011 ER PT J AU Chen, D Hu, W Yang, J Deng, H Sun, L Gao, F AF Chen, D. Hu, W. Yang, J. Deng, H. Sun, L. Gao, F. TI Diffusion of tungsten clusters on tungsten (110) surface SO EUROPEAN PHYSICAL JOURNAL B LA English DT Article ID EMBEDDED-ATOM-METHOD; POINT-DEFECT PROPERTIES; SMALL CU CLUSTERS; MOLECULAR-DYNAMICS; METAL-SURFACES; PD CLUSTERS; MECHANISMS; POTENTIALS; ENERGETICS; MOBILITY AB Using molecular dynamics simulation and modified analytic embedded-atom method, we have investigated the self-diffusion of clusters on a tungsten (110) surface. As compared to the linear-chain configuration, the close-packed islands for tungsten clusters containing more than nine adatoms have been predicted to be more stable with the relatively lower binding energies. The migration energies show an interesting and oscillating behavior with increasing cluster size. The tetramer, hexamer and octamer have obviously higher migration energies than the others. The different atomic configurations and diffusion mechanisms have been determined during the diffusion processes. It is clear that the dimer-shearing mechanism occurs inside the hexamer, while it occurs at the periphery of heptamer. The successive hopping mechanism of individual atom is of critical importance in the migration of the clusters containing five or fewer adatoms. In addition, the diffusion of a cluster with nine adatoms is achieved through the changes of the cluster shape. C1 [Chen, D.; Hu, W.; Deng, H.] Hunan Univ, Dept Appl Phys, Changsha 410082, Peoples R China. [Yang, J.] Hunan Inst Engn, Dept Math & Phys, Xiangtan 411104, Peoples R China. [Sun, L.] Chinese Acad Sci, Dalian Inst Chem Phys, Mat & Thermochem Lab, Dalian 116023, Peoples R China. [Gao, F.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Chen, D (reprint author), Hunan Univ, Dept Appl Phys, Changsha 410082, Peoples R China. EM wangyuhu2001cn@yahoo.com.cn RI Hu, Wangyu/B-5762-2009; Yang, Jianyu/G-6455-2012; Gao, Fei/H-3045-2012; Deng, Huiqiu/A-9530-2009 OI Hu, Wangyu/0000-0001-7416-3994; Deng, Huiqiu/0000-0001-8986-104X FU Chinese Academy of Sciences; National Natural Science Foundation [50671035] FX This work is supported by Chinese Academy of Sciences and the National Natural Science Foundation under contract No. 50671035. NR 30 TC 5 Z9 5 U1 0 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6028 J9 EUR PHYS J B JI Eur. Phys. J. B PD APR PY 2009 VL 68 IS 4 BP 479 EP 485 DI 10.1140/epjb/e2009-00100-1 PG 7 WC Physics, Condensed Matter SC Physics GA 446TT UT WOS:000266144800001 ER PT J AU Abdullin, S Abramov, V Acharya, B Adam, N Adams, M Adzic, P Akchurin, N Akgun, U Albayrak, E Alemany-Fernandez, R Almeida, N Anagnostou, G Andelin, D Anderson, E Anfreville, M Anicin, I Antchev, G Antunovic, Z Arcidiacono, R Arenton, M Auffray, E Argiro, S Askew, A Atramentov, O Ayan, S Arcidy, M Aydin, S Aziz, T Baarmand, M Babich, K Baccaro, S Baden, D Baffioni, S Bakirci, MN Balazs, M Banerjee, S Banerjee, S Bard, R Barge, D Barnes, V Barney, D Barone, L Bartoloni, A Baty, C Bawa, H Baiatian, G Bandurin, D Beauceron, S Bell, KW Bencze, G Benetta, R Bercher, M Beri, S Bernet, C Berntzon, L Berthon, U Besancon, M Betev, B Beuselinck, R Bhatnagar, V Bhatti, A Biino, C Blaha, J Bloch, P Blyth, S Bodek, A Bornheim, A Bose, S Bose, T Bourotte, J Brett, AM Brown, RM Britton, D Budd, H Buehler, M Burchesky, K Busson, P Camanzi, B Camporesi, T Cankocak, K Carrell, K Carrera, E Cartiglia, N Cavallari, F Cerci, S Cerutti, M Chang, P Chang, YH Charlot, C Chen, E Chen, W Chen, Z Chendvankar, S Chipaux, R Choudhary, BC Choudhury, RK Chung, Y Clarida, W Cockerill, DJA Combaret, C Conetti, S Cossutti, F Cox, B Cremaldi, L Cushman, P Cussans, D Dafinei, I Damgov, J Di Calafiori, DRD Daskalakis, G Davatz, G David, A de Barbaro, P Debbins, P Deiters, K Dejardin, M Djordjevic, M Deliomeroglu, M Della Negra, R Della Ricca, G Del Re, D Demianov, A De Min, A Denegri, D Depasse, P de Visser, T Descamps, J Deshpande, P Diaz, J Diemoz, M Marco, E Dimitrov, L Dissertori, G Dittmar, M Djambazov, L Dobrzynski, L Drndarevic, S Duboscq, JE Dugad, S Dumanoglu, I Duru, F Dutta, D Dzelalija, M Efthymiopoulos, I Elias, J Elliott-Peisert, A El Mamouni, H Elvira, D Emeliantchik, I Eno, S Ershov, A Erturk, S Esen, S Eskut, E Evangelou, I Evans, DL Fabbro, B Faure, JL Fay, J Fenyvesi, A Ferri, F Fisher, W Flower, PS Franci, D Franzoni, G 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Kennedy, B Khmelnikov, A Kim, H Kisselevich, I Kloukinas, K Kodolova, O Kohli, J Kokkas, P Kolberg, T Kolossov, V Korablev, A Korneev, Y Kosarev, I Kramer, L Krasnikov, N Krinitsyn, A Krokhotin, A Krpic, D Kryshkin, V Kubota, Y Kubrik, A Kuleshov, S Kumar, A Kumar, P Kunori, S Kuo, CM Kurt, P Kyberd, P Kyriakis, A Laasanen, A Ladygin, V Laird, E Landsberg, G Laszlo, A Lawlor, C Lazic, D Lebeau, M Lecomte, P Lecoq, P Ledovskoy, A Lee, SW Leshev, G Lethuillier, M Levchuk, L Lin, SW Lin, W Linn, S Lintern, AL Litvine, V Litvintsev, D Litov, L Lobolo, L Locci, E Lodge, AB Longo, E Loukas, D Los, S Lubinsky, V Luckey, PD Lukanin, V Lustermann, W Lynch, C Ma, Y Machado, E Mahlke-Krueger, H Maity, M Majumder, G Malberti, M Malcles, J Maletic, D Mandjavidze, I Mans, J Manthos, N Maravin, Y Marchica, C Marinelli, N Markou, A Markou, C Marlow, D Markowitz, P Marone, M Martinez, G Mathez, H Matveev, V Mavrommatis, C Maurelli, G Mazumdar, K Meridiani, P Merlo, JP Mermerkaya, H Mescheryakov, G 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Zarubin, A. Zelepoukine, S. Zeyrek, M. Zhang, J. Zhang, L. Y. Zhu, K. TI The CMS barrel calorimeter response to particle beams from 2 to 350 GeV/c SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID HADRON CALORIMETER; CALIBRATION; PERFORMANCE; PHYSICS; DESIGN; WEDGES; PION AB The response of the CMS barrel calorimeter (electromagnetic plus hadronic) to hadrons, electrons and muons over a wide momentum range from 2 to 350 GeV/c has been measured. To our knowledge, this is the widest range of momenta in which any calorimeter system has been studied. These tests, carried out at the H2 beam-line at CERN, provide a wealth of information, especially at low energies. The analysis of the differences in calorimeter response to charged pions, kaons, protons and antiprotons and a detailed discussion of the underlying phenomena are presented. We also show techniques that apply corrections to the signals from the considerably different electromagnetic (EB) and hadronic (HB) barrel calorimeters in reconstructing the energies of hadrons. Above 5 GeV/c, these corrections improve the energy resolution of the combined system where the stochastic term equals 84.7 +/- 1.6% and the constant term is 7.4 +/- 0.8%. The corrected mean response remains constant within 1.3% rms. C1 [Baiatian, G.; Sirunyan, A.] Yerevan Phys Inst, Yerevan, Armenia. [Emeliantchik, I.; Mossolov, V.; Shumeiko, N.; Stefanovich, R.] NCPHEP, Minsk, Byelarus. [Dimitrov, L.; Genchev, V.; Panev, B.; Vankov, I.] Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, Sofia, Bulgaria. [Beuselinck, R.; Britton, D.; Cussans, D. G.; Evans, D. L.; Grant, N.; Heath, H. F.; Litov, L.; Lynch, C.; Nash, J.; Ryan, M. J.; Seez, C.; Smith, V. J.; Takahashi, M.; Timlin, C.; Wardrope, D.] Univ Sofia, BU-1126 Sofia, Bulgaria. [Godinovic, N.; Puljak, I.] Tech Univ Split, Split, Croatia. [Antunovic, Z.; Dzelalija, M.] Univ Split, Split, Croatia. [Papadakis, A.; Ptochos, F.; Razis, P. A.] Univ Cyprus, Nicosia, Cyprus. [Guillaud, J. P.; Nedelec, P.; Sillou, D.] IN2P3 CNRS, Lab Annecy Le Vieux Phys Particules, Annecy Le Vieux, France. [Anfreville, M.; Besancon, M.; Chipaux, R.; Dejardin, M.; Denegri, D.; Descamps, J.; Fabbro, B.; Faure, J. L.; Ferri, F.; Ganjour, S.; Gentit, F. X.; Givernaud, A.; Gras, P.; de Monchenault, G. Hamel; Jarry, P.; Locci, E.; Malcles, J.; Mandjavidze, I.; Mur, M.; Rande, J.; Reymond, J. M.; Rondeaux, F.; Rosowsky, A.; Titov, M.; Verrecchia, P.] CEA Saclay, DSM DAPNIA, F-91191 Gif Sur Yvette, France. [Baffioni, S.; Bercher, M.; Bernet, C.; Berthon, U.; Bourotte, J.; Busson, P.; Cerutti, M.; Charlot, C.; Dobrzynski, L.; Geerebaert, Y.; Gilly, J.; Riveros, L. Guevara; Haguenauer, M.; Milleret, G.; Mine, P.; Paganini, P.; Romanteau, T.; Sirois, Y.; Thiebaux, C.; Zabi, A.] Ecole Polytech, CNRS, IN2P3, Lab Leprince Ringuet, F-91128 Palaiseau, France. [Baty, C.; Blaha, J.; Combaret, C.; Della Negra, R.; Depasse, P.; El Mamouni, H.; Fay, J.; Gascon, S.; Ille, B.; Lethuillier, M.; Mathez, H.; Maurelli, G.] Univ Lyon 1, CNRS, IN2P3, Inst Phys Nucl Lyon, Villeurbanne, France. [Anagnostou, G.; Daskalakis, G.; Kyriakis, A.; Loukas, D.; Markou, A.; Markou, C.; Mavrommatis, C.; Papadakis, I.; Petrakou, E.; Theofilatos, K.] Inst Nucl Phys Demokritos, Aghia Paraskevi, Greece. [Evangelou, I.; Kokkas, P.; Manthos, N.; Papadopoulos, I.; Triantis, F. A.] Univ Ioannina, GR-45110 Ioannina, Greece. [Bencze, G.; Laszlo, A.; Pal, A.; Vesztergombi, G.; Zalan, P.] KFKI RMKI, Res Inst Particle & Nucl Phys, Budapest, Hungary. [Fenyvesi, A.] ATOMKI, Debrecen, Hungary. [Bawa, H.; Beri, S.; Bhatnagar, V.; Kaur, M.; Kohli, J.; Kumar, A.; Singh, J. B.] Panjab Univ, Chandigarh 160014, India. [Choudhary, B. C.; Shivpuri, R. K.] Univ Delhi, Delhi 110007, India. [Choudhury, R. K.; Dutta, D.; Ghodgaonkar, M. D.; Kailas, S.; Kataria, S. K.; Kumar, P.; Mohanty, A. K.; Pant, L.; Shukla, P.; Topkar, A.] Bhabha Atom Res Ctr, Mumbai 400085, Maharashtra, India. [Acharya, B.; Aziz, T.; Banerjee, Sud.; Banerjee, Sun.; Bose, S.; Chendvankar, S.; Deshpande, P. V.; Dugad, S.; Gurtu, A.; Kalmani, S.; Maity, M.; Majumder, G.; Mazumdar, K.; Mondal, N.; Nagaraj, P.; Patil, M.; Reddy, L.; Satyanarayana, B.; Sharma, S.; Sudhakar, K.; Tonwar, S.; Verma, P.] Tata Inst Fundamental Res, Mumbai 400005, Maharashtra, India. [Hashemi, M.; Mohammadi-Najafabadi, M.; Paktinat, S.] Sharif Univ Technol, Tehran, Iran. [De Min, A.; Govoni, P.; Malberti, M.; Negri, P.; Paganoni, M.; Pullia, A.; Ragazzi, S.; Redaelli, N.; Sala, L.; Salerno, R.; Tabarelli de Fatis, T.] Univ Milan Biococca, Milan, Italy. [Baccaro, S.; Barone, L.; Bartoloni, A.; Cavallari, F.; Dafinei, I.; Del Re, D.; Diemoz, M.; Di Marco, E.; Franci, D.; Gargiulo, C.; Longo, E.; Organtini, G.; Palma, A.; Paramatti, R.; Rahatlou, S.; Rovelli, C.] Univ Roma 1, Rome, Italy. [Arcidiacono, R.; Argiro, S.; Biino, C.; Cartiglia, N.; Marone, M.; Obertino, M. M.; Pastrone, N.] Univ Turin, Turin, Italy. [Cossutti, F.; Della Ricca, G.; Gobbo, B.; Penzo, A.] Univ Trieste, Trieste, Italy. [Alemany-Fernandez, R.; Almeida, N.; David, A.; Husejko, M.; Musella, P.; Parracho, P.; Ribeiro, P.; Silva, J.; Silva, P.] Lab Instrumentacao & Fis Expt Particulas, Lisbon, Portugal. [Babich, K.; Golutvin, I.; Kalagin, V.; Kosarev, I.; Ladygin, V.; Mescheryakov, G.; Moissenz, P.; Petrosyan, A.; Rogalev, E.; Smirnov, V.; Tcheremoukhine, A.; Vishnevskiy, A.; Volodko, A.; Zamiatin, N.; Zarubin, A.] JINR, Dubna, Russia. [Gninenko, S.; Golubev, N.; Krasnikov, N.; Matveev, V.] Russian Acad Sci, Inst Nucl Res, Moscow, Russia. [Rusakov, S. V.] PN Lebedev Phys Inst, Moscow 117924, Russia. [Demianov, A.; Ershov, A.; Gribushin, A.; Kodolova, O.; Mikhailin, V.; Petrushanko, S.; Sarycheva, L.; Teplov, K.; Vardanyan, I.; Vasil'ev, A.] Moscow MV Lomonosov State Univ, Moscow, Russia. [Abramov, V.; Goncharov, P.; Kachanov, V.; Kalinin, A.; Khmelnikov, A.; Korablev, A.; Korneev, Y.; Krinitsyn, A.; Kryshkin, V.; Lukanin, V.; Pikalov, V.; Ryazanov, A.; Talov, V.; Troshin, S.; Turchanovich, L.; Tyurin, N.; Uzunian, A.; Volkov, A.; Zelepoukine, S.] IHEP, Protvino, Russia. [Drndarevic, S.; Krpic, D.] Univ Belgrade, Belgrade, Serbia. [Adzic, P.; Anicin, I.; Djordjevic, M.; Jovanovic, D.; Maletic, D.; Milenovic, P.; Puzovic, J.] Vinca Inst Nucl Sci, Belgrade, Serbia. [Auffray, E.; Barney, D.; Beauceron, S.; Benetta, R.; Bloch, P.; Camporesi, T.; de Visser, T.; Efthymiopoulos, I.; Elliott-Peisert, A.; Funk, W.; Ghezzi, A.; Hansen, M.; Honma, A.; Kloukinas, K.; Lebeau, M.; Lecoq, P.; Meridiani, P.; Sharp, P.; Teller, O.; Varela, J.; Vichoudis, P.; Virdee, T.; Vlassov, E.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Deiters, K.; Ingram, Q.; Marchica, C.; Renker, D.] Paul Scherrer Inst, Villigen, Switzerland. [Betev, B.; Brett, A. M.; Chen, Z.; Di Calafiori, D. R. Da Silva; Davatz, G.; Dissertori, G.; Dittmar, M.; Djambazov, L.; Freudenreich, K.; Hintz, W.; Lecomte, P.; Leshev, G.; Luckey, P. D.; Lustermann, W.; Moortgat, F.; Nardulli, A.; Nessi-Tedaldi, F.; Pauss, F.; Punz, T.; Roeser, U.; Schinzel, D.; Stoeckli, F.; Suter, H.; Von Gunten, H. P.; Weber, M.; Weng, J.] Swiss Fed Inst Technol, Inst Particle Phys, Zurich, Switzerland. [Blyth, S.; Chang, Y. H.; Chen, E. A.; Chen, W. T.; Go, A.; Kuo, C. M.; Lin, W.] Natl Cent Univ, Chungli 32054, Taiwan. [Chang, P.; Hou, G. W. S.; Hsiung, Y.; Lin, S. W.; Shiu, J. G.; Ueno, K.; Wang, M.] Natl Taiwan Univ, Taipei 10764, Taiwan. [Aydin, S.; Bakirci, M. N.; Cerci, S.; Dumanoglu, I.; Erturk, S.; Eskut, E.; Kayis-Topaksu, A.; Kurt, P.; Onengut, G.; Ozkurt, H.; Polatoz, A.; Sogut, K.; Topakli, H.; Vergili, M.] Cukurova Univ, Adana, Turkey. [Gamsizkan, H.; Gueler, A. Murat; Ozkan, C.; Sekmen, S.; Serin, M.; Sever, R.; Zeyrek, M.] Middle E Tech Univ, TR-06531 Ankara, Turkey. [Deliomeroglu, M.; Gulmez, E.; Isiksal, E.; Kaya, M.; Kaya, O.; Ozkorucuklu, S.; Sonmez, N.] Bogazici Univ, Istanbul, Turkey. [Levchuk, L.; Sorokin, P.] KIPT, Kharkov, Ukraine. [Grinev, B.; Lubinsky, V.; Senchishin, V.] Single Crystal Inst, Kharkov, Ukraine. [Bell, K. W.; Brown, R. M.; Camanzi, B.; Cockerill, D. J. A.; Flower, P. S.; Greenhalgh, R. J. S.; Hill, J. A.; Kennedy, B. W.; Lintern, A. L.; Lodge, A. B.; Shepherd-Themistocleous, C. H.; Smith, B. J.; Sproston, M.; Williams, J. H.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Hobson, P. R.; Kyberd, P.; Siamitros, C.; Yaselli, I.] Brunel Univ, Uxbridge UB8 3PH, Middx, England. [Anderson, E. W.; Hauptman, J.] Iowa State Univ, Ames, IA USA. [Damgov, J.; Elias, J.; Elvira, D.; Freeman, J.; Green, D.; Los, S.; Piperov, S.; Ronzhin, A.; Sergeyev, S.; Suzuki, I.; Vidal, R.; Whitmore, J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Antchev, G.; Arcidy, M.; Hazen, E.; Heister, A.; Lawlor, C.; Lazic, D.; Machado, E.; Posch, C.; Rohlf, J.; Sulak, L.; Varela, F.; Wu, S. X.] Boston Univ, Boston, MA 02215 USA. [Musienko, Y.; Reucroft, S.; Swain, J.] Northeastern Univ, Boston, MA 02115 USA. [Andelin, D.; Arenton, M. W.; Balazs, M.; Buehler, M.; Conetti, S.; Cox, B.; Hirosky, R.; Imlay, R.; Ledovskoy, A.; Phillips, D. G., II; Ronquest, M.; Tobias, A.; Yohay, R.] Univ Virginia, Charlottesville, VA USA. [Adams, M.; Bard, R.; Burchesky, K.; Qian, W.] Univ Illinois, Chicago, IL USA. [Baden, D.; Eno, S.; Grassi, T.; Jarvis, C.; Kellogg, R.; Kunori, S.; Rumerio, P.; Santanastasio, F.; Skuja, A.; Wang, L.; Wetstein, M.] Univ Maryland, College Pk, MD 20742 USA. [Barge, D.; Kubrik, A.; Velasco, M.; Won, S.] Northwestern Univ, Evanston, IL USA. [Podrasky, V.; Sanzeni, C.; Winn, D.] Fairfield Univ, Fairfield, CT 06430 USA. [Akgun, U.; Albayrak, E.; Ayan, S.; Clarida, W.; Debbins, P.; Duru, F.; Ingram, D.; Merlo, J. P.; Mestvirishvili, A.; Miller, M.; Moeller, A.; Norbeck, E.; Olson, J.; Onel, Y.; Ozok, F.; Schmidt, I.; Yetkin, T.] Univ Iowa, Iowa City, IA USA. [Duboscq, J. E.; Heltsley, B.; Mahlke-Krueger, H.; Patterson, J. R.] Cornell Univ, Ithaca, NY USA. [Akchurin, N.; Berntzon, L.; Carrell, K.; Jeong, C.; Kim, H.; Lee, S. -W.; Popescu, S.; Roh, Y.; Spezziga, M.; Thomas, R.; Volobouev, I.; Wigmans, R.; Yazgan, E.] Texas Tech Univ, Lubbock, TX 79409 USA. [Bandurin, D.; Kaadze, K.; Maravin, Y.] Kansas State Univ, Manhattan, KS 66506 USA. [Baarmand, M.; Mermerkaya, H.; Ralich, R. M.; Vodopiyanov, I.] Florida Inst Technol, Melbourne, FL 32901 USA. [Diaz, J.; Gaultney, V.; Kramer, L.; Linn, S.; Lobolo, L.; Markowitz, P.; Martinez, G.] Florida Int Univ, Miami, FL 33199 USA. [Cushman, P.; Franzoni, G.; Gong, D.; Heering, A.; Kubota, Y.; Rusack, R.; Singovsky, A.; Sherwood, B.; Zhang, J.] Univ Minnesota, Minneapolis, MN USA. [Bhatti, A.] Rockefeller Univ, New York, NY 10021 USA. [Jessop, C.; Karmgard, D.; Kolberg, T.; Marinelli, N.; Ruchti, R.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Cremaldi, L.; Reidy, J.; Sanders, D. A.] Univ Mississippi, Oxford, MS USA. [Bornheim, A.; Gataullin, M.; Litvine, V.; Ma, Y.; Newman, H. B.; Orimoto, T.; Rogan, C.; Timciuc, V.; Veverka, J.; Yang, Y.; Zhang, L. Y.; Zhu, K.] CALTECH, Pasadena, CA 91125 USA. [Adam, N.; Fisher, W.; Gerbaudo, D.; Halyo, V.; Hunt, A.; Jones, J.; Laird, E.; Mans, J.; Marlow, D.; Piroue, P.; Tully, C.; Werner, J.] Princeton Univ, Princeton, NJ 08544 USA. [Bose, T.; Esen, S.; Landsberg, G.; Vanini, A.] Brown Univ, Providence, RI 02912 USA. [Bodek, A.; Budd, H.; Chung, Y.; de Barbaro, P.; Haelen, T.] Univ Rochester, Rochester, NY USA. [Askew, A.; Atramentov, O.; Carrera, E.; Gershtein, Y.; Gleyzer, S.; Hagopian, S.; Hagopian, V.; Johnson, K.] Florida State Univ, Tallahassee, FL 32306 USA. [Barnes, V.; Laasanen, A.; Pompos, A.] Purdue Univ, W Lafayette, IN 47907 USA. [Hashemi, M.; Mohammadi-Najafabadi, M.; Paktinat, S.] Inst Studies Theoret Phys, Tehran, Iran. [De Min, A.; Govoni, P.; Malberti, M.; Negri, P.; Paganoni, M.; Pullia, A.; Ragazzi, S.; Redaelli, N.; Sala, L.; Salerno, R.; Tabarelli de Fatis, T.] Ist Nazl Fis Nucl, I-20133 Milan, Italy. [Baccaro, S.; Barone, L.; Bartoloni, A.; Cavallari, F.; Dafinei, I.; Del Re, D.; Diemoz, M.; Di Marco, E.; Franci, D.; Longo, E.; Organtini, G.; Palma, A.; Paramatti, R.; Rahatlou, S.; Rovelli, C.] Sezione Ist Nazl Fis Nucl, Rome, Italy. [Arcidiacono, R.; Argiro, S.; Biino, C.; Cartiglia, N.; Marone, M.; Obertino, M. M.; Pastrone, N.] Sezione Ist Nazl Fis Nucl, Turin, Italy. [Cossutti, F.; Della Ricca, G.; Gobbo, B.; Penzo, A.] Sezione Ist Nazl Fis Nucl, Trieste, Italy. [Smith, V. J.] Univ Bristol, Bristol, Avon, England. [Nash, J.; Ryan, M. J.; Seez, C.; Sharp, P.; Timlin, C.; Virdee, T.; Wardrope, D.] Univ London, Univ London Imperial Coll Sci Technol & Med, London, England. [Abdullin, S.; Ilyina, N.; Kisselevich, I.; Krokhotin, A.; Kuleshov, S.; Litvintsev, D.; Nikitenko, A.; Semenov, S.; Ulyanov, A.; Vlassov, E.] ITEP, Moscow, Russia. RP Abdullin, S (reprint author), ITEP, Moscow, Russia. EM nural.akchurin@ttu.edu RI Demianov, Andrei/E-4565-2012; Chipaux, Remi/G-1145-2010; Petrushanko, Sergey/D-6880-2012; Vardanyan, Irina/K-7981-2012; Kumar, Prem/B-6691-2009; Chen, Wei/B-7574-2009; Ragazzi, Stefano/D-2463-2009; Shivpuri, R K/A-5848-2010; Tinoco Mendes, Andre David/D-4314-2011; Ganjour, Serguei/D-8853-2011; Britton, David/F-2602-2010; Kodolova, Olga/D-7158-2012; Yang, Yong/D-9724-2017; Bheesette, Satyanarayana/A-1360-2013; Della Ricca, Giuseppe/B-6826-2013; Kuleshov, Sergey/D-9940-2013; Fisher, Wade/N-4491-2013; Marlow, Daniel/C-9132-2014; Gribushin, Andrei/J-4225-2012; Vasil'ev, Andrey/E-4350-2012; Gulmez, Erhan/P-9518-2015; Paganoni, Marco/A-4235-2016; Govoni, Pietro/K-9619-2016; Yazgan, Efe/C-4521-2014; Gerbaudo, Davide/J-4536-2012; Varela, Joao/K-4829-2016; OI Ragazzi, Stefano/0000-0001-8219-2074; Tinoco Mendes, Andre David/0000-0001-5854-7699; Britton, David/0000-0001-9998-4342; Vieira de Castro Ferreira da Silva, Pedro Manuel/0000-0002-5725-041X; Baarmand, Marc/0000-0002-9792-8619; Ghezzi, Alessio/0000-0002-8184-7953; Diemoz, Marcella/0000-0002-3810-8530; Longo, Egidio/0000-0001-6238-6787; Carrera, Edgar/0000-0002-0857-8507; DE MIN, ALBERTO/0000-0002-8130-9389; Della Ricca, Giuseppe/0000-0003-2831-6982; Kuleshov, Sergey/0000-0002-3065-326X; Vasil'ev, Andrey/0000-0002-7493-7619; Gulmez, Erhan/0000-0002-6353-518X; Paganoni, Marco/0000-0003-2461-275X; Govoni, Pietro/0000-0002-0227-1301; Yazgan, Efe/0000-0001-5732-7950; Gerbaudo, Davide/0000-0002-4463-0878; Uliyanov, Alexey/0000-0001-6935-8949; Varela, Joao/0000-0003-2613-3146; Tabarelli de Fatis, Tommaso/0000-0001-6262-4685; Sogut, Kenan/0000-0002-9682-2855 FU CERN; Department of Atomic Energy; Department of Science and Technology of India, U. S; U. S. National Science Foundation, RMKI-KFKI [T 016823]; Ministry of Science, Education and Sport [023-0982887-3064]; French CNRS/Institut de Physique Nucleaire et de Physique des Particules; French Commissariat a l'Energie Atomique; Greek General Secretariat for Research and Technology; Italian Istituto Nazionale di Fisica Nucleare; Federal Agency for Science and Innovations of the Ministry for Education and Science of the Russian Federation; Federal Agency for Atomic Energy of the Russian Federation; Russian Academy of Sciences; Ministry of Science of Serbia; Swiss Funding Agencies; Scientific and Technical Research Council of Turkey ( TUBITAK),; Turkish Atomic Energy Agency ( TAEK); Bogazici University Research Fund [04B301]; Science and Technology Facilities Council FX The results presented in this paper are partially based on the doctoral theses of Jordan Damgov[17], Kazim Gumus [ 18] and Efe Yazgan [ 19]. This project was carried out with financial support from CERN, Department of Atomic Energy and Department of Science and Technology of India, U. S. Department of Energy, U. S. National Science Foundation, RMKI-KFKI ( Hungary, OTKA grant T 016823), Croatian Ministry of Science, Education and Sport ( under grant No. 023-0982887-3064), French CNRS/Institut de Physique Nucleaire et de Physique des Particules, French Commissariat a l'Energie Atomique, Greek General Secretariat for Research and Technology, Italian Istituto Nazionale di Fisica Nucleare, Federal Agency for Science and Innovations of the Ministry for Education and Science of the Russian Federation, Federal Agency for Atomic Energy of the Russian Federation, Russian Academy of Sciences, Ministry of Science of Serbia, Swiss Funding Agencies, Scientific and Technical Research Council of Turkey ( TUBITAK), Turkish Atomic Energy Agency ( TAEK), Bogazici University Research Fund ( Grant no: 04B301), Science and Technology Facilities Council ( UK). NR 19 TC 22 Z9 23 U1 4 U2 24 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6044 EI 1434-6052 J9 EUR PHYS J C JI Eur. Phys. J. C PD APR PY 2009 VL 60 IS 3 BP 359 EP 373 DI 10.1140/epjc/s10052-009-0959-5 PG 15 WC Physics, Particles & Fields SC Physics GA 423JX UT WOS:000264493700002 ER PT J AU Ziebert, F Vershinin, M Gross, SP Aranson, IS AF Ziebert, F. Vershinin, M. Gross, S. P. Aranson, I. S. TI Collective alignment of polar filaments by molecular motors SO EUROPEAN PHYSICAL JOURNAL E LA English DT Article ID ACTIN-FILAMENTS; CROSS-LINKS; MICROTUBULES; ORGANIZATION; TRANSPORT; BUNDLE AB We study the alignment of polar biofilaments, such as microtubules and actin, subject to the action of multiple molecular motors attached simultaneously to more than one filament. Focusing on a paradigm model of only two filaments interacting with multiple motors, we were able to investigate in detail the alignment dynamics. While almost no alignment occurs in the case of a single motor, the filaments become rapidly aligned due to the collective action of the motors. Our analysis shows that the alignment time is governed by the number of bound motors and the magnitude of the motors' stepping fluctuations. We predict that the time scale of alignment is in the order of seconds, much faster than that reported for passive crosslink-induced bundling. In vitro experiments on the alignment of microtubules by multiple-motor covered beads are in qualitative agreement. We also discuss another mode of fast alignment of filaments, namely the cooperation between motors and passive crosslinks. C1 [Ziebert, F.; Aranson, I. S.] Argonne Natl Lab, Argonne, IL 60439 USA. [Ziebert, F.] ESPCI, UMR CNRS Gulliver 7083, Lab Phys Chim Theor, F-75231 Paris, France. [Vershinin, M.; Gross, S. P.] Univ Calif Irvine, Dept Dev & Cell Biol, Irvine, CA 92717 USA. RP Ziebert, F (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM fziebert@turner.pct.espci.fr RI Aranson, Igor/I-4060-2013; OI Vershinin, Michael/0000-0002-8207-1376 FU US DOE [DE-AC02-06CH11357]; NIH [1RO1GM070676]; NIH Ruth L. Kirschstein National Research Service Award FX We thank Stefan Diez, David Lacoste, George Shubeita and Lev Tsimring for useful discussions. F. Z. and I. S. A. acknowledge support by the US DOE, grant DE-AC02-06CH11357, S. P. G. by the NIH Grant 1RO1GM070676 and M. V. by the NIH Ruth L. Kirschstein National Research Service Award postdoctoral fellowship. NR 34 TC 10 Z9 10 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1292-8941 J9 EUR PHYS J E JI Eur. Phys. J. E PD APR PY 2009 VL 28 IS 4 BP 401 EP 409 DI 10.1140/epje/i2008-10434-0 PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 441MC UT WOS:000265772200006 PM 19326156 ER PT J AU Lee, T Leaf, GK AF Lee, T. Leaf, G. K. TI Eulerian description of high-order bounce-back scheme for lattice Boltzmann equation with curved boundary SO EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS LA English DT Article; Proceedings Paper CT 16th Discrete Simulation of Fluid Dynamics International Conference CY JUL 23-27, 2007 CL Univ Calgary, Schulich Sch Engn, Banff, CANADA HO Univ Calgary, Schulich Sch Engn AB We propose an Eulerian description of the bounce-back boundary condition based on the high-order implicit time-marching schemes to improve the accuracy of lattice Boltzmann simulation in the vicinity of curved boundary. The Eulerian description requires only one grid spacing between fluid nodes when second-order accuracy in time and space is desired, although high-order accurate boundary conditions can be constructed on more grid-point support. The Eulerian description also provides an analytical framework for several different interpolation-based boundary conditions. For instance, the semi-Lagrangian, linear interpolation boundary condition is found to be a first-order upwind discretization that changes the time-marching schemes from implicit to explicit as the distance between the fluid boundary node and the solid boundary increases. C1 [Lee, T.] CUNY City Coll, Dept Mech Engn, New York, NY 10031 USA. [Leaf, G. K.] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Lee, T (reprint author), CUNY City Coll, Dept Mech Engn, New York, NY 10031 USA. EM thlee@ccny.cuny.edu RI Lee, Taehun/G-2695-2010 OI Lee, Taehun/0000-0001-9965-5637 NR 9 TC 4 Z9 4 U1 0 U2 2 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 1951-6355 J9 EUR PHYS J-SPEC TOP JI Eur. Phys. J.-Spec. Top. PD APR PY 2009 VL 171 BP 3 EP 8 DI 10.1140/epjst/e2009-01004-0 PG 6 WC Physics, Multidisciplinary SC Physics GA 445IQ UT WOS:000266044900001 ER PT J AU Knutson, CE Noble, DR AF Knutson, C. E. Noble, D. R. TI Embedding sharp interfaces within the lattice Boltzmann method for fluids with arbitrary density ratios SO EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS LA English DT Article; Proceedings Paper CT 16th Discrete Simulation of Fluid Dynamics International Conference CY JUL 23-27, 2007 CL Univ Calgary, Schulich Sch Engn, Banff, CANADA HO Univ Calgary, Schulich Sch Engn ID INCOMPRESSIBLE 2-PHASE FLOWS; SIMULATION; MODEL AB Current lattice Boltzmann methods for simulating two fluids create a diffuse interface between the fluids. In this work, we develop a novel technique for embedding sharp interfaces between fluids with unbounded density ratios for the LB method. Distribution functions streamed across an interface are transformed so that the receiving node is passed information corresponding to its fluid phase. Two different methods are employed to determine the transformation. The first uses analytical distribution functions from steady Poiseuille flow to determine the jump in moments of the distribution functions across the interface. The second uses approximate expansions of distribution functions to determine jumps in distribution functions. The accuracy and stability of the methods are examined in simulations of Poiseuille-Couette flows with an interface parallel to the walls. Both methods show linear convergence to the analytical solution. C1 [Knutson, C. E.; Noble, D. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Knutson, CE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM drnoble@sandia.gov NR 12 TC 4 Z9 4 U1 1 U2 4 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 1951-6355 J9 EUR PHYS J-SPEC TOP JI Eur. Phys. J.-Spec. Top. PD APR PY 2009 VL 171 BP 21 EP 29 DI 10.1140/epjst/e2009-01007-9 PG 9 WC Physics, Multidisciplinary SC Physics GA 445IQ UT WOS:000266044900004 ER PT J AU Locascio, M Peng, B Zapol, P Zhu, Y Li, S Belytschko, T Espinosa, HD AF Locascio, M. Peng, B. Zapol, P. Zhu, Y. Li, S. Belytschko, T. Espinosa, H. D. TI Tailoring the Load Carrying Capacity of MWCNTs Through Inter-shell Atomic Bridging SO EXPERIMENTAL MECHANICS LA English DT Article DE Carbon nanotube; Molecular dynamics; Tensile test; Irradiation; Crosslinking; Strengthening ID MULTIWALLED CARBON NANOTUBES; IRRADIATION-INDUCED DEFECTS; MATERIAL-TESTING-SYSTEM; NANOMECHANICAL CHARACTERIZATION; COMPLEX MATERIALS; YOUNGS MODULUS; ELECTRON; FRACTURE; STRENGTH; BUNDLES AB Recent studies have finally produced accurate measurements of the mechanical properties of carbon nanotubes, confirming the anticipated results computed from quantum and molecular mechanics. Several studies have also predicted an enhancement of these material properties as a result of electron irradiation. Here we prove conclusively through a rigorous TEM imaging study that this enhancement occurs as a result of multiple-shell load transfer through irradiation-induced crosslinks. Using a computational model of the system which mirrors the experimental setup, we show that intershell covalent crosslinks resulting from the irradiation are efficient atomic structures for inter-shell load transfer. A study of the correlation between number of defects and load transfer provides insight into the experimental results and quantifies the increase in load transfer with radiation dose. The combined experimental/computational approach therefore gives a complete understanding of the phenomenon and provides the means for tailoring the mechanical properties of 1-D nanostructures. C1 [Locascio, M.; Peng, B.; Zhu, Y.; Li, S.; Belytschko, T.; Espinosa, H. D.] Northwestern Univ, Dept Mech Engn, Evanston, IL 60208 USA. [Zapol, P.] Div Mat Sci, Argonne Natl Lab, Argonne, IL 60439 USA. RP Espinosa, HD (reprint author), Northwestern Univ, Dept Mech Engn, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM espinosa@northwestern.edu RI Zhu, Yong/C-4845-2008; Espinosa, Horatio/B-6693-2009; Belytschko, Ted/B-6710-2009; Zapol, Peter/G-1810-2012 OI Zhu, Yong/0000-0002-3862-5757; Zapol, Peter/0000-0003-0570-9169 FU NSF [CMMI 0555734]; US Army Research Office [W911NF-08-1-0061, W911NF-08-1-0212]; ONR [N000140710905, N000140810108] FX HDE gratefully acknowledges the financial support for this work provided by the NSF through award CMMI 0555734, the US Army Research Office under grant W911NF-08-1-0061, and the ONR through awards N000140710905 and N000140810108. TB gratefully acknowledges the support of the US Army Research Office under grant W911NF-08-1-0212. The authors would also like to thank George Schatz and Steven Mielke for helpful discussions. NR 45 TC 26 Z9 26 U1 0 U2 9 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0014-4851 J9 EXP MECH JI Exp. Mech. PD APR PY 2009 VL 49 IS 2 BP 169 EP 182 DI 10.1007/s11340-008-9216-3 PG 14 WC Materials Science, Multidisciplinary; Mechanics; Materials Science, Characterization & Testing SC Materials Science; Mechanics GA 434TW UT WOS:000265298000002 ER PT J AU Mello, M Hong, S Rosakis, AJ AF Mello, M. Hong, S. Rosakis, A. J. TI Extension of the Coherent Gradient Sensor (CGS) to the Combined Measurement of In-Plane and Out-of-Plane Displacement Field Gradients SO EXPERIMENTAL MECHANICS LA English DT Article DE Coherent Gradient Sensor (CGS); Diffracted wave front shearing; In-plane displacement field gradients; Out-of-plane displacement field gradients; Moire; Fine pitch grating; Ronchi grating; Phase shifting; Phase map; Crack tip deformation fields; Mode I; Mode II; Mixed mode ID FRACTURE-MECHANICS APPLICATIONS; FILM-SUBSTRATE SYSTEMS; THIN-FILM; CRACK-GROWTH; SHEARING INTERFEROMETRY; PATTERN INTERFEROMETRY; ELECTRONIC SPECKLE; FOURIER OPTICS; DEFORMATIONS; SENSITIVITY AB The Coherent Gradient Sensor (CGS) is extended to the optical differentiation of specular, diffracted wave fronts leading to the combined measurement of in- and out-of-plane displacement field gradients. A derivation of the underlying optical interference principles is presented along with an analysis of the effective instrument sensitivity. In order to demonstrate the capabilities of the technique, experimental measurements of crack-tip deformation fields were conducted under various loading conditions corresponding to mode-I, mode-II, and mixed mode near-tip crack fields. The experimental procedures and results of these tests are presented as validation of the technique. C1 [Mello, M.; Rosakis, A. J.] CALTECH, Grad Aeronaut Labs GALCIT, Pasadena, CA 91125 USA. [Hong, S.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Mello, M (reprint author), CALTECH, Grad Aeronaut Labs GALCIT, Pasadena, CA 91125 USA. EM mello@caltech.edu RI Hong, Soonsung/A-4278-2009 FU US Department of Energy [DE-FG52-06NA 26209, B523297]; Office of Naval Research [N0014-06-1-0730] FX The authors gratefully acknowledge the support of the US Department of Energy (Grant DE-FG52-06NA 26209, ASC grant B523297 (LLNL), and the Office of Naval Research through a Caltech MURI grant, N0014-06-1-0730-Dr. Y. D. S Rajapakse, Program Manager. NR 35 TC 3 Z9 3 U1 0 U2 6 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0014-4851 EI 1741-2765 J9 EXP MECH JI Exp. Mech. PD APR PY 2009 VL 49 IS 2 SI SI BP 277 EP 289 DI 10.1007/s11340-008-9147-z PG 13 WC Materials Science, Multidisciplinary; Mechanics; Materials Science, Characterization & Testing SC Materials Science; Mechanics GA 434TW UT WOS:000265298000011 ER PT J AU Yilmaz, N Lucero, RE Donaldson, AB Gill, W AF Yilmaz, Nadir Lucero, Ralph E. Donaldson, A. Burl Gill, Walt TI Flow characterization of diffusion flame oscillations using particle image velocimetry SO EXPERIMENTS IN FLUIDS LA English DT Article ID INSTABILITY; FLICKER; AIR AB Particle image velocimetry (PIV) was used to measure velocity fields inside and around oscillating methane-air diffusion flames with a slot fuel orifice. PIV provided velocity and directional information of the flow field comprised of both the flame and air. From this, information on flow paths of entrained air into the flame were obtained and visualized. These show that at low fuel flow rates for which the oscillations were strongest, the responsible mechanism for the oscillating flow appeared to be the repetitive occurrence of flame quenching. PIV findings indicated that quenching appears to be associated primarily with air entrainment. Velocity was found to be considerably larger in regions where quenching occurred. The shedding of vortices in the shear layer occurs immediately outside the boundary of the flame envelope and was speculated to be the primary driving force for air entrainment. C1 [Yilmaz, Nadir] New Mexico Inst Min & Technol, Dept Mech Engn, Socorro, NM 87801 USA. [Lucero, Ralph E.] New Mexico State Univ, Dept Mech Engn, Las Cruces, NM 88003 USA. [Donaldson, A. Burl; Gill, Walt] Fire Sci & Technol, Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Yilmaz, N (reprint author), New Mexico Inst Min & Technol, Dept Mech Engn, Socorro, NM 87801 USA. EM yilmaznadir@yahoo.com FU Sandia National Laboratories [380387] FX This work was supported by Sandia National Laboratories under Purchase Order 380387. Support by Dr. James Allen with regard to equipment access, and technical advice on data acquisition and data reduction methodology for this study is gratefully acknowledged. NR 20 TC 4 Z9 5 U1 2 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0723-4864 J9 EXP FLUIDS JI Exp. Fluids PD APR PY 2009 VL 46 IS 4 BP 737 EP 746 DI 10.1007/s00348-008-0605-2 PG 10 WC Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA 431RQ UT WOS:000265081300014 ER PT J AU Evans, JM Patwardhan, A Jenkins, R Ilgner, R Hartman, E Jayanthi, A Knapp, C AF Evans, Joyce McClendon Patwardhan, Abhijit Jenkins, Roger Ilgner, Ralph Hartman, Eric Jayanthi, Ashwin Knapp, Charles TI Autonomic Responses of Men and Women to Particulate Exposures SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Evans, Joyce McClendon] Univ Kentucky, Ctr Biomed Engn, Lexington, KY 40506 USA. [Jenkins, Roger] Oak Ridge Natl Lab, Bozeman, MT USA. [Ilgner, Ralph] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Hartman, Eric] CustomKYnetics, Versailles, KY USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 J9 FASEB J JI Faseb J. PD APR PY 2009 VL 23 MA 612.2 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA V27OC UT WOS:000208621505449 ER PT J AU Gabanyi, M Westbrook, J Tao, WD Shah, R Kouranov, A Schwede, T Arnold, K Kiefer, F Bordoli, L Podvinec, M Kopp, J Adams, P Carter, L Minor, W Nair, R La Baer, J Berman, HM AF Gabanyi, Margaret Westbrook, John Tao, Wendy Shah, Raship Kouranov, Andrei Schwede, Torsten Arnold, Konstantin Kiefer, Florian Bordoli, Lorenza Podvinec, Michael Kopp, Jurgen Adams, Paul Carter, Lester Minor, Wladek Nair, Rajesh La Baer, Joshua Berman, Helen M. TI The Protein Structure Initiative Structural Genomics Knowledgebase SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Gabanyi, Margaret; Westbrook, John; Tao, Wendy; Shah, Raship; Kouranov, Andrei; Berman, Helen M.] Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ USA. [Schwede, Torsten; Arnold, Konstantin; Kiefer, Florian; Bordoli, Lorenza; Podvinec, Michael; Kopp, Jurgen] Univ Basel, Swiss Inst Bioinfomat, Basel, Switzerland. [Schwede, Torsten; Arnold, Konstantin; Kiefer, Florian; Bordoli, Lorenza; Podvinec, Michael; Kopp, Jurgen] Univ Basel, Biozentrum, Basel, Switzerland. [Kopp, Jurgen] Heidelberg Univ, Zentrum Biochem, Heidelberg, Germany. [Adams, Paul; Carter, Lester] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Minor, Wladek] Univ Virginia, Dept Mol Physiol & Biol Phys, Charlottesville, VA USA. [Nair, Rajesh] Columbia Univ, Dept Biochem & Mol Biophys, New York, NY USA. [La Baer, Joshua] Harvard Univ, Sch Med, Harvard Inst Prote, Boston, MA USA. [La Baer, Joshua] Harvard Univ, Sch Med, Dept Biol Chem & Mol Pharmacol, Boston, MA 02115 USA. RI Minor, Wladek/F-3096-2014; Carter, Lester/G-6561-2014 NR 0 TC 0 Z9 0 U1 0 U2 2 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 J9 FASEB J JI Faseb J. PD APR PY 2009 VL 23 MA 858.10 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA V27OC UT WOS:000208621506361 ER PT J AU Green, R Lee, KS Sutter, S Allen, LH Buchholz, B Dueker, SR Miller, JW AF Green, Ralph Lee, Kyung-Seon Sutter, Syrukh Allen, Lindsay H. Buchholz, Bruce Dueker, Stephen R. Miller, Joshua W. TI Evidence that physiological doses of vitamin B12 are metabolized or degraded in the gastrointestinal tract: implications for vitamin B12 bioavailability and fortification SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Green, Ralph; Lee, Kyung-Seon; Miller, Joshua W.] Univ Calif Davis, Sacramento, CA 95817 USA. [Sutter, Syrukh; Allen, Lindsay H.] Univ Calif Davis, Davis, CA 95616 USA. [Allen, Lindsay H.] ARS, USDA, Western Human Nutr Res Ctr, Davis, CA USA. [Buchholz, Bruce] Lawrence Livermore Natl Lab, Livermore, CA USA. [Dueker, Stephen R.] Vitalea Sci, Davis, CA USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 J9 FASEB J JI Faseb J. PD APR PY 2009 VL 23 MA 335.6 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA V27OC UT WOS:000208621506269 ER PT J AU Kerfeld, CA AF Kerfeld, Cheryl A. TI The Joint Genome Institute's Microbial Genome Annotation Program for Undergraduates SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Kerfeld, Cheryl A.] Univ Calif Berkeley, Joint Genome Inst, Walnut Creek, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 J9 FASEB J JI Faseb J. PD APR PY 2009 VL 23 MA 84.2 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA V27OC UT WOS:000208621502026 ER PT J AU Nixon, BT Sysoeva, TA Chowdhury, S Chen, BY Guo, L AF Nixon, B. Tracy Sysoeva, Tatyana A. Chowdhury, Saikat Chen, Baoyu Guo, Liang TI Sequential Action of ATP on the Enhancer Binding AAA plus ATPase NtrC1 SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Nixon, B. Tracy; Sysoeva, Tatyana A.; Chowdhury, Saikat; Chen, Baoyu] Penn State, Biochem & Mol Biol, University Pk, PA USA. [Chen, Baoyu] Univ Texas SW Med Ctr Dallas, Dallas, TX 75390 USA. [Guo, Liang] IIT, BioCAT, Chicago, IL 60616 USA. [Guo, Liang] ANL, Adv Photon Source, Chicago, IL USA. RI Sysoeva, Tatyana/B-2018-2013 NR 0 TC 0 Z9 0 U1 0 U2 0 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 J9 FASEB J JI Faseb J. PD APR PY 2009 VL 23 MA 495.21 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA V27OC UT WOS:000208621504395 ER PT J AU Perevozchikova, T Stanley, C McWilliams-Koeppen, HP Berthelier, V AF Perevozchikova, Tatiana Stanley, Christopher McWilliams-Koeppen, Helen P. Berthelier, Valerie TI Small angle neutron scattering: a powerful tool to study polyglutamine aggregate formation SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Perevozchikova, Tatiana] Univ Tennessee, ORNL, Grad Sch Genome Sci & Technol, Oak Ridge, TN USA. [Perevozchikova, Tatiana; McWilliams-Koeppen, Helen P.; Berthelier, Valerie] Univ Tennessee, Med Ctr, Grad Sch Med, Knoxville, TN USA. [Stanley, Christopher] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN USA. NR 0 TC 0 Z9 0 U1 2 U2 6 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 J9 FASEB J JI Faseb J. PD APR PY 2009 VL 23 MA 851.7 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA V27OC UT WOS:000208621504550 ER PT J AU Weier, HUG AF Weier, H. -Ulli G. TI From Molecules to Men - Molecular Cytogenetics in the 21st Century SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Weier, H. -Ulli G.] LBNL, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 J9 FASEB J JI Faseb J. PD APR PY 2009 VL 23 MA 178.1 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA V27OC UT WOS:000208621505817 ER PT J AU Weier, JF Weier, HUG Fisher, S Munne, S AF Weier, Jingly F. Weier, Heinz-Ulrich G. Fisher, Susan Munne, Santiago TI Single Cell Cytogenetics SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Weier, Jingly F.] Reprogenet CA LLC, San Francisco, CA USA. [Weier, Heinz-Ulrich G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Fisher, Susan] Univ Calif San Francisco, Dept Cell, San Francisco, CA 94143 USA. [Fisher, Susan] Univ Calif San Francisco, Dept Tissue Biol, San Francisco, CA 94143 USA. [Munne, Santiago] Reprogenetic LLC, Livingston, NJ USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 J9 FASEB J JI Faseb J. PD APR PY 2009 VL 23 MA 179.4 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA V27OC UT WOS:000208621500389 ER PT J AU Weier, JF Weier, HUG Fisher, SJ Munne, S AF Weier, Jingly Fung Weier, Heinz-Ulrich G. Fisher, Susan J. Munne, Santiago TI Single Cell Cytogenetics SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Weier, Jingly Fung] Reprogenetics LLC, CA, San Francisco, CA USA. [Weier, Heinz-Ulrich G.] UC LBNL, Life Sci Div 74 157, Berkeley, CA USA. [Fisher, Susan J.] UCSF, San Francisco, CA USA. [Munne, Santiago] Reprogenetics LLC, Livingston, NJ USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 J9 FASEB J JI Faseb J. PD APR PY 2009 VL 23 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA V27OC UT WOS:000208621500349 ER PT J AU Turick, CE Beliaev, AS Zakrajsek, BA Reardon, CL Lowy, DA Poppy, TE Maloney, A Ekechukwu, AA AF Turick, Charles E. Beliaev, Alex S. Zakrajsek, Brian A. Reardon, Catherine L. Lowy, Daniel A. Poppy, Tara E. Maloney, Andrea Ekechukwu, Amy A. TI The role of 4-hydroxyphenylpyruvate dioxygenase in enhancement of solid-phase electron transfer by Shewanella oneidensis MR-1 SO FEMS MICROBIOLOGY ECOLOGY LA English DT Article DE dissimilatory metal-reducing bacteria; pyomelanin; electron shuttle; microbial electron transfer; hydrous ferric oxide; iron minerals ID P-HYDROXYPHENYLPYRUVATE DIOXYGENASE; METAL-REDUCING BACTERIUM; ESCHERICHIA-COLI; VIBRIO-CHOLERAE; ALGAE BRY; LEGIONELLA-PNEUMOPHILA; HOMOGENTISIC ACID; MELA GENE; STRAIN; COLWELLIANA AB We hypothesized that Shewanella oneidensis MR-1, a model dissimilatory metal-reducing bacterium, could utilize environmentally relevant concentrations of tyrosine to produce pyomelanin for enhanced Fe(III) oxide reduction. Because homogentisate is an intermediate of the tyrosine degradation pathway, and a precursor of a redox-cycling metabolite, pyomelanin, we evaluated the process of homogentisate production by S. oneidensis MR-1, in order to identify the key steps involved in pyomelanin production. We determined that two enzymes involved in this pathway, 4-hydroxyphenylpyruvate dioxygenase and homogentisate 1,2-dioxygenase are responsible for homogentisate production and oxidation, respectively. We used genetic analysis and physiological characterization of MR-1 strains either deficient in or displaying substantially increased pyomelanin production. The relative significance imparted by pyomelanin on solid-phase electron transfer was also addressed using electrochemical techniques, which allowed us to extend the genetic and physiological findings to biogeochemical cycling of metals. Based on our findings, environmental production of pyomelanin from available organic precursors could contribute to the survival of S. oneidensis MR-1 when dissolved oxygen concentrations become low, by providing an increased capacity for solid-phase metal reduction. This study demonstrates the role of organic precursors and their concentrations in pyomelanin production, solid phase metal reduction and biogeochemical cycling of iron. C1 [Turick, Charles E.; Ekechukwu, Amy A.] Savannah River Natl Lab, Environm Sci & Biotechnol Dept, Aiken, SC 29808 USA. [Beliaev, Alex S.; Zakrajsek, Brian A.; Reardon, Catherine L.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Lowy, Daniel A.] Nova Res Inc, Alexandria, VA USA. [Poppy, Tara E.] Univ S Carolina, Aiken, SC USA. [Maloney, Andrea] Winthrop Univ, Rock Hill, SC 29733 USA. RP Turick, CE (reprint author), Savannah River Natl Lab, Environm Sci & Biotechnol Dept, Bldg 999W, Aiken, SC 29808 USA. EM charles.turick@srnl.doe.gov RI Beliaev, Alexander/E-8798-2016; OI Beliaev, Alexander/0000-0002-6766-4632; Lowy, Daniel/0000-0003-2210-6757 FU Department of Energy (DOE) Office of Science NABIR/ERSP; Savannah River National Laboratory Directed Research and Development Program; Soil and Groundwater Closure Projects of the Savannah River Site funded through DOE-Environmental Management Program; Battelle Memorial Institute operates PNNL for the DOE [DE-AC05-76RL01830]; SRNL [DE-AC09-08SR22470] FX The authors thank Sterling Tommellini for assistance with HPCE and Thomas H. Cromartie of Zenica Agrichemicals for furnishing the sulcotrione. This research was supported in part through funding by the Department of Energy (DOE) Office of Science NABIR/ERSP and Genomics: GTL programs, the Savannah River National Laboratory Directed Research and Development Program, and Soil and Groundwater Closure Projects of the Savannah River Site funded through DOE-Environmental Management Program. Battelle Memorial Institute operates PNNL for the DOE under contract DE-AC05-76RL01830. This document was prepared in conjunction with work accomplished at SRNL under Contract No. DE-AC09-08SR22470 with the US Department of Energy. NR 56 TC 19 Z9 19 U1 0 U2 10 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0168-6496 J9 FEMS MICROBIOL ECOL JI FEMS Microbiol. Ecol. PD APR PY 2009 VL 68 IS 2 BP 223 EP 235 DI 10.1111/j.1574-6941.2009.00670.x PG 13 WC Microbiology SC Microbiology GA 430TD UT WOS:000265010600010 PM 19573203 ER PT J AU Richmond, MC Deng, ZQ McKinstry, CA Mueller, RR Carlson, TJ Dauble, DD AF Richmond, Marshall C. Deng, Zhiqun McKinstry, Craig A. Mueller, Robert R. Carlson, Thomas J. Dauble, Dennis D. TI Response relationships between juvenile salmon and an autonomous sensor in turbulent flow SO FISHERIES RESEARCH LA English DT Article DE Juvenile salmon; Turbulence; Fish injury; Turbine; Hydropower ID PASSAGE SURVIVAL; FISH; TURBINES AB Juvenile fall Chinook salmon (Oncorhynchus tshawythscha) and an autonomous sensor device (Sensor Fish) were exposed to turbulent shear flows to determine how hydraulic conditions affected fish injury response. Studies were designed to establish correlation metrics between Sensor Fish device measurements and live fish injuries by conducting concurrent releases in a range of turbulent shear flows. Comparisons were made for two exposure scenarios. In the fast-fish-to-slow-water scenario, test fish were carried by the fast-moving water of a submerged turbulent jet into the standing water of a flume. In the slow-fish-to-fast-water scenario, test fish were introduced into a turbulent jet from standing water through an introduction tube placed just outside the edge of the jet. Motion-tracking analysis was performed on high-speed, high-resolution digital videos of all the releases at water jet velocities ranging from 3 to 22.9 m s(-1). Velocities of the Sensor Fish were very similar to those of live fish, but maximum accelerations of live fish were larger than those of Sensor Fish for all the nozzle velocities of both scenarios. A 10% probability of major injury threshold was found to occur at Sensor Fish accelerations of 513 and 260 in s(-2) for the fast-fish-to-slow-water and slow-fish-to-fast-water scenarios, respectively. The findings provide a linkage between laboratory experiments of fish injury, field survival studies, and numerical modeling. (C) 2008 Published by Elsevier B.V. C1 [Richmond, Marshall C.; Deng, Zhiqun; McKinstry, Craig A.; Mueller, Robert R.; Carlson, Thomas J.; Dauble, Dennis D.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Richmond, MC (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM marshall.richmond@pnl.gov RI Richmond, Marshall/D-3915-2013; Deng, Daniel/A-9536-2011 OI Richmond, Marshall/0000-0003-0111-1485; Deng, Daniel/0000-0002-8300-8766 NR 24 TC 7 Z9 7 U1 2 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0165-7836 J9 FISH RES JI Fish Res. PD APR PY 2009 VL 97 IS 1-2 BP 134 EP 139 DI 10.1016/j.fishres.2009.01.011 PG 6 WC Fisheries SC Fisheries GA 430FZ UT WOS:000264975500017 ER PT J AU Soll-Morris, H Sawyer, C Zhang, ZT Shannon, GN Nakano, J Sridhar, S AF Soll-Morris, H. Sawyer, C. Zhang, Z. T. Shannon, G. N. Nakano, J. Sridhar, S. TI The interaction of spherical Al2O3 particles with molten Al2O3-CaO-FeOx-SiO2 slags SO FUEL LA English DT Article DE Refractories; Entrained-slagging gasifier; Oxide; Slags ID IN-SITU OBSERVATION; MGAL2O4 PARTICLES; ALUMINA PARTICLES; COAL-GASIFICATION; VISCOSITIES; DISSOLUTION; MELTS; CAO-AL2O3-SIO2; MODEL; MGO AB The present paper investigates the rate of chemical dissolution of Al2O3 particles in synthetic Al2O3-CaO-FeOx-SiO2 slags as a function of time under an atmosphere where Fe2+ would be the stable state for iron ions dissolved in the slag. Two aspects of the interaction between the Al2O3 spheres and slags were studied, namely (i) the speed at which the particle sinks into the slag and (ii) how rapidly the particles dissolve. The objectives are to elucidate interactions between oxide particulate material, either from the refractory wall or from the mineral constituents in the fuel feedstock, with the slag formed at the wall in entrained-slagging gasifiers. The particle settling was found to proceed first rapidly, but subsequently slowing down and this behavior was in qualitative agreement with model predictions based on a balance between gravity-, drag-, capillary-, and added mass forces. The effect of increasing temperature and FeOx content are investigated and it is shown that both contribute towards increasing the dissolution rate. The rate appears to be governed by a combination of the driving force for dissolution and transport properties in the slag. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Soll-Morris, H.; Sawyer, C.; Zhang, Z. T.; Shannon, G. N.; Nakano, J.; Sridhar, S.] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. [Nakano, J.; Sridhar, S.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Sridhar, S (reprint author), Carnegie Mellon Univ, Dept Mat Sci & Engn, 5000 Forbes Ave, Pittsburgh, PA 15213 USA. EM sridhars@andrew.cmu.edu RI Zhang, Zuotai/B-1030-2012 OI Zhang, Zuotai/0000-0002-3580-6018 FU National Energy Technology Laboratory's on-going research in refractory erosion. [606.08.02.102] FX This technical effort was performed in support of the National Energy Technology Laboratory's on-going research in refractory erosion. Under the RDS contract 606.08.02.102 - Fundamental Study on the Role of Flexible Fuel Feedstock Constituents on Gasification Slag Properties and the Resulting Effect on Refractory Erosion. The present authors wish to thank Dr.S. Halder and Mr.R. Corbari for their discussion during calculation of saturation of slag. Mr. N. Kikuchi, B. Webler and T. Neufer are acknowledged for their technical help during the experiment. NR 27 TC 10 Z9 13 U1 0 U2 8 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0016-2361 J9 FUEL JI Fuel PD APR PY 2009 VL 88 IS 4 BP 670 EP 682 DI 10.1016/j.fuel.2008.10.021 PG 13 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 407XB UT WOS:000263396500013 ER PT J AU Hamza, A Harding, D AF Hamza, Alex Harding, David TI EIGHTEENTH TARGET FABRICATION SPECIALISTS' MEETING PREFACE SO FUSION SCIENCE AND TECHNOLOGY LA English DT Editorial Material C1 [Hamza, Alex] Lawrence Livermore Natl Lab, Livermore, CA USA. [Harding, David] Univ Rochester, Laser Energet Lab, Rochester, NY 14627 USA. RP Hamza, A (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2009 VL 55 IS 3 BP V EP V PG 1 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 427WY UT WOS:000264811000002 ER PT J AU Haan, SW Callahan, DA Edwards, MJ Hammel, BA Ho, DD Jones, OS Lindl, JD MacGowan, BJ Marinak, MM Munro, DH Pollaine, SM Salmonson, JD Spears, BK Suter, LJ AF Haan, S. W. Callahan, D. A. Edwards, M. J. Hammel, B. A. Ho, D. D. Jones, O. S. Lindl, J. D. MacGowan, B. J. Marinak, M. M. Munro, D. H. Pollaine, S. M. Salmonson, J. D. Spears, B. K. Suter, L. J. TI REV3 UPDATE OF REQUIREMENTS FOR NIF IGNITION TARGETS SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 18th Target Fabrication Specialists Meeting CY MAY 11-15, 2008 CL Lake Tahoe, CA DE inertial fusion; National Ignition Facility; target design ID FACILITY; SPECIFICATIONS AB Targets intended to produce ignition on the National Ignition Facility are being simulated, and the simulations are used to set specifications for target fabrication. Recent design work has focused on refining designs that use 1.3 MJ of laser energy, with an ablator of Be(Cu) or CH(Ge). The mainline hohlraum design now has a He-H gas fill and a wall of U-Au layers. The emphasis in this paper is on changes in the requirements over the last year. Complete tables of specifications are regularly updated for all of the targets. All the specifications are rolled together into an error budget indicating adequate margin for ignition with all of the designs. C1 [Haan, S. W.; Callahan, D. A.; Edwards, M. J.; Hammel, B. A.; Ho, D. D.; Jones, O. S.; Lindl, J. D.; MacGowan, B. J.; Marinak, M. M.; Munro, D. H.; Pollaine, S. M.; Salmonson, J. D.; Spears, B. K.; Suter, L. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Haan, SW (reprint author), Lawrence Livermore Natl Lab, L-477,7000 East Ave, Livermore, CA 94550 USA. EM haan1@llnl.gov NR 8 TC 44 Z9 47 U1 1 U2 8 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2009 VL 55 IS 3 BP 227 EP 232 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 427WY UT WOS:000264811000003 ER PT J AU Gibson, CR Atkinson, DP Baltz, JA Brugman, VP Coffield, FE Edwards, OD Haid, BJ Locke, SF Malsbury, TN Shiromizu, SJ Skulina, KM AF Gibson, C. R. Atkinson, D. P. Baltz, J. A. Brugman, V. P. Coffield, F. E. Edwards, O. D. Haid, B. J. Locke, S. F. Malsbury, T. N. Shiromizu, S. J. Skulina, K. M. TI DESIGN OF THE NIF CRYOGENIC TARGET SYSTEM SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 18th Target Fabrication Specialists Meeting CY MAY 11-15, 2008 CL Lake Tahoe, CA DE NIF; cryogenic target system; ignition AB The U.S. Department of Energy has embarked on a campaign to conduct credible fusion ignition experiments on the National Ignition Facility (NIF) at the Lawrence Livermore National Laboratory in 2010. The target assembly specified for this campaign requires the formation of a deuterium-tritium fuel ice layer in a 2-mm-diam capsule at the center of a 9-mm-long X 5-mm-diam cylinder, called a hohlraum. The ice layer must be formed and maintained at temperatures below 20 K. At laser shot time, the target is positioned at the center of the NIF target chamber, aligned to the laser beams, and held stable to <7-mu m root-mean-square. We have completed the final design of the cryogenic target system and are currently integrating the devices necessary to create, characterize, and position the cryogenic target for ignition experiments. C1 [Gibson, C. R.; Baltz, J. A.] Gen Atom Co, San Diego, CA 92186 USA. [Atkinson, D. P.; Brugman, V. P.; Coffield, F. E.; Edwards, O. D.; Haid, B. J.; Locke, S. F.; Malsbury, T. N.; Shiromizu, S. J.; Skulina, K. M.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Gibson, CR (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. EM gibson31@llnl.gov NR 5 TC 6 Z9 8 U1 1 U2 7 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2009 VL 55 IS 3 BP 233 EP 236 PG 4 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 427WY UT WOS:000264811000004 ER PT J AU Koch, JA Kozioziemski, BJ Salmonson, J Chernov, A Atherton, LJ Dewald, E Izumi, N Johnson, MA Kucheyev, S Lugten, J Mapoles, E Moody, JD Pipes, JW Sater, JD Stefanescu, D AF Koch, J. A. Kozioziemski, B. J. Salmonson, J. Chernov, A. Atherton, L. J. Dewald, E. Izumi, N. Johnson, M. A. Kucheyev, S. Lugten, J. Mapoles, E. Moody, J. D. Pipes, J. W. Sater, J. D. Stefanescu, D. TI OPTICAL AND X-RAY CHARACTERIZATION OF GROOVE PROFILES IN D-T ICE LAYERS SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 18th Target Fabrication Specialists Meeting CY MAY 11-15, 2008 CL Lake Tahoe, CA DE cryogenic ice; phase contrast; grain boundary groove ID OBJECTS; SIZE AB Deuterium-tritium (D-T) single-crystal ice layers in spherical shells often form with localized defects that we believe are vapor-etched grain boundary grooves built from dislocations and accommodating slight misorientations between contacting lattice regions. Ignition implosion target requirements limit the cross-sectional areas and total lengths of these grooves, and since they are often the dominant factor in determining layer surface quality, it is important that we be able to characterize their depths, widths, and lengths. We present a variety of ray-tracing and diffraction image modeling results that support our understanding of the profiles of the grooves, which is grounded in X-ray and optical imaging data. We also describe why these data are nevertheless insufficient to adequately determine whether or not a particular layer meets the groove requirements for ignition. We present accumulated data showing the distribution of groove depths, widths, and lengths from a number of layers, and we discuss how these data motivate the adoption of layer rejection criteria in order to ensure that layers that pass these criteria will almost certainly meet the groove requirements. We also describe future improvements that will provide more quantitative information about grooves in D-T ice layers. C1 [Koch, J. A.; Kozioziemski, B. J.; Salmonson, J.; Chernov, A.; Atherton, L. J.; Dewald, E.; Izumi, N.; Johnson, M. A.; Kucheyev, S.; Lugten, J.; Mapoles, E.; Moody, J. D.; Pipes, J. W.; Sater, J. D.; Stefanescu, D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Koch, JA (reprint author), Lawrence Livermore Natl Lab, POB 808,L-481, Livermore, CA 94550 USA. EM koch1@llnl.gov RI IZUMI, Nobuhiko/J-8487-2016 OI IZUMI, Nobuhiko/0000-0003-1114-597X NR 8 TC 4 Z9 4 U1 1 U2 6 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2009 VL 55 IS 3 BP 244 EP 252 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 427WY UT WOS:000264811000006 ER PT J AU Izumi, N Dewald, E Kozioziemski, B Landen, OL Koch, JA AF Izumi, N. Dewald, E. Kozioziemski, B. Landen, O. L. Koch, J. A. TI DEVELOPMENT OF A LASER-PRODUCED PLASMA X-RAY SOURCE FOR PHASE-CONTRAST RADIOGRAPHY OF D-T ICE LAYERS SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 18th Target Fabrication Specialists Meeting CY MAY 11-15, 2008 CL Lake Tahoe, CA DE inertial confinement fusion; cryo layering; X-ray phase contrast imaging ID IGNITION AB Refraction-enhanced X-ray phase-contrast imaging is crucial for characterization of deuterium-tritium (D-T) ice layer roughness in optically opaque inertial confinement-fusion capsules. Observation of the time development of D-T ice roughness over approximately second timescales requires a bright X-ray source that can produce an image faster than the evolution of the ice surface roughness. A laser-produced plasma X-ray source is one of the candidates that can meet this requirement. Experiments were performed at the Janus laser facility at Lawrence Livermore National Laboratory to assess the characteristics of a laser-produced plasma X-ray source as a potential backlight for in situ target characterization. C1 [Izumi, N.; Dewald, E.; Kozioziemski, B.; Landen, O. L.; Koch, J. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Izumi, N (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA. EM izumi2@llnl.gov RI IZUMI, Nobuhiko/J-8487-2016 OI IZUMI, Nobuhiko/0000-0003-1114-597X NR 13 TC 2 Z9 2 U1 0 U2 3 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2009 VL 55 IS 3 BP 253 EP 259 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 427WY UT WOS:000264811000007 ER PT J AU Dewald, E Kozioziemski, B Moody, J Koch, J Mapoles, E Montesanti, R Youngblood, K Letts, S Nikroo, A Sater, J Atherton, J AF Dewald, E. Kozioziemski, B. Moody, J. Koch, J. Mapoles, E. Montesanti, R. Youngblood, K. Letts, S. Nikroo, A. Sater, J. Atherton, J. TI BENCHMARKING X-RAY PHASE CONTRAST IMAGING FOR ICF D-T ICE CHARACTERIZATION USING ROUGHENED SURROGATES SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 18th Target Fabrication Specialists Meeting CY MAY 11-15, 2008 CL Lake Tahoe, CA DE cryogenic deuterium-tritium layered capsules; X-ray phase contrast radiography; atomic force microscopy ID CAPSULES AB We use X-ray phase contrast imaging to characterize the inner surface roughness of deuterium-tritium (D-T) ice layers in capsules for future ignition experiments. It is therefore important to quantify how well the X-ray data correlate with the actual ice roughness. We benchmarked the accuracy of our system using surrogates with fabricated roughness characterized with high precision standard techniques. Cylindrical surrogates with azimuthally uniform sinusoidal perturbations with 100-mu m period and 1-mu m amplitude demonstrated 0.02-mu m accuracy limited by the resolution of the imager and the source size of our phase contrast system. Spherical surrogates with random roughness close to that required for the D-T ice for a successful ignition experiment were used to correlate the actual surface roughness to that obtained from the X-ray measurements. We compare first the average power spectra of individual measurements. The accuracy mode number limits of the X-ray phase contrast system benchmarked against surface characterization performed by atomic force microscopy are 60 and 90 for surrogates smoother and rougher than the required roughness for the ice. These agreement mode number limits are about 100 when comparing matching individual measurements. We will discuss the implications for interpreting D-T ice roughness data derived from phase contrast X-ray imaging. C1 [Dewald, E.; Kozioziemski, B.; Moody, J.; Koch, J.; Mapoles, E.; Montesanti, R.; Letts, S.; Sater, J.; Atherton, J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Youngblood, K.; Nikroo, A.] Gen Atom Co, San Diego, CA 92186 USA. RP Dewald, E (reprint author), Lawrence Livermore Natl Lab, POB 808,L-399, Livermore, CA 94551 USA. EM dewald3@llnl.gov NR 9 TC 2 Z9 2 U1 0 U2 2 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2009 VL 55 IS 3 BP 260 EP 268 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 427WY UT WOS:000264811000008 ER PT J AU Alger, ET Dzenitis, EG Mapoles, ER Klingmann, JL Bhandarkar, SD Reynolds, JG Florio, JW Lord, DM Castro, C Segraves, K AF Alger, E. T. Dzenitis, E. G. Mapoles, E. R. Klingmann, J. L. Bhandarkar, S. D. Reynolds, J. G. Florio, J. W. Lord, D. M. Castro, C. Segraves, K. TI EXPERIMENTAL D-T ICE-LAYERING TARGET ASSEMBLY SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 18th Target Fabrication Specialists Meeting CY MAY 11-15, 2008 CL Lake Tahoe, CA DE target; National Ignition Campaign; National Ignition Facility AB Inertial confinement fusion ignition experiments in the National Ignition Facility require a capsule containing deuterium-tritium fuel at cryogenic temperatures. To better understand how to produce and control the required uniform fuel ice layer, experimental layering targets are fabricated and assembled to be dimensionally similar to the ignition targets and vacuum leaktight at 18 K. Low,production yield of these targets demanded a more quantitative understanding of the interfacial behavior of bonded joints and required the development of more deterministic assembly methods. Each sealing joint was individually analyzed, and target components, assembly processes, and tooling were modified as needed to make robust leaktight targets. The function, design, and assembly methods of experimental layering targets are described. C1 [Alger, E. T.; Florio, J. W.] Gen Atom Co, San Diego, CA 92186 USA. [Dzenitis, E. G.; Mapoles, E. R.; Klingmann, J. L.; Bhandarkar, S. D.; Reynolds, J. G.; Lord, D. M.; Castro, C.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Segraves, K.] IAP, Livermore, CA 94550 USA. RP Alger, ET (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. EM alger5@llnl.gov NR 3 TC 4 Z9 6 U1 0 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2009 VL 55 IS 3 BP 269 EP 275 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 427WY UT WOS:000264811000009 ER PT J AU Haid, BJ Malsbury, TN Gibson, CR Warren, CT AF Haid, B. J. Malsbury, T. N. Gibson, C. R. Warren, C. T. TI MEASUREMENT OF TOTAL CONDENSATION ON A SHROUDED CRYOGENIC SURFACE USING A SINGLE QUARTZ CRYSTAL MICROBALANCE SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 18th Target Fabrication Specialists Meeting CY MAY 11-15, 2008 CL Lake Tahoe, CA DE cryogenic microbalance; condensation; target cryostat ID CARBON-DIOXIDE; COEFFICIENTS; MOLECULES; VACUUM AB A single quartz crystal microbalance (QCM) is cooled to 18 K to measure condensation rates inside of a retractable shroud enclosure. The shroud is designed to minimize condensate on fusion targets to be fielded at the National Ignition Facility (NIF). The shroud has a double-walled construction with an inner wall that may be cooled to 75 to 100 K. The QCM and the shroud system were mounted in a vacuum chamber and cooled using a cryocooler. Condensation rates were measured at various vacuum levels and compositions and with the shroud open or closed. A technique for measuring total condensate during the cool-down of the system with an accuracy of >1 X 10(-6) g/cm(2) was also demonstrated The technique involves a separate measurement of the condensate-free crystal frequency as a function of temperature that is compared to the measurement for the cooldown trend of interest. The shroud significantly reduces the condensation rates of all gases and effectively eliminates H(2)O condensation. C1 [Haid, B. J.; Malsbury, T. N.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Gibson, C. R.; Warren, C. T.] Gen Atom Co, San Diego, CA 92186 USA. RP Haid, BJ (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM haid1@llnl.gov NR 15 TC 3 Z9 4 U1 1 U2 5 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2009 VL 55 IS 3 BP 276 EP 282 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 427WY UT WOS:000264811000010 ER PT J AU Schmidt, DW AF Schmidt, Derek William TI DEVELOPMENT OF THE TRIPLE THETA ASSEMBLY STATION WITH MACHINE VISION FEEDBACK SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 18th Target Fabrication Specialists Meeting CY MAY 11-15, 2008 CL Lake Tahoe, CA DE assembly station; machine vision; Matlab AB Increased requirements for tighter tolerances on assembled target components in complex three-dimensional geometries with only days to assemble complete campaigns require the implementation of a computer-controlled high-precision assembly station. Over the last year, an 11-axis computer-controlled assembly station has been designed and built with custom software to handle the multiple coordinate systems and automatically calculate all relational positions. Preliminary development efforts have also been done to explore the benefit of a machine vision feedback module with a dual-camera viewing system to automate certain basic features like crosshair calibration, component leveling, and component centering. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Schmidt, DW (reprint author), Los Alamos Natl Lab, SM30 Bikini Atoll Rd,MS E549, Los Alamos, NM 87545 USA. EM dwschmidt@lanl.gov NR 2 TC 4 Z9 4 U1 0 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2009 VL 55 IS 3 BP 290 EP 295 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 427WY UT WOS:000264811000012 ER PT J AU Day, RD Fierro, F Garcia, FP Hatch, DJ Randolph, RB Reardon, P Rivera, G AF Day, Robert D. Fierro, Frank Garcia, Felix P. Hatch, Douglass J. Randolph, Randall B. Reardon, Patrick Rivera, Gerald TI SPECIALIZED MACHINING TECHNIQUES FOR TARGET AND DIAGNOSTIC FABRICATION SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 18th Target Fabrication Specialists Meeting CY MAY 11-15, 2008 CL Lake Tahoe, CA DE machining; precision fabrication; target fabrication AB During the course of machining targets for various experiments, in sometimes becomes necessary to take fixtures or machines that are designed for one function and adapt them to another function. When adapting a machine or fixture is not adequate, it may be necessary to acquire a machine specifically designed to produce the component required. In addition to the above scenarios, the features of a component may dictate that multistep machining processes are necessary to produce the component. This paper discusses the machining of four components where adaptation, specialized machine design, or multistep processes were necessary to produce the components. C1 [Day, Robert D.; Fierro, Frank; Garcia, Felix P.; Hatch, Douglass J.; Randolph, Randall B.; Reardon, Patrick; Rivera, Gerald] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Day, RD (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM rdday@lanl.gov NR 1 TC 3 Z9 3 U1 1 U2 2 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2009 VL 55 IS 3 BP 301 EP 307 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 427WY UT WOS:000264811000014 ER PT J AU Miles, R Hamilton, J Crawford, J Ratti, S Trevino, J Graff, T Stockton, C Harvey, C AF Miles, Robin Hamilton, Julie Crawford, Jackie Ratti, Susan Trevino, Jim Graff, Tim Stockton, Cheryl Harvey, Chris TI MICROFABRICATED DEEP-ETCHED STRUCTURES FOR ICF AND EQUATION-OF-STATE TARGETS SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 18th Target Fabrication Specialists Meeting CY MAY 11-15, 2008 CL Lake Tahoe, CA DE target; microfabrication; deep etched AB Microfabrication techniques, derived from the semiconductor industry, can be used to make a variety of useful mechanical components for targets. A selection of target components fabricated using deep-etched materials including supporting cooling arms for prototype cryogenic inertial confinement fusion targets, and stepped and graded density targets for materials dynamics experiments is described. Microfabrication enables cost-effective, simultaneous fabrication of multiple high-precision components with complex geometries. C1 [Miles, Robin; Hamilton, Julie; Crawford, Jackie; Ratti, Susan; Trevino, Jim; Graff, Tim; Stockton, Cheryl; Harvey, Chris] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Miles, R (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA. EM miles7@llnl.gov NR 4 TC 3 Z9 7 U1 0 U2 2 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2009 VL 55 IS 3 BP 308 EP 312 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 427WY UT WOS:000264811000015 ER PT J AU Bono, MJ Langstaff, GQ Cervantes, O Akaba, CM Strodtbeck, SR Hamza, AV Teslich, NE Foreman, RJ Lotscher, JP Nyce, GW Page, RH Dittrich, TR Glendinning, G AF Bono, Matthew J. Langstaff, George Q. Cervantes, Octavio Akaba, Craig M. Strodtbeck, Steven R. Hamza, Alex V. Teslich, Nick E. Foreman, Ronald J. Lotscher, Johann P. Nyce, Gregory W. Page, Ralph H. Dittrich, Thomas R. Glendinning, Gail TI NANOPOROUS METAL COMPONENTS BONDED WITH SPUTTERED SOLDER FOR EQUATION-OF-STATE LASER TARGETS SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 18th Target Fabrication Specialists Meeting CY MAY 11-15, 2008 CL Lake Tahoe, CA DE laser target; equation of state; nanoporous copper ID FOAMS AB Targets were fabricated at Lawrence Livermore National Laboratory and were shot on the Omega laser to study the equation of state of nanoporous copper. The targets had a planar configuration and consisted of a 25-mu m-thick beryllium ablator, a 70-mu m-thick brominated-polystyrene preheat shield, and a 38-mu m-thick aluminum baseplate. A quartz window and a 30-mu m-thick nanoporous copper sample were bonded to the baseplate. The interface between the nanoporous copper and the aluminum baseplate was required to be as thin as possible so that it would not disturb the shock as it passed through the target. A process for bonding the nanoporous copper was developed that did not compact it or otherwise degrade its structure. An acceptable bond was achieved by sputtering a layer of indium-based solder onto the surface of the nanoporous copper and on the aluminum baseplate. The components were assembled and heated to melt the solder. The resulting solder interface had a thickness of similar to 1.5 mu m. The targets performed as expected in the experiments, and the interface between the nanoporous copper and the baseplate did not appear to significantly affect the shock as it passed through the target. C1 [Bono, Matthew J.; Langstaff, George Q.; Cervantes, Octavio; Akaba, Craig M.; Strodtbeck, Steven R.; Hamza, Alex V.; Teslich, Nick E.; Foreman, Ronald J.; Lotscher, Johann P.; Nyce, Gregory W.; Page, Ralph H.; Dittrich, Thomas R.; Glendinning, Gail] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Bono, MJ (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM bono1@llnl.gov NR 7 TC 0 Z9 0 U1 1 U2 7 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2009 VL 55 IS 3 BP 318 EP 324 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 427WY UT WOS:000264811000017 ER PT J AU Dahari, H Layden-Almer, JE Kallwitz, E Ribeiro, RM Cotler, SJ Layden, TJ Perelson, AS AF Dahari, Harel Layden-Almer, Jennifer E. Kallwitz, Eric Ribeiro, Ruy M. Cotler, Scott J. Layden, Thomas J. Perelson, Alan S. TI A Mathematical Model of Hepatitis C Virus Dynamics in Patients With High Baseline Viral Loads or Advanced Liver Disease SO GASTROENTEROLOGY LA English DT Article ID INTERFERON-ALPHA-2B PLUS RIBAVIRIN; ANTIVIRAL THERAPY; PEGINTERFERON ALPHA-2A; INITIAL TREATMENT; PEGYLATED INTERFERON; AMERICAN PATIENTS; RANDOMIZED-TRIAL; AFRICAN-AMERICAN; HCV GENOTYPE-1; DRUG EFFICACY AB Background & Aims: Patients with baseline hepatitis C virus-RNA levels (bHCV-RNA) > 6 log IU/mL or cirrhosis have a reduced probability of a sustained-virologic response (SVR). We examined the relation between bHCV-RNA, cirrhosis, and SVR with a mathematical model that includes the critical-drug efficacy (epsilon(c); the efficacy required for a drug to clear HCV), the infection-rate constant (beta), and the percentage of HCV-infected hepatocytes (pi). Methods: The relation between baseline factors and SVR was evaluated in 1000 in silico HCV-infected patients, generated by random assignment of realistic host and viral kinetic parameters. Model predictions were compared with clinical data from 170 noncirrhotic and 75 cirrhotic patients. Results: The ranges chosen for beta and the viral production rate (p) resulted in bHCV-RNA levels that were in agreement with the distribution observed in US patients. With these beta and p values, higher bHCV-RNA levels led to higher epsilon(c), resulting in lower SVR rates. However, higher beta values resulted in lower bHCV-RNA levels but higher pi and epsilon(c), predicting lower rates of SVR. Cirrhotic patients had lower bHCV-RNA levels than noncirrhotic patients (P = .013), and more had bHCV-RNA levels < 6 log IU/mL (P < .001). Even cirrhotic patients with lower bHCV-RNA levels had lower SVR rates. An increase in beta could explain the results observed in cirrhotic patients. Conclusions: Our model predicts that higher bHCV-RNA levels lead to higher epsilon(c), reducing the chance of achieving SVR, cirrhotic patients have lower SVR rates because of large pi values, caused by increased rates of hepatocyte infection. C1 [Ribeiro, Ruy M.; Perelson, Alan S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Dahari, Harel; Layden-Almer, Jennifer E.; Kallwitz, Eric; Cotler, Scott J.; Layden, Thomas J.] Univ Illinois, Dept Med, Chicago, IL USA. RP Perelson, AS (reprint author), Los Alamos Natl Lab, MS-K710, Los Alamos, NM 87545 USA. EM asp@lanl.gov OI Ribeiro, Ruy/0000-0002-3988-8241 FU U.S. Department of Energy [DE-AC52-06NA25396]; National Institutes of Health (NIH) [RR06555, AI28433, AI065256, P20-RR18754] FX This research was performed under the auspices of the U.S. Department of Energy under contract DE-AC52-06NA25396 and supported by the National Institutes of Health (NIH) grants RR06555, AI28433, AI065256 (to A.S.P.), and P20-RR18754 (to R.M.R and H.D). H.D is supported by the University of Illinois Gastrointestinal and Liver Disease (GILD) Association. NR 48 TC 25 Z9 25 U1 0 U2 1 PU W B SAUNDERS CO-ELSEVIER INC PI PHILADELPHIA PA 1600 JOHN F KENNEDY BOULEVARD, STE 1800, PHILADELPHIA, PA 19103-2899 USA SN 0016-5085 J9 GASTROENTEROLOGY JI Gastroenterology PD APR PY 2009 VL 136 IS 4 BP 1402 EP 1409 DI 10.1053/j.gastro.2008.12.060 PG 8 WC Gastroenterology & Hepatology SC Gastroenterology & Hepatology GA 426OB UT WOS:000264716500041 PM 19208338 ER PT J AU Wylie, CS Ghim, CM Kessler, D Levine, H AF Wylie, C. Scott Ghim, Cheol-Min Kessler, David Levine, Herbert TI The Fixation Probability of Rare Mutators in Finite Asexual Populations SO GENETICS LA English DT Article ID MUTATION-RATES; ESCHERICHIA-COLI; CYSTIC-FIBROSIS; BENEFICIAL MUTATIONS; EXPERIMENTAL EVOLUTION; DELETERIOUS MUTATION; NATURAL-SELECTION; BACTERIA; LANDSCAPE; BOTTLENECKS AB A mutator is an allele that increases the Mutation rate throughout the genome by disrupting some aspect of DNA replication or repair. Mutators that increase the mutation rate by the order of 100-fold have been observed to spontaneously emerge and achieve high frequencies in natural populations and in long-term laboratory evolution experiments with Escherichia coli. In principle, the fixation of mutator alleles is limited by (i) competition with mutations in wild-type backgrounds, (ii) additional deleterious mutational load, and (iii) random genetic drift. Using a multiple-locus model and employing both simulation and analytic methods, we investigate the effects of these three factors on the fixation probability P(fix) of an initially rare mutator as a function of population size N, beneficial and deleterious mutation rates, and the Strength of imitations s. Our diffusion-based approximation for P(fix) successfully captures effects ii and iii when selection is fast compared to mutation (mu/s << 1). This enables us to predict the conditions tinder which mutators will be evolutionarily favored. Surprisingly, our simulations show that effect i is typically small for strong-effect mutators. Our results agree semiquantitatively with existing laboratory evolution experiments and suggest future experimental directions. C1 [Wylie, C. Scott; Levine, Herbert] Univ Calif San Diego, Ctr Theoret Biol Phys, La Jolla, CA 92093 USA. [Ghim, Cheol-Min] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Kessler, David] Bar Ilan Univ, Dept Phys, IL-52900 Ramat Gan, Israel. RP Wylie, CS (reprint author), Univ Calif San Diego, Ctr Theoret Biol Phys, 9500 Gilman Dr, La Jolla, CA 92093 USA. EM cwylie@physics.ucsd.edu RI Kessler, David/B-1391-2008; Ghim, Cheol-Min/E-9072-2010; Levine, Herbert/C-1704-2008 OI Kessler, David/0000-0002-5279-1655; Levine, Herbert/0000-0002-8819-9055 FU National Science Foundation [PHY-0822283]; Israel Science Foundation FX We thank Terry Hwa, Ulrich Gerland, Lin Chao, and Aaron Trout for helpful discussions. We also thank two anonymous reviewers for their thoughtful and constructive criticism. The work of H.L. and C.S.W was supported in pal-L by the National Science Foundation Physics Frontier Center-sponsored Center for Theoretical Biological Physics (grant. no. PHY-0822283), The work of D.A.K. was supported in part, by the Israel Science Foundation. NR 55 TC 18 Z9 18 U1 0 U2 4 PU GENETICS PI BALTIMORE PA 428 EAST PRESTON ST, BALTIMORE, MD 21202 USA SN 0016-6731 J9 GENETICS JI Genetics PD APR PY 2009 VL 181 IS 4 BP 1595 EP 1612 DI 10.1534/genetics.108.094532 PG 18 WC Genetics & Heredity SC Genetics & Heredity GA 499IW UT WOS:000270213700035 PM 19153261 ER PT J AU Dubchak, I Poliakov, A Kislyuk, A Brudno, M AF Dubchak, Inna Poliakov, Alexander Kislyuk, Andrey Brudno, Michael TI Multiple whole-genome alignments without a reference organism SO GENOME RESEARCH LA English DT Article ID CONSERVED NONCODING SEQUENCES; GENE PREDICTION; MOUSE; ELEMENTS; REARRANGEMENT; TOOLS; MODEL; RAT AB Multiple sequence alignments have become one of the most commonly used resources in genomics research. Most algorithms for multiple alignment of whole genomes rely either on a reference genome, against which all of the other sequences are laid out, or require a one-to-one mapping between the nucleotides of the genomes, preventing the alignment of recently duplicated regions. Both approaches have drawbacks for whole-genome comparisons. In this paper we present a novel symmetric alignment algorithm. The resulting alignments not only represent all of the genomes equally well, but also include all relevant duplications that occurred since the divergence from the last common ancestor. Our algorithm, implemented as a part of the VISTA Genome Pipeline (VGP), was used to align seven vertebrate and six Drosophila genomes. The resulting whole-genome alignments demonstrate a higher sensitivity and specificity than the pairwise alignments previously available through the VGP and have higher exon alignment accuracy than comparable public whole-genome alignments. Of the multiple alignment methods tested, ours performed the best at aligning genes from multigene families-perhaps the most challenging test for whole-genome alignments. Our whole- genome multiple alignments are available through the VISTA Browser at http://genome.lbl.gov/vista/index.shtml. C1 [Brudno, Michael] Univ Toronto, Banting & Best Dept Med Res, Dept Comp Sci, Toronto, ON M5R 3G4, Canada. [Brudno, Michael] Univ Toronto, Ctr Anal Genome Evolut & Funct, Toronto, ON M5R 3G4, Canada. [Dubchak, Inna; Poliakov, Alexander] Univ Calif Berkeley, Lawrence Berkeley Lab, Genome Sci Div, Berkeley, CA 94720 USA. [Dubchak, Inna] DOE Joint Genome Inst, Walnut Creek, CA 94598 USA. [Kislyuk, Andrey] Georgia Inst Technol, Dept Comp Sci, Atlanta, GA 30332 USA. RP Brudno, M (reprint author), Univ Toronto, Banting & Best Dept Med Res, Dept Comp Sci, Toronto, ON M5R 3G4, Canada. EM brudno@cs.toronto.edu FU US NIH [R01-GM81080]; NSERC Discovery [327669]; Director, Office of Science, Office of Basic Energy Sciences, of the U. S. Department of Energy [DE-AC02-05CH11231] FX We thank Rotem Sorek, Adrian Dalca, and Nilgun Donmez for critical readings of this manuscript. We are also grateful to the anonymous reviewers for their feedback. Funding was provided by the US NIH grant R01-GM81080 and NSERC Discovery Grant 327669. This work was also 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 38 TC 42 Z9 43 U1 1 U2 10 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI WOODBURY PA 500 SUNNYSIDE BLVD, WOODBURY, NY 11797-2924 USA SN 1088-9051 J9 GENOME RES JI Genome Res. PD APR PY 2009 VL 19 IS 4 BP 682 EP 689 DI 10.1101/gr.081778.108 PG 8 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity GA 427LX UT WOS:000264781900017 PM 19176791 ER PT J AU Khodiyar, VK Maltais, LJ Ruef, BJ Sneddon, KMB Smith, JR Shimoyama, M Cabral, F Dumontet, C Dutcher, SK Harvey, RJ Lafanechere, L Murray, JM Nogales, E Piquemal, D Stanchi, F Povey, S Lovering, RC AF Khodiyar, Varsha K. Maltais, Lois J. Ruef, Barbara J. Sneddon, Katherine M. B. Smith, Jennifer R. Shimoyama, Mary Cabral, Fernando Dumontet, Charles Dutcher, Susan K. Harvey, Robert J. Lafanechere, Laurence Murray, John M. Nogales, Eva Piquemal, David Stanchi, Fabio Povey, Sue Lovering, Ruth C. TI A revised nomenclature for the human and rodent alpha-tubulin gene family (vol 90, pg 285, 2007) SO GENOMICS LA English DT Correction C1 [Khodiyar, Varsha K.; Sneddon, Katherine M. B.; Povey, Sue; Lovering, Ruth C.] UCL, Dept Biol, HUGO Gene Nomenclature Comm, London NW1 2HE, England. [Maltais, Lois J.] Jackson Lab, Mouse Genom Nomenclature Comm, Bar Harbor, ME 04609 USA. [Ruef, Barbara J.] NIH, Natl Ctr Biotechnol Informat, Natl Lib Med, Bethesda, MD 20892 USA. [Smith, Jennifer R.; Shimoyama, Mary] Med Coll Wisconsin, Bioinformat Res Ctr, Milwaukee, WI 53226 USA. [Cabral, Fernando] Univ Texas Houston, Sch Med, Dept Integrat Biol & Pharmacol, Houston, TX 77030 USA. [Dumontet, Charles] Univ Claude Bernard, Fac Med, Lab Cytol Analyt, Unite Inst Natl Sante & Rech Med 590, F-69373 Lyon, France. [Dutcher, Susan K.] Washington Univ, Sch Med, Dept Genet, St Louis, MO 63110 USA. [Harvey, Robert J.] Univ London, Sch Pharm, Dept Pharmacol, London WC1N 1AX, England. [Lafanechere, Laurence] CEA Grenoble, Inst Rech Technol & Sci Vivant, Ctr Criblage Mol Bioact, F-38054 Grenoble, France. [Murray, John M.] Univ Penn, Dept Cell & Dev Biol, Philadelphia, PA 19104 USA. [Nogales, Eva] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Nogales, Eva] Univ Calif Berkeley, Howard Hughes Med Inst, Mol & Cell Biol Dept, Berkeley, CA 94720 USA. [Piquemal, David] Bioinformat Ctr, Skuld Tech Labs, Montpellier, France. [Povey, Sue] Ctr Antoine Lacassagne, Inst Signaling Dev Biol & Canc Res, CNRS, UMR6543, Nice, France. RP Khodiyar, VK (reprint author), UCL, Dept Biol, HUGO Gene Nomenclature Comm, 4 Stephenson Way, London NW1 2HE, England. EM nome@galton.ucl.ac.uk OI Khodiyar, Varsha/0000-0002-2743-6918 NR 1 TC 0 Z9 0 U1 0 U2 2 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0888-7543 J9 GENOMICS JI Genomics PD APR PY 2009 VL 93 IS 4 BP 397 EP 397 DI 10.1016/j.ygeno.2008.12.002 PG 1 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA 431HC UT WOS:000265051200014 ER PT J AU Nishiizumi, K Arnold, JR Kohl, CP Caffee, MW Masarik, J Reedy, RC AF Nishiizumi, K. Arnold, J. R. Kohl, C. P. Caffee, M. W. Masarik, J. Reedy, R. C. TI Solar cosmic ray records in lunar rock 64455 SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID HIGH-ENERGY PROTONS; PRODUCTION CROSS-SECTIONS; COSMOGENIC NUCLIDE PRODUCTION; IMPACT-MELT SPLASHES; ELEMENTS 6-LESS-THAN-OR-EQUAL-TO-Z-LESS-THAN-OR-EQUAL-TO-29; EXTRATERRESTRIAL MATTER; MODEL-CALCULATIONS; DEPTH PROFILES; AMS STANDARDS; AL-26 AB Cosmic ray produced (10)Be (half-life = 1.36 x 10(6) yr), (26)Al (7.05 x 10(5) yr), and (36)Cl (3.01 x 10(5) yr) were measured in a depth profile of 19 carefully-ground samples from the glass-coated lunar surface rock 64455. The solar cosmic ray (SCR) produced (26)Al and (36)Cl in this rock are present in high concentrations, which in combination with the low observed erosion rate, <0.5 mm/Myr, provide well defined depth profiles characterizing the SCR component of the cosmic rays. In conjunction with new experimentally determined excitation functions, the (36)Cl concentrations suggest a softer solar-proton spectral shape than that derived from most previous measurements. The fact that no SCR-produced (10)Be activity could be detected in 64455 is in good agreement with observations in 68815 and also indicates a softer SCR spectrum. Comparison of observed SCR profiles in 64455 with theoretical calculations indicates that the average solar-proton spectrum over the past 2 Myr (based on (26)Al) has an exponential rigidity parameter (R(0)) of about 90 MV with a proton flux (J) of 73 protons/cm(2)/s.4 pi above 10 MeV. Over the last similar to 0.5 Myr (based on (36)Cl) R(0) is about 70 MV with a flux of similar to 196 protons/cm(2)/s.4 pi above 10 MeV. These SCR fluxes are consistent with most previous work, (c) 2009 Elsevier Ltd. All rights reserved. C1 [Nishiizumi, K.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Arnold, J. R.; Kohl, C. P.] Univ Calif San Diego, Dept Chem, La Jolla, CA 92037 USA. [Caffee, M. W.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94551 USA. [Masarik, J.] Comenius Univ, Dept Nucl Phys, SK-84248 Bratislava, Slovakia. [Reedy, R. C.] Univ New Mexico, Inst Meteorit, Albuquerque, NM 87131 USA. RP Nishiizumi, K (reprint author), Univ Calif Berkeley, Space Sci Lab, 7 Gauss Way, Berkeley, CA 94720 USA. EM kuni@ssl.berkeley.edu RI Caffee, Marc/K-7025-2015; OI Caffee, Marc/0000-0002-6846-8967; Reedy, Robert/0000-0002-2189-1303 FU NASA [NAG 9-33, NAGW 3514, NAG-512846, NNG06GF22G, NNG06GF66G]; Slovak grant agency [APVV-0569-07]; LLNL [W-7405-ENG-48] FX We wish to thank F. Horz for suggesting 64455 for our study and for valuable discussions. Technical support was furnished by D. Matriano for part of the sample preparation and M. Keogh for setup of the grinding apparatus. We also thank I. Leya, M.N. Rao, and an anonymous reviewer for their valuable comments. This work was supported by NASA grants NAG 9-33, NAGW 3514, NAG-512846, NNG06GF22G, and NNG06GF66G, Slovak grant agency grant APVV-0569-07, and was performed under the auspices of the U.S. D.O.E. by LLNL under contract W-7405-ENG-48. NR 84 TC 25 Z9 26 U1 0 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD APR 1 PY 2009 VL 73 IS 7 BP 2163 EP 2176 DI 10.1016/j.gca.2008.12.021 PG 14 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 423TL UT WOS:000264518500023 ER PT J AU Breshears, DD Whicker, JJ Zou, CB Field, JP Allen, CD AF Breshears, David D. Whicker, Jeffrey J. Zou, Chris B. Field, Jason P. Allen, Craig D. TI A conceptual framework for dryland aeolian sediment transport along the grassland-forest continuum: Effects of woody plant canopy cover and disturbance SO GEOMORPHOLOGY LA English DT Article; Proceedings Paper CT 6th International Conference on Aeolian Research (ICAR VI) CY JUL 24-28, 2006 CL Univ Guelph, Guelph, CANADA HO Univ Guelph DE Aeolian sediment transport; Dust; Wind erosion; Shrubland; Woodland; BSNE ID WIND EROSION; SEMIARID SHRUBLAND; NUTRIENT INPUTS; MOJAVE DESERT; SOIL; DUST; ECOSYSTEMS; VEGETATION; DYNAMICS; CLIMATE AB Aeolian processes are of particular importance in dryland ecosystems where ground cover is inherently sparse because of limited precipitation. Dryland ecosystems include grassland, shrubland, savanna, woodland, and forest, and can be viewed collectively as a continuum of woody plant cover spanning from grasslands with no woody plant cover Lip to forests with nearly complete woody plant cover. Along this continuum, the spacing and shape of woody plants determine the spatial density of roughness elements, which directly affects aeolian sediment transport. Despite the extensiveness of dryland ecosystems, studies of aeolian sediment transport have generally focused on agricultural fields, deserts, or highly disturbed sites where rates of transport are likely to be greatest. Until recently, few measurements have been made of aeolian sediment transport over multiple wind events and across a variety of types of dryland ecosystems. To evaluate potential trends in aeolian sediment transport as a function of woody plant cover, estimates of aeolian sediment transport from recently published studies, in concert with rates from four additional locations (two grassland and two woodland sites), are reported here. The synthesis of these reports leads to the development of a new conceptual framework for aeolian sediment transport in dryland ecosystems along the grassland-forest continuum. The findings suggest that: (1) for relatively undisturbed ecosystems, shrublands have inherently greater aeolian sediment transport because of wake interference flow associated with intermediate levels of density and spacing of woody plants: and (2) for disturbed ecosystems, the upper bound for aeolian sediment transport decreases as a function of increasing amounts of woody plant cover because of the effects of the height and density of the canopy on airflow patterns and ground cover associated with woody plant cover. Consequently, aeolian sediment transport following disturbance spans the largest range of rates in grasslands and associated systems with no woody plants (e.g., agricultural fields), an intermediate range in shrublands, and a relatively small range in woodlands and forests. These trends are consistent with previous observations relating large rates of wind erosion to intermediate values for spatial density of roughness elements. The framework for aeolian sediment transport, which is also relevant to dust fluxes, wind erosion, and related aeolian processes, is applicable to a diverse suite of environmental challenges, including land degradation and desertification, dust storms, contaminant transport, and alterations of the hydrological cycle. (C) 2008 Elsevier B.V. All rights reserved. C1 [Breshears, David D.; Zou, Chris B.; Field, Jason P.] Univ Arizona, Sch Nat Resources, Tucson, AZ 85721 USA. [Breshears, David D.] Univ Arizona, Inst Study Planet Earth, Tucson, AZ 85721 USA. [Breshears, David D.] Univ Arizona, Dept Ecol & Evolutionary Biol, Tucson, AZ 85721 USA. [Whicker, Jeffrey J.] Los Alamos Natl Lab, Hlth Phys Measurements Grp, Los Alamos, NM 87545 USA. [Allen, Craig D.] USGS Jemez Mt Field Stn, Los Alamos, NM 87544 USA. RP Breshears, DD (reprint author), Univ Arizona, Sch Nat Resources, Tucson, AZ 85721 USA. EM daveb@email.arizona.edu RI Breshears, David/B-9318-2009; Zou, Chris/A-5039-2010 OI Breshears, David/0000-0001-6601-0058; Zou, Chris/0000-0003-0080-2866 NR 72 TC 47 Z9 47 U1 0 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-555X J9 GEOMORPHOLOGY JI Geomorphology PD APR 1 PY 2009 VL 105 IS 1-2 BP 28 EP 38 DI 10.1016/j.geomorph.2007.12.018 PG 11 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA 414LZ UT WOS:000263866600004 ER PT J AU Steck, LK Phillips, WS Mackey, K Begnaud, ML Stead, RJ Rowe, CA AF Steck, L. K. Phillips, W. S. Mackey, K. Begnaud, M. L. Stead, R. J. Rowe, C. A. TI Seismic tomography of crustal P and S across Eurasia SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Article DE Body waves; Seismic tomography; Crustal structure; Asia; Europe ID RECEIVER FUNCTION; UPPER-MANTLE; VELOCITY STRUCTURE; WAVE; CONSTRAINTS; REGION; CHINA; INVERSION; PROFILES; BOUNDARY AB In this paper, we present inversion results for regional Pg and Sg phases for the Eurasian continent to explore its use for understanding upper crustal velocity structure. Tomographic inversion of traveltimes from first arriving compressional and shear waves for velocity structure has been applied with great success at all length scales, ranging from the laboratory bench-top to the entire Earth, while inversion of later arriving phases has been much more limited. Our inversion is performed using a damped, smoothed LSQR implementation that solves for site and event terms as well as for velocity along great circle paths between the source and receiver. Results are broadly consistent with published upper crustal velocities for Eurasia, with predominantly high velocities in cratonic regions. Generally, but not always, lower velocities are observed in orogenic and extensional areas and in deep sedimentary basins. A spot-comparison of V-P/V-S from local and regional studies compares well with the ratio of observed Pg to Sg velocities from our study where resolution is high. Resolution is determined through the use of checkerboard tests, and these suggest that in regions where data density is high we can resolve features down to at least 2 degrees, with 4 degrees possible over broader areas. rms residual reductions are on the order of 25 per cent for Sg and 30 per cent for Pg. C1 [Steck, L. K.; Phillips, W. S.; Begnaud, M. L.; Stead, R. J.; Rowe, C. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Mackey, K.] Michigan State Univ, E Lansing, MI 48824 USA. RP Steck, LK (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM lsteck@lanl.gov; mackeyke@msu.edu OI Begnaud, Michael/0000-0002-1491-9451; Rowe, Charlotte/0000-0001-5803-0147 FU United States Department of Energy [DE-AC52-06NA25396] FX We thank the Russian seismic networks in Magadan, Kamchatka, Yakutsk, Irkutsk and Yuzhno Sakhalinsk for generous access to unpublished seismological bulletins. The GMT graphics software package (Wessel & Smith 1991) was used extensively in this work. Two anonymous referees provided helpful comments that improved this manuscript. This research was supported by the United States Department of Energy under contract DE-AC52-06NA25396. This is Los Alamos National Laboratory publication release number LA-UR-08-04628. NR 40 TC 10 Z9 10 U1 0 U2 4 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0956-540X EI 1365-246X J9 GEOPHYS J INT JI Geophys. J. Int. PD APR PY 2009 VL 177 IS 1 BP 81 EP 92 DI 10.1111/j.1365-246X.2009.04109.x PG 12 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 417IS UT WOS:000264070300007 ER PT J AU Myers, SC Johannesson, G Hanley, W AF Myers, Stephen C. Johannesson, Gardar Hanley, William TI Incorporation of probabilistic seismic phase labels into a Bayesian multiple-event seismic locator SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Article DE Earthquake source observations; Seismic monitoring and test-ban treaty verification; Seismicity and tectonics; Statistical seismology ID IDENTIFICATION AB We add probabilistic phase labels to the multiple-event joint probability function of Myers et al. that formerly included event locations, traveltime corrections and arrival-time measurement precision. Prior information on any of the multiple-event parameters may be used. The phase-label model includes a null label that captures phases not belonging to the collection of phases under consideration. Using the Markov-Chain Monte Carlo method, samples are drawn from the multiple-event joint probability function to infer the posteriori distribution that is consistent with priors and the arrival-time data set. Using this approach phase-label error can be accessed and phase-label error is propagated to all other multiple-event parameters. We test the method using a ground-truth data set of nuclear explosions at the Nevada Test Site. We find that posteriori phase labels agree with the meticulously analysed data set in more than 97 per cent of instances and the results are robust even when the input phase-label information is discarded. Only when a large percentage of the arrival-time data are corrupted does prior phase label information improve resolution of multiple-event parameters. Simultaneous modelling of the entire multiple-event system results in accurate posteriori probability regions for each multiple-event parameter. C1 [Myers, Stephen C.] Lawrence Livermore Natl Lab, Atmospher Earth & Energy Dept, Livermore, CA 94551 USA. RP Myers, SC (reprint author), Lawrence Livermore Natl Lab, Atmospher Earth & Energy Dept, POB 808,L-205,7000 East Ave, Livermore, CA 94551 USA. EM smyers@llnl.gov RI Myers, Stephen/K-1368-2014 OI Myers, Stephen/0000-0002-0315-5599 FU Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The authors have benefited from numerous conversations with Bill Rodi. We also thank Anthony Lomax and an anonymous reviewer for their comments. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 21 TC 14 Z9 14 U1 0 U2 5 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0956-540X J9 GEOPHYS J INT JI Geophys. J. Int. PD APR PY 2009 VL 177 IS 1 BP 193 EP 204 DI 10.1111/j.1365-246X.2008.04070.x PG 12 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 417IS UT WOS:000264070300016 ER PT J AU Stefanovsky, SV Shiryaev, AA Zubavitchus, JV Veligjanin, AA Marra, JC AF Stefanovsky, S. V. Shiryaev, A. A. Zubavitchus, J. V. Veligjanin, A. A. Marra, J. C. TI Valence state and speciation of uranium ions in borosilicate glasses with a high iron and aluminum content SO GLASS PHYSICS AND CHEMISTRY LA English DT Article ID WASTE; IMMOBILIZATION AB The valence state and the local environment of uranium ions in borosilicate glasses intended for immobilizing high-level wastes with high concentrations of iron and aluminum ions are investigated using X-ray absorption (XANES, EXAFS) spectroscopy. It is demonstrated that, in glasses predominantly containing iron oxides, at least 80% of the total uranium exists in a hexavalent form as uranyl ions. In high-alumina glasses, uranium is in hexavalent and pentavalent states; in this case, the fraction of the latter form increases with an increase of the uranium concentration and its local environment is similar to the configuration of an axially distorted tetrahedron. C1 [Shiryaev, A. A.] Russian Acad Sci, AV Shubnikov Crystallog Inst, Moscow 119333, Russia. [Stefanovsky, S. V.] State Unitary Enterprise City Moscow United Ecol, Moscow 119121, Russia. [Zubavitchus, J. V.; Veligjanin, A. A.] Kurchatov Inst, Russian Res Ctr, Moscow 123182, Russia. [Marra, J. C.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Stefanovsky, SV (reprint author), State Unitary Enterprise City Moscow United Ecol, Sedmoi Rostovskii Per 2-14, Moscow 119121, Russia. EM profstef@mtu-net.ru RI Shiryaev, Andrei/F-7643-2012; Zubavichus, Yan/A-3418-2014 OI Zubavichus, Yan/0000-0003-2266-8944 FU Department of Energy of the United States; Russian Science Support Foundation and the Council [MK. 2007.147.5] FX This study was supported by the Department of Energy of the United States (project "Maximizing Waste Loading for Application to Savannah River High-Level Waste") and in part by the Russian Science Support Foundation and the Council on Grants from the President of the Russian Federation (project no. MK. 2007.147.5) (AASh). NR 24 TC 5 Z9 6 U1 1 U2 14 PU MAIK NAUKA/INTERPERIODICA/SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA SN 1087-6596 J9 GLASS PHYS CHEM+ JI Glass Phys. Chem. PD APR PY 2009 VL 35 IS 2 BP 141 EP 148 DI 10.1134/S1087659609020035 PG 8 WC Materials Science, Ceramics SC Materials Science GA 442HT UT WOS:000265833000003 ER PT J AU Antoninka, A Wolf, JE Bowker, M Classen, AT Johnson, NC AF Antoninka, Anita Wolf, Julie E. Bowker, Matthew Classen, Aimee T. Johnson, Nancy Collins TI Linking above- and belowground responses to global change at community and ecosystem scales SO GLOBAL CHANGE BIOLOGY LA English DT Article DE arbuscular mycorrhizal fungi; CO(2) enrichment; community composition; ecosystem responses; grassland; nitrogen enrichment; soil communities; soil organic matter; structural equation model ID ARBUSCULAR MYCORRHIZAL FUNGI; DARK SEPTATE ENDOPHYTES; ATMOSPHERIC CO2; CLIMATE-CHANGE; MICROBIAL COMMUNITIES; NITROGEN LIMITATION; INFLUENCE PLANT; CARBON-DIOXIDE; SALSOLA-KALI; ELEVATED CO2 AB Cryptic belowground organisms are difficult to observe and their responses to global changes are not well understood. Nevertheless, there is reason to believe that interactions among above- and belowground communities may mediate ecosystem responses to global change. We used grassland mesocosms to manipulate the abundance of one important group of soil organisms, arbuscular mycorrhizal (AM) fungi, and to study community and ecosystem responses to CO(2) and N enrichment. Responses of plants, AM fungi, phospholipid fatty acids and community-level physiological profiles were measured after two growing seasons. Ecosystem responses were examined by measuring net primary production (NPP), evapotranspiration, total soil organic matter (SOM), and extractable mineral N. Structural equation modeling was used to examine the causal relationships among treatments and response variables. We found that while CO(2) and N tended to directly impact ecosystem functions (evapotranspiration and NPP, respectively), AM fungi indirectly impacted ecosystem functions by influencing the community composition of plants and other root fungi, soil fungi and soil bacteria. We found that the mycotrophic status of the dominant plant species in the mesocosms determined whether the presence of AM fungi increased or decreased NPP. Mycotrophic grasses dominated the mesocosm communities during the first growing season, and the mycorrhizal treatments had the highest NPP. In contrast, nonmycotrophic forbs were dominant during the second growing season and the mycorrhizal treatments had the lowest NPP. The composition of the plant community strongly influenced soil N, and the community composition of soil organisms strongly influenced SOM accumulation in the mesocosms. These results show how linkages between above- and belowground communities can determine ecosystem responses to global change. C1 [Antoninka, Anita; Wolf, Julie E.; Bowker, Matthew; Classen, Aimee T.; Johnson, Nancy Collins] No Arizona Univ, Flagstaff, AZ 86011 USA. [Wolf, Julie E.] USDA, Dept Mycol, Beltsville, MD 20705 USA. [Classen, Aimee T.] Oak Ridge Labs, Div Environm Sci, Oak Ridge, TN 37831 USA. [Classen, Aimee T.] Univ Tennessee, Dept Ecol & Evolutionary Biol, Knoxville, TN 37996 USA. [Wolf, Julie E.] USDA, Microbiol Lab, Beltsville, MD 20705 USA. RP Antoninka, A (reprint author), No Arizona Univ, Flagstaff, AZ 86011 USA. EM aja6@nau.edu RI Classen, Aimee/C-4035-2008; wolf, julie/I-6829-2012 OI Classen, Aimee/0000-0002-6741-3470; wolf, julie/0000-0002-1437-982X FU National Science Foundation [DEB-0316136, DEB-9806529]; Office of Science (BER), U.S. Department of Energy [DE-FG02-02ER63366] FX This research was funded by National Science Foundation grants to NCJ: DEB-0316136, DEB-9806529. A.T. Classen was supported in part by the Office of Science (BER), U.S. Department of Energy, grant no. DE-FG02-02ER63366. We gratefully acknowledge laboratory and greenhouse assistance from Brad Blake, Kyle Nelson, Gene Drollinger and Jennie DeMarco, and technical assistance from George Koch and J. Adam Langley. We thank Pal Axel Olsson and the department of Microbial Ecology at Lund University, Sweden, for assistance with the PLFA analyses, and Stephen Hart's laboratory at NAU for assistance with the CLPP analyses. NR 73 TC 37 Z9 38 U1 4 U2 106 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1354-1013 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD APR PY 2009 VL 15 IS 4 BP 914 EP 929 DI 10.1111/j.1365-2486.2008.01760.x PG 16 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 412VM UT WOS:000263752300012 ER PT J AU Villalpando, SN Williams, RS Norby, RJ AF Villalpando, Shawn N. Williams, Ray S. Norby, Richard J. TI Elevated air temperature alters an old-field insect community in a multifactor climate change experiment SO GLOBAL CHANGE BIOLOGY LA English DT Article DE climate change; diversity and warming; insect communities; trophic structure; warming and CO(2) ID EXPERIMENTAL CO2 ENRICHMENT; ATMOSPHERIC CO2; HERBIVORE INTERACTIONS; SPECIES COMPOSITION; WATER AVAILABILITY; FUNCTIONAL-GROUPS; CARBON-DIOXIDE; PLANT; FOREST; ECOSYSTEM AB To address how multiple, interacting climate drivers may affect plant-insect community associations, we sampled insects that naturally colonized a constructed old-field plant community grown for over 2 years under simultaneous CO(2), temperature, and water manipulation. Insects were sampled using a combination of sticky traps and vacuum sampling, identified to morphospecies and the insect community with respect to abundance, richness, and evenness quantified. Individuals were assigned to four broad feeding guilds in order to examine potential trophic level effects. Although there were occasional effects of CO(2) and water treatment, the effects of warming on the insect community were large and consistent. Warming significantly increased Order Thysanoptera abundance and reduced overall morphospecies richness and evenness. Nonmetric multidimensional scaling found that only temperature affected insect community composition, while a Sorensen similarity index showed less correspondence in the insect community between temperature treatments compared with CO(2) or soil water treatments. Within the herbivore guild, elevated temperature significantly reduced richness and evenness. Corresponding reductions of diversity measures at higher trophic levels (i.e. parasitoids), along with the finding that herbivore richness was a significant predictor of parasitoid richness, suggest trophic-level effects within the insect community. When the most abundant species were considered in temperature treatments, a small number of species increased in abundance at elevated temperature, while others declined compared with ambient temperature. Effects of temperature in the dominant insects demonstrated that treatment effects were limited to a relatively small number of morphospecies. Observed effects of elevated CO(2) concentration on whole-community foliar N concentration did not result in any effect on herbivores, which are probably the most susceptible guild to changes in plant nutritional quality. These results demonstrate that climatic warming may alter certain insect communities via effects on insect species most responsive to a higher temperature, contributing to a change in community structure. C1 [Villalpando, Shawn N.; Williams, Ray S.] Appalachian State Univ, Dept Biol, Boone, NC 28608 USA. [Norby, Richard J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Williams, RS (reprint author), Appalachian State Univ, Dept Biol, POB 32027, Boone, NC 28608 USA. EM willmsrs@appstate.edu RI Norby, Richard/C-1773-2012 OI Norby, Richard/0000-0002-0238-9828 FU U.S. Department of Energy, Office of Science, Biological and Environmental Research Program [DE-AC05-00OR22725] FX We thank the staff of the ORNL Environmental Sciences Division for their support. We greatfully acknowledge the contributions of Dr Jake Weltzin to the design, implementation and data analysis phases of the experiment. Special appreciation goes to Cayenne Engel and Bryan Marbert for field site assistance, and both Nathan Sanders and Greg Crutsinger for their help with the NMS and anosim analyses. The Cratis Williams Graduate School and Office of Student Research at Appalachian State University provided financial support. The authors also gratefully acknowledge the useful comments of anonymous reviewers. This project was part of the OCCAM experiment at Oak Ridge National Laboratory, which is supported by the U.S. Department of Energy, Office of Science, Biological and Environmental Research Program under contract DE-AC05-00OR22725 with Oak Ridge National Laboratory (ORNL), managed by UT-Battelle, LLC. NR 52 TC 24 Z9 28 U1 3 U2 49 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1354-1013 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD APR PY 2009 VL 15 IS 4 BP 930 EP 942 DI 10.1111/j.1365-2486.2008.01721.x PG 13 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 412VM UT WOS:000263752300013 ER PT J AU Gaudinski, JB Torn, MS Riley, WJ Swanston, C Trumbore, SE Joslin, JD Majdi, H Dawson, TE Hanson, PJ AF Gaudinski, J. B. Torn, M. S. Riley, W. J. Swanston, C. Trumbore, S. E. Joslin, J. D. Majdi, H. Dawson, T. E. Hanson, P. J. TI Use of stored carbon reserves in growth of temperate tree roots and leaf buds: analyses using radiocarbon measurements and modeling SO GLOBAL CHANGE BIOLOGY LA English DT Article DE (14)C; carbon cycling; carbon isotope; carbon reserves; fine-root turnover time; mean age of carbon; radiocarbon; stored carbon ID SOIL RESPIRATION; PARTITIONING SOURCES; EASTERN AMAZONIA; HARDWOOD FOREST; BOREAL FOREST; C-14; TURNOVER; DYNAMICS; ENRICHMENT; ALLOCATION AB Characterizing the use of carbon (C) reserves in trees is important for understanding regional and global C cycles, stress responses, asynchrony between photosynthetic activity and growth demand, and isotopic exchanges in studies of tree physiology and ecosystem C cycling. Using an inadvertent, whole-ecosystem radiocarbon ((14)C) release in a temperate deciduous oak forest and numerical modeling, we estimated that the mean age of stored C used to grow both leaf buds and new roots is 0.7 years and about 55% of new-root growth annually comes from stored C. Therefore, the calculated mean age of C used to grow new-root tissue is similar to 0.4 years. In short, new roots contain a lot of stored C but it is young in age. Additionally, the type of structure used to model stored C input is important. Model structures that did not include storage, or that assumed stored and new C mixed well (within root or shoot tissues) before being used for root growth, did not fit the data nearly as well as when a distinct storage pool was used. Consistent with these whole-ecosystem labeling results, the mean age of C in new-root tissues determined using 'bomb-(14)C' in three additional forest sites in North America and Europe (one deciduous, two coniferous) was less than 1-2 years. The effect of stored reserves on estimated ages of fine roots is unlikely to be large in most natural abundance isotope studies. However, models of root C dynamics should take stored reserves into account, particularly for pulse-labeling studies and fast-cycling roots (< 1 years). C1 [Gaudinski, J. B.; Torn, M. S.; Riley, W. J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Gaudinski, J. B.] Univ Calif Santa Cruz, Dept Environm Studies, Santa Cruz, CA 95064 USA. [Gaudinski, J. B.; Dawson, T. E.] Univ Calif Berkeley, Dept Integrat Biol, Berkeley, CA 94720 USA. [Swanston, C.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. [Trumbore, S. E.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA USA. [Joslin, J. D.] Belowground Forest Res, Santa Elena De Monteverd, Puntarenas, Costa Rica. [Majdi, H.] Swedish Univ Agr Sci, Dept Ecol, Uppsala, Sweden. [Hanson, P. J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Gaudinski, JB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM mstorn@lbl.gov RI Hanson, Paul J./D-8069-2011; Trumbore, Susan/B-1948-2013; Riley, William/D-3345-2015; Torn, Margaret/D-2305-2015 OI Hanson, Paul J./0000-0001-7293-3561; Riley, William/0000-0002-4615-2304; FU Office of Science, U.S. Department of Energy [DE-AC03-76SF00098] FX We would like to thank Don Todd, Kathleen Savage, Heather Cooley, Anders Walin, and Bertil Andersson for assistance in the field; Jessica Westbrook, Deborah Williard, John Southon, and Rachel Porras for help in the laboratory. Julia Gaudinski thanks Weixin Cheng for mentorship and laboratory support throughout this research. This work was supported by the Office of Science, U.S. Department of Energy under Contract No. DE-AC03-76SF00098. Funding for the EBIS project was provided by the U.S. Department of Energy, Office of Science, Biological and Environmental Research, as part of the Terrestrial Carbon Processes Program. NR 57 TC 48 Z9 50 U1 6 U2 46 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1354-1013 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD APR PY 2009 VL 15 IS 4 BP 992 EP 1014 DI 10.1111/j.1365-2486.2008.01736.x PG 23 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 412VM UT WOS:000263752300018 ER PT J AU Walsh, ME AF Walsh, Marie E. TI Biomass - The Other Energy Source SO HARVARD BUSINESS REVIEW LA English DT Article AB Prairie grasses, forestry and mill residues, nongrain parts of food crops, and urban wood wastes all could become a huge source of renewable energy. Reprint F0904E C1 [Walsh, Marie E.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Walsh, Marie E.] Univ Tennessee, Dept Agr Econ, Knoxville, TN 37996 USA. RP Walsh, ME (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM m.e.biomass@comcast.net NR 0 TC 0 Z9 0 U1 0 U2 7 PU HARVARD BUSINESS SCHOOL PUBLISHING CORPORATION PI WATERTOWN PA 300 NORTH BEACON STREET, WATERTOWN, MA 02472 USA SN 0017-8012 J9 HARVARD BUS REV JI Harv. Bus. Rev. PD APR PY 2009 VL 87 IS 4 BP 21 EP + PG 95 WC Business; Management SC Business & Economics GA 423UA UT WOS:000264520000006 ER PT J AU Lewin, SR Ribeiro, RM Avihingsanon, A Bowden, S Matthews, G Marks, P Locarnini, SA Ruxrungtham, K Perelson, AS Dore, GJ AF Lewin, Sharon R. Ribeiro, Ruy M. Avihingsanon, Anchalee Bowden, Scott Matthews, Gail Marks, Pip Locarnini, Stephen A. Ruxrungtham, Kiat Perelson, Alan S. Dore, Gregory J. TI Viral Dynamics of Hepatitis B Virus DNA in Human Immunodeficiency Virus-1-Hepatitis B Virus Coinfected Individuals: Similar Effectiveness of Lamivudine, Tenofovir, or Combination Therapy SO HEPATOLOGY LA English DT Article ID CO-INFECTED INDIVIDUALS; ACTIVE ANTIRETROVIRAL THERAPY; ADEFOVIR DIPIVOXIL THERAPY; T-CELL RESPONSES; DISOPROXIL FUMARATE; ANTIVIRAL THERAPY; NEGATIVE PATIENTS; IMMUNE-RESPONSE; HBV; EFFICACY AB Following treatment of hepatitis B virus (HBV) infection with nucleos(t)ide reverse transcriptase inhibitors (NRTIs), there is a biphasic clearance of HBV, similar to that seen following treatment of human immunodeficiency virus-1 (HIV-1) and hepatitis C virus. Little is known about the impact of combination NRTIs and HIV-1 coinfection on HBV viral kinetic parameters following the initiation of HBV-active highly active antiretroviral therapy (HAART). HIV-1-HBVcoinfected patients (n = 21) were enrolled in a viral kinetics substudy of the Tenofovir in HIV-1-HBV Coinfection study (TICO). TICO was a randomized (1:1:1) trial of tenofovir disoproxil fumarate (TDF, 300 mg) versus lamivudine (LMV, 300 mg) versus TDF/LMV within an efavirenz based HAART regimen initiated in HIV-1-HBV coinfected antiretroviral naive individuals in Thailand. HBV DNA was measured frequently over the first 56 days. To fit the viral load data, we used a model of HBV kinetics that allows the estimation of treatment effectiveness, viral clearance and infected cell loss. We observed a biphasic decline in HBV DNA in almost all patients. We did not observe any significant differences in HBV viral dynamic parameters between the three treatments groups. Overall, median (interquartile range) HBV treatment effectiveness was 98% (95%-99%), median HBV virion half-life was 1.2 days (0.5-1.4 days), and median infected cell half-life was 7.9 days (6.3-11.0 days). When we compared hepatitis B e antigen (HBeAg)positive and HBeAg-negative individuals, we found a significantly longer infected cell half-life in HBeAg-positive individuals (6.2 versus 9.0 days, P = 0.02). Conclusion: HBV viral dynamic parameters are similar following anti-HBV NRTI monotherapy and dual combination therapy in the setting of HIV-1-HBV coinfection. HIV-1 coinfection has minimal effect on HBV viral dynamics, even in the setting of advanced HIV-1-related immunosuppression. (HEPATOLOGY 2009;49:1113-1121.) C1 [Lewin, Sharon R.] Alfred Hosp, Infect Dis Unit, Melbourne, Vic 3004, Australia. [Lewin, Sharon R.] Monash Univ, Melbourne, Vic 3004, Australia. [Ribeiro, Ruy M.; Perelson, Alan S.] Los Alamos Natl Lab, Los Alamos, NM USA. [Avihingsanon, Anchalee; Ruxrungtham, Kiat] Thai Red Cross Bangkok, HIVNetherlands Australia Thailand Res Collaborat, Bangkok, Thailand. [Bowden, Scott; Locarnini, Stephen A.] Victorian Infect Dis Reference Lab, Melbourne, Vic, Australia. [Matthews, Gail; Marks, Pip; Dore, Gregory J.] Univ New S Wales, Natl Ctr HIV Epidemiol & Clin Res, Sydney, NSW, Australia. [Ruxrungtham, Kiat] Chulalongkorn Univ, Fac Med, Bangkok 10330, Thailand. RP Lewin, SR (reprint author), Alfred Hosp, Infect Dis Unit, Level 2,Burnet Bldg,80 Commercial Rd, Melbourne, Vic 3004, Australia. EM s.lewin@alfred.org.au OI Lewin, Sharon Ruth/0000-0002-0330-8241 FU NCRR NIH HHS [P20 RR018754, P20-RR18754, R01 RR006555, R01-RR06555]; NIAID NIH HHS [R37 AI028433, R01 AI028433, R01 AI028433-10, R21 AI055379, R21 AI055379-01 A1, R37-AI28433]; NIH HHS [R01 OD011095] NR 48 TC 12 Z9 13 U1 0 U2 0 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0270-9139 J9 HEPATOLOGY JI Hepatology PD APR PY 2009 VL 49 IS 4 BP 1113 EP 1121 DI 10.1002/hep.22754 PG 9 WC Gastroenterology & Hepatology SC Gastroenterology & Hepatology GA 428PV UT WOS:000264862100008 PM 19115219 ER PT J AU Weber, GH Rubel, O Huang, MY DePace, AH Fowlkes, CC Keranen, SVE Hendriks, CLL Hagen, H Knowles, DW Malik, J Biggin, MD Hamann, B AF Weber, Gunther H. Ruebel, Oliver Huang, Min-Yu DePace, Angela H. Fowlkes, Charless C. Keranen, Soile V. E. Hendriks, Cris L. Luengo Hagen, Hans Knowles, David W. Malik, Jitendra Biggin, Mark D. Hamann, Bernd TI Visual Exploration of Three-Dimensional Gene Expression Using Physical Views and Linked Abstract Views SO IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS LA English DT Article; Proceedings Paper CT 4th International Symposium on Bioinformatics Research and Applications CY MAY 06-09, 2008 CL Georgia State Univ, Atlanta, GA HO Georgia State Univ DE Interactive data exploration; three-dimensional gene expression; spatial expression patterns; information visualization; visualization; physical views; multiple linked views; brushing; scatter plots ID DROSOPHILA AB During animal development, complex patterns of gene expression provide positional information within the embryo. To better understand the underlying gene regulatory networks, the Berkeley Drosophila Transcription Network Project (BDTNP) has developed methods that support quantitative computational analysis of three-dimensional (3D) gene expression in early Drosophila embryos at cellular resolution. We introduce PointCloudXplore (PCX), an interactive visualization tool that supports visual exploration of relationships between different genes' expression using a combination of established visualization techniques. Two aspects of gene expression are of particular interest: 1) gene expression patterns defined by the spatial locations of cells expressing a gene and 2) relationships between the expression levels of multiple genes. PCX provides users with two corresponding classes of data views: 1) Physical Views based on the spatial relationships of cells in the embryo and 2) Abstract Views that discard spatial information and plot expression levels of multiple genes with respect to each other. Cell Selectors highlight data associated with subsets of embryo cells within a View. Using linking, these selected cells can be viewed in multiple representations. We describe PCX as a 3D gene expression visualization tool and provide examples of how it has been used by BDTNP biologists to generate new hypotheses. C1 [Weber, Gunther H.; Keranen, Soile V. E.; Knowles, David W.; Biggin, Mark D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Ruebel, Oliver] Univ Kaiserslautern, Dept Comp Sci, IRTG, D-67653 Kaiserslautern, Germany. [Huang, Min-Yu; Hamann, Bernd] Univ Calif Davis, Inst Data Anal & Visualizat, Davis, CA 95616 USA. [Huang, Min-Yu; Hamann, Bernd] Univ Calif Davis, Dept Comp Sci, Davis, CA 95616 USA. [DePace, Angela H.] Harvard Univ, Sch Med, Dept Syst Biol, Boston, MA 02115 USA. [Fowlkes, Charless C.] Univ Calif Irvine, Donald Bren Sch Informat & Comp Sci, Dept Comp Sci, Irvine, CA 92697 USA. [Hendriks, Cris L. Luengo] Uppsala Univ, Ctr Image Anal, SE-75105 Uppsala, Sweden. [Malik, Jitendra] Univ Calif Berkeley, Div Comp Sci, Berkeley, CA 94720 USA. RP Weber, GH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM GHWeber@lbl.gov; ruebel@informatik.uni-kl.de; myhuang@ucdavis.edu; Angela_DePace@hms.harvard.edu; fowlkes@ics.uci.edu; SVEKeranen@lbl.gov; cris@cb.uu.se; hagen@informatik.uni-kl.de; DWKnowles@lbl.gov; malik@eecs.berkeley.edu; MDBiggin@lbl.gov; hamann@cs.ucdavis.edu RI Luengo Hendriks, Cris L./B-1097-2008; OI Luengo Hendriks, Cris L./0000-0002-8279-1760; Weber, Gunther/0000-0002-1794-1398 FU NIGMS NIH HHS [R01 GM070444-04, R01 GM070444, GM70444] NR 17 TC 16 Z9 16 U1 0 U2 1 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1545-5963 EI 1557-9964 J9 IEEE ACM T COMPUT BI JI IEEE-ACM Trans. Comput. Biol. Bioinform. PD APR-JUN PY 2009 VL 6 IS 2 BP 296 EP 309 DI 10.1109/TCBB.2007.70249 PG 14 WC Biochemical Research Methods; Computer Science, Interdisciplinary Applications; Mathematics, Interdisciplinary Applications; Statistics & Probability SC Biochemistry & Molecular Biology; Computer Science; Mathematics GA 438FC UT WOS:000265540300012 PM 19407353 ER PT J AU Choi, HY Diehl, L Wu, ZK Giovannini, M Faist, J Capasso, F Norris, TB AF Choi, Hyunyong Diehl, Laurent Wu, Zong-Kwei Giovannini, Marcella Faist, Jerome Capasso, Federico Norris, Theodore B. TI Time-Resolved Investigations of Electronic Transport Dynamics in Quantum Cascade Lasers Based on Diagonal Lasing Transition SO IEEE JOURNAL OF QUANTUM ELECTRONICS LA English DT Article DE Carrier dynamics; electronic transport; midinfrared (mid-IR); quantum cascade laser (QCL); time-resolved ID WELL DIODE-LASERS; SEMICONDUCTOR SUPERLATTICES; FREQUENCY; PLASMA; GAIN; RELAXATION; EMISSION; FIELDS AB In this study, the nature of electronic transport in quantum cascade lasers (QCLs) has been extensively investigated using an ultrafast time-resolved, degenerate, pump-probe optical technique. Our investigations enable a comprehensive understanding of the gain recovery dynamics in terms of a coupling of the electronic transport to the oscillating intracavity laser intensity. In QCLs that have a lasing transition diagonal in real space, studies of the near-threshold reveal that the transport of electrons changes bias region from phonon-limited relaxation (tens of picoseconds) below threshold to photon-driven transport via stimulated emission (a few picoseconds) above threshold. The gain recovery dynamics in the photon-driven regime is compared with conventional four-level lasers such as atomic, molecular, and semiconductor interband lasers. The depopulation dynamics out of the lower lasing state is explained using a tight-binding tunneling model and phonon-limited relaxation. For the superlattice relaxation, it is possible to explain the characteristic picosecond transport via dielectric relaxation; Monte Carlo simulations with a simple resistor model are developed, and the Esaki-Tsu model is applied. Subpicosecond dynamics due to carrier heating in the upper subband are isolated and appear to be at most about 10% of the gain compression compared with the contribution of stimulated emission. Finally, the polarization anisotropy in the active waveguide is experimentally shown to be negligible on our pump-probe data, supporting our interpretation of data in terms of gain recovery and transport. C1 [Choi, Hyunyong; Wu, Zong-Kwei; Norris, Theodore B.] Univ Michigan, Dept Elect Engn & Comp Sci, Ctr Ultrafast Opt Sci, Ann Arbor, MI 48109 USA. [Diehl, Laurent; Capasso, Federico] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Giovannini, Marcella; Faist, Jerome] Univ Neuchatel, Inst Phys, CH-2000 Neuchatel, Switzerland. RP Choi, HY (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM hychoi@lbl.gov; ldiehl@seas.harvard.edu; zjw@eecs.umich.edu; jerome.faist@phys.ethz.ch; capasso@deas.harvard.edu; tnorris@eecs.umich.edu RI Faist, Jerome/A-7339-2013 OI Faist, Jerome/0000-0003-4429-7988 FU U.S. Army Research Office FX This work was supported by the U.S. Army Research Office. NR 49 TC 14 Z9 14 U1 0 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9197 J9 IEEE J QUANTUM ELECT JI IEEE J. Quantum Electron. PD APR PY 2009 VL 45 IS 4 BP 307 EP 321 DI 10.1109/JQE.2009.2013091 PG 15 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA 422ET UT WOS:000264410900001 ER PT J AU Vrugt, JA Robinson, BA Hyman, JM AF Vrugt, Jasper A. Robinson, Bruce A. Hyman, James M. TI Self-Adaptive Multimethod Search for Global Optimization in Real-Parameter Spaces SO IEEE TRANSACTIONS ON EVOLUTIONARY COMPUTATION LA English DT Article DE Adaptive estimation; elitism; genetic algorithms; nonlinear estimation; optimization ID EVOLUTION STRATEGY; ALGORITHM; ADAPTATION AB Many different algorithms have been developed in the last few decades for solving complex real-world search and optimization problems. The main focus in this research has been on the development of a single universal genetic operator for population evolution that is always efficient for a diverse set of optimization problems. In this paper, we argue that significant advances to the field of evolutionary computation can be made if we embrace a concept of self-adaptive multimethod optimization in which multiple different search algorithms are run concurrently, and learn from each other through information, exchange using a common population of points. We present an evolutionary algorithm, entitled A Multialgorithm Genetically Adaptive Method for Single Objective Optimization (AMALGAM-SO), that implements this concept of self adaptive multimethod search. This method simultaneously merges the strengths of the covariance matrix adaptation (CMA) evolution strategy, genetic algorithm (GA), and particle swarm optimizer (PSO) for population evolution and implements a self-adaptive learning strategy to automatically tune the number of offspring these three individual algorithms are allowed to contribute during each generation. Benchmark results in 10, 30, and 50 dimensions using synthetic functions from the special session on real-parameter optimization of CEC 2005 show that AMALGAM-SO obtains similar efficiencies as existing algorithms on relatively simple unimodal problems, but is superior for more complex higher dimensional multimodal optimization problems. The new search method scales well with increasing number of dimensions, converges in the close proximity of the global minimum for functions with noise induced multimodality, and is designed to take full advantage of the power of distributed computer networks. C1 [Vrugt, Jasper A.; Robinson, Bruce A.; Hyman, James M.] LANL, CNLS, Los Alamos, NM 87545 USA. RP Vrugt, JA (reprint author), LANL, CNLS, Los Alamos, NM 87545 USA. EM vrugt@lanl.gov; robinson@lanl.gov; hyman@lanl.gov RI Vrugt, Jasper/C-3660-2008; Robinson, Bruce/F-6031-2010 FU Los Alamos National Laboratory Postdoctoral Program FX The work of J.A. Vrugt was supported by a J. Robert Oppenheimer Fellowship from the Los Alamos National Laboratory Postdoctoral Program. NR 44 TC 148 Z9 152 U1 3 U2 42 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1089-778X EI 1941-0026 J9 IEEE T EVOLUT COMPUT JI IEEE Trans. Evol. Comput. PD APR PY 2009 VL 13 IS 2 BP 243 EP 259 DI 10.1109/TEVC.2008.924428 PG 17 WC Computer Science, Artificial Intelligence; Computer Science, Theory & Methods SC Computer Science GA 431VI UT WOS:000265091900004 ER PT J AU White, D AF White, Daniel TI Nonphysical Reverse Currents in Transient Finite-Element Magnetics Simulation SO IEEE TRANSACTIONS ON MAGNETICS LA English DT Article DE Current distribution; eddy currents; finite-element analysis; transient analysis ID EDDY-CURRENT PROBLEMS; FORMULATION; DIFFUSION; MODEL; DISCRETIZATION; CONDUCTORS AB We are concerned with the simulation of low-frequency transient magnetic fields and currents in conductors as modeled by the vector diffusion equation. In particular, the key topic of this paper is the diffusion of fields and currents into a conductor due to a rapidly varying magnetic field in the surrounding air. As an example, an explosive magnetic flux compression generator may be designed to produce an exponentially increasing magnetic field in the in the air gap between armature and stator. As a second example, in a standard railgun the motion of the armature causes a rapidly increasing magnetic field in the air ahead of the armature, inducing currents in the rails ahead of the armature. It has been observed that for these types of transient magnetics problems finite-element simulations can produce nonphysical "reverse currents" in conductors, currents that are flowing in the wrong direction. In this paper the root cause of these nonphysical reverse currents is explained, and several mitigation strategies are discussed. C1 Lawrence Livermore Natl Lab, Engn Technol Div, Livermore, CA 94551 USA. RP White, D (reprint author), Lawrence Livermore Natl Lab, Engn Technol Div, Livermore, CA 94551 USA. EM white37@llnl.gov FU University of California, Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the U.S. Department of Energy by the University of California, Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 31 TC 0 Z9 0 U1 1 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9464 J9 IEEE T MAGN JI IEEE Trans. Magn. PD APR PY 2009 VL 45 IS 4 BP 1973 EP 1989 DI 10.1109/TMAG.2008.2011133 PG 17 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 425IO UT WOS:000264630400008 ER PT J AU Zhang, K Tsang, IW Kwok, JT AF Zhang, Kai Tsang, Ivor W. Kwok, James T. TI Maximum Margin Clustering Made Practical SO IEEE TRANSACTIONS ON NEURAL NETWORKS LA English DT Article DE Large margin methods; maximum margin clustering (MMC); scalability; unsupervised learning AB Motivated by the success of large margin methods in supervised learning, maximum margin clustering (MMC) is a recent approach that aims at extending large margin methods to unsupervised learning. However, its optimization problem is nonconvex and existing MMC methods all rely on reformulating and relaxing the nonconvex optimization problem as semidefinite programs (SDP). Though SDP is convex and standard solvers are available, they are computationally very expensive and only small data sets can be handled. To make MMC more practical, we avoid SDP relaxations and propose in this paper an efficient approach that performs alternating optimization directly on the original nonconvex problem. A key step to avoid premature convergence in the resultant iterative procedure is to change the loss function from the hinge loss to the Laplacian/square loss so that overconfident predictions are penalized. Experiments on a number of synthetic and real-world data sets demonstrate that the proposed approach is more accurate, much faster (hundreds to tens of thousands of times faster), and can handle data sets that are hundreds of times larger than the largest data set reported in the MMC literature. C1 [Kwok, James T.] Hong Kong Univ Sci & Technol, Dept Comp Sci & Engn, Kowloon, Hong Kong, Peoples R China. RP Zhang, K (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. EM kai_zhang@lbl.gov; ivortsang@ntu.edu; jamesk@cse.ust.hk RI Tsang, Ivor/E-8653-2011; OI Tsang, Ivor/0000-0003-2211-8176; Tsang, Ivor/0000-0001-8095-4637 FU Hong Kong Special Administrative Region FX Manuscript received January 13, 2008; revised May 19, 2008 and August 04, 2008; accepted October 31, 2008. First published March 06, 2009; current version published April 03, 2009. This work was supported in part by the Research Grants Council of the Hong Kong Special Administrative Region. NR 44 TC 44 Z9 46 U1 1 U2 10 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 1045-9227 J9 IEEE T NEURAL NETWOR JI IEEE Trans. Neural Netw. PD APR PY 2009 VL 20 IS 4 BP 583 EP 596 DI 10.1109/TNN.2008.2010620 PG 14 WC Computer Science, Artificial Intelligence; Computer Science, Hardware & Architecture; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA 435XI UT WOS:000265376200003 PM 19273048 ER PT J AU Arutinov, D Barbero, M Beccherle, R Buscher, V Darbo, G Ely, R Fougeron, D Garcia-Sciveres, M Gnani, D Hemperek, T Karagounis, M Kluit, R Kostyukhin, V Mekkaoui, A Menouni, M Schipper, JD Wermes, N AF Arutinov, David Barbero, Marlon Beccherle, Roberto Buescher, Volker Darbo, Giovanni Ely, Robert Fougeron, Denis Garcia-Sciveres, Maurice Gnani, Dario Hemperek, Tornasz Karagounis, Michael Kluit, Ruud Kostyukhin, Vadim Mekkaoui, Abderrezak Menouni, Moshine Schipper, Jan David Wermes, Norbert TI Digital Architecture and Interface of the New ATLAS Pixel Front-End IC for Upgraded LHC Luminosity SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Digital integrated circuits; FE-I4; front end electronics; pixel detectors; pixel electronics AB A new pixel Front-End Integrated Circuit is being developed in a 130 nm technology for use in the foreseen b-layer upgrade of the ATLAS pixel detector. Development of this chip is considered as an intermediate step towards super-LHC upgrade, and also allows having a smaller radius insertable pixel layer. The higher luminosity for which this chip is tuned implies a complete redefinition of the digital architecture logic with respect to the current ATLAS pixel Front-End. The new digital architecture logic is not based on a transfer of all pixel hits to the periphery of the chip, but on local pixel logic, local pixel data storage, and a new mechanism to drain triggered hits from the Double-Column. An overview of the new chip will be given with particular emphasis on the new digital logic architecture and possible variations. The new interface needed to configure and operate the chip will also be described. C1 [Arutinov, David; Barbero, Marlon; Buescher, Volker; Hemperek, Tornasz; Karagounis, Michael; Wermes, Norbert] Inst Phys, D-53115 Bonn, Germany. [Beccherle, Roberto; Darbo, Giovanni; Kostyukhin, Vadim] Ist Nazl Fis Nucl, I-16146 Genoa 33, Italy. [Ely, Robert; Garcia-Sciveres, Maurice; Gnani, Dario; Mekkaoui, Abderrezak] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Fougeron, Denis; Menouni, Moshine] Aix Marseille Univ, CPPM, CNRS, IN2P3, Marseille, France. [Kluit, Ruud; Schipper, Jan David] NIKHEF, NL-1098 SJ Amsterdam, Netherlands. RP Arutinov, D (reprint author), Inst Phys, D-53115 Bonn, Germany. EM arutinov@physik.uni-bonn.de RI Gnani, Dario/J-6426-2012 OI Gnani, Dario/0000-0003-0464-9176 NR 13 TC 7 Z9 7 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD APR PY 2009 VL 56 IS 2 BP 388 EP 393 DI 10.1109/TNS.2009.2015318 PG 6 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 435WZ UT WOS:000265375300004 ER PT J AU Chichester, DL Seabury, EH AF Chichester, David L. Seabury, Edward H. TI Using Electronic Neutron Generators in Active Interrogation to Detect Shielded Fissionable Material SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Active interrogation; electronic neutron generator; special nuclear material ID DIE-AWAY ANALYSIS; DIFFERENTIAL DIE; SYSTEM; CARGO AB Experiments have been performed at Idaho National Laboratory to study methodology and instrumentation for performing neutron active interrogation die-away analyses for the purpose of detecting shielded fissionable material. Here we report initial work using a portable DT electronic neutron generator with a (3)He neutron detector to detect shielded fissionable material including enriched uranium and reactor grade plutonium. Measurements have been taken of bare material as well as of material hidden within a large plywood cube. Results from this work have demonstrated the efficacy of the die-away neutron measurement technique for quickly detecting the presence of special nuclear material hidden within plywood shields by analyzing the time dependent neutron signals in-between neutron generator pulses. Using a DT electronic neutron generator operating at 300 Hz with a yield of approximately 0.36 x 10(8) neutrons per second, 2.2 kg of enriched uranium hidden within a 61 cm x 61 cm x 71 cm volume of plywood was positively detected with a measurement signal 2-sigma above the passive background within 1 second. Similarly, for a 500 second measurement period a lower detection limit approaching the gram level could be expected with the same simple set-up. C1 [Chichester, David L.; Seabury, Edward H.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Chichester, DL (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM David.Chichester@INL.gov; Edward.Seabury@INL.gov FU U.S. Department of Energy [DE-AC07-05ID14517] FX This work was supported by INL Laboratory Directed Research and Development. Idaho National Laboratory is operated for the U.S. Department of Energy by Battelle Energy Alliance under DOE Contract DE-AC07-05ID14517. NR 18 TC 10 Z9 11 U1 2 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD APR PY 2009 VL 56 IS 2 BP 441 EP 447 DI 10.1109/TNS.2009.2014760 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 435WZ UT WOS:000265375300011 ER PT J AU Mihailescu, L Vetter, K Chivers, D AF Mihailescu, Lucian Vetter, Kai Chivers, Daniel TI Standoff 3D Gamma-Ray Imaging SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Compton scatter imaging; gamma-radiation; radiation imaging; semiconductor detectors ID CAMERA; RECONSTRUCTION; SENSITIVITY; LIKELIHOOD; SYSTEM AB We present a new standoff imaging technique able to provide 3-dimensional (3D) images of gamma-ray sources distributed in the environment. Unlike standard 3D tomographic methods, this technique does not require the radioactive sources to be bounded within a predefined physical space. In the present implementation, the gamma-ray imaging system is based on two large planar HPGe double sided segmented detectors, which are used in a Compton camera configuration. A LIDAR system is used in conjunction with the gamma-ray imaging system to confine the gamma-ray image space to the interior of physical objects situated within the detection range of the gamma-ray imager. This approach results in superior image contrast and efficient image reconstruction. Results demonstrating the operating principle are reported. C1 [Mihailescu, Lucian; Vetter, Kai] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Vetter, Kai; Chivers, Daniel] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. RP Mihailescu, L (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM lmihailescu@lbl.gov; kvetter@nuc.berkeley.edu; chivers@berkeley.edu FU Domestic Nuclear Detection Office of the Department of Homeland Security; NA-24 Office of the National Nuclear Security Administration FX This work was supported by the Domestic Nuclear Detection Office of the Department of Homeland Security and by the NA-24 Office of the National Nuclear Security Administration. NR 14 TC 11 Z9 11 U1 0 U2 10 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD APR PY 2009 VL 56 IS 2 BP 479 EP 486 DI 10.1109/TNS.2009.2015304 PG 8 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 435WZ UT WOS:000265375300017 ER PT J AU Da Via, C Deile, M Hasi, J Kenney, C Kok, A Parker, S Watts, S Anelli, G Avati, V Bassetti, V Boccone, V Bozzo, M Eggert, K Ferro, F Inyakin, A Kaplon, J Bahilo, JL Morelli, A Niewiadomski, H Noschis, E Oljemark, F Oriunno, M Osterberg, K Ruggiero, G Snoeys, W Tapprogge, S AF Da Via, Cinzia Deile, Mario Hasi, Jasmine Kenney, Christopher Kok, Angela Parker, Sherwood Watts, Stephen Anelli, Giovanni Avati, Valentina Bassetti, Valerio Boccone, Vittorio Bozzo, Marco Eggert, Karsten Ferro, Fabrizio Inyakin, Alexandre Kaplon, Jan Bahilo, Julio Lozano Morelli, Aldo Niewiadomski, Hubert Noschis, Elias Oljemark, Fredrik Oriunno, Marco Osterberg, Kenneth Ruggiero, Germaro Snoeys, Walter Tapprogge, Stefan TI 3D Active Edge Silicon Detector Tests With 120 GeV Muons SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE 3D silicon detectors; active edges; forward proton tagging; large hadron collider; radiation hardness; Roman pots ID RADIATION HARDNESS; SENSORS; ARCHITECTURE; CHARGE AB 3D detectors with electrodes penetrating through the silicon water and covering the edges were tested in the SPS beam line X5 at CERN in autumn 2003. Detector parameters including efficiency, signal-to-noise ratio, and edge sensitivity were measured using a silicon telescope as a reference system. The measured sensitive width and the known silicon width were equal within less than 10 mu m. C1 [Da Via, Cinzia; Hasi, Jasmine; Watts, Stephen] Univ Manchester, Dept Phys & Astron, Manchester M13 9PL, Lancs, England. [Deile, Mario; Anelli, Giovanni; Eggert, Karsten; Inyakin, Alexandre; Kaplon, Jan; Bahilo, Julio Lozano; Niewiadomski, Hubert; Noschis, Elias; Oriunno, Marco; Ruggiero, Germaro; Snoeys, Walter] CERN, PH Dept, CH-1211 Geneva 23, Switzerland. [Kenney, Christopher] Stanford Nanofabricat Facil, Mol Biol Consortium, Palo Alto, CA 94303 USA. [Kok, Angela] SINTEF, MinaLab, Oslo, Norway. [Parker, Sherwood] Univ Hawaii, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Avati, Valentina; Oljemark, Fredrik; Osterberg, Kenneth; Tapprogge, Stefan] Univ Helsinki, Dept Phys Sci, Div High Energy Phys, Helsinki, Finland. [Avati, Valentina; Oljemark, Fredrik; Osterberg, Kenneth; Tapprogge, Stefan] Helsinki Inst Phys, Helsinki, Finland. [Bassetti, Valerio; Boccone, Vittorio; Bozzo, Marco; Ferro, Fabrizio; Morelli, Aldo] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Bassetti, Valerio; Boccone, Vittorio; Bozzo, Marco; Ferro, Fabrizio; Morelli, Aldo] Univ Genoa, Genoa, Italy. RP Da Via, C (reprint author), Univ Manchester, Dept Phys & Astron, Manchester M13 9PL, Lancs, England. EM cinzia.da.via@cern.ch; Mario.Deile@cern.ch; sher@slac.stanford.edu RI Snoeys, Walter/K-8259-2015; Lozano Bahilo, Julio/F-4881-2016 OI Snoeys, Walter/0000-0003-3541-9066; Lozano Bahilo, Julio/0000-0003-0613-140X FU U.S. Department of Energy [DE-FG02-04ER41291, DE-FG02-05ER41387]; National Science Foundation [ECS-9731293] FX This work was supported in part by the U.S. Department of Energy under Grants DE-FG02-04ER41291 and DE-FG02-05ER41387 (ADR), and was performed in part at the Stanford Nanofabrication Facility (a member of the National Nanotechnology Infrastructure Network), which is supported by the National Science Foundation under Grant ECS-9731293. NR 27 TC 10 Z9 10 U1 0 U2 6 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD APR PY 2009 VL 56 IS 2 BP 505 EP 518 DI 10.1109/TNS.2009.2013951 PG 14 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 435WZ UT WOS:000265375300020 ER PT J AU Kwan, TJT Berninger, M Snell, C Wang, TSF Yin, L AF Kwan, Thomas J. T. Berninger, Michael Snell, Charles Wang, Tai-Sen F. Yin, Lin TI Simulation of the Cygnus Rod-Pinch Diode Using the Radiographic Chain Model SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article; Proceedings Paper CT 35th IEEE International Conference on Plasma Science CY JUN 15-19, 2008 CL Karlsruhe, GERMANY SP IEEE Nucl & Plasma Sci Soc, Plasma Sci & Appl Comm DE Cygnus; diode; flash radiography; simulation ID MV AB The Cygnus radiographic machine is a relatively compact low-energy (< 3 MV) X-ray source with some extremely desirable features for radiographic applications. These features include small spot size, which is critical for high-spatial resolution, and high dose in a low-energy range. The X-ray source is based on bremsstrahlung production in a small-diameter (similar to 0.75 mm) tung; sten rod by a high-current (similar to 60 kA) electron beam converging a the tip of the rod. For quantitative analysis of radiographic data, it is essential to determine the bremsstrahlung spectrum accurately. We have used the radiographic chain model to self-consistently model the diode with a 2-D particle-in-cell (PIC) code (Merlin) linked to an electron-photon Monte Carlo code to obtain the spectrum under three different situations: a steady-state spectrum using a voltage pulse of 2.25 MV, a time-integrated spectrum using a time-dependent experimental voltage pulse, and the spectrum resulting from inclusion of reflexing electrons around the anode rod in our PIC simulation. Detailed electron dynamics were obtained. We conclude that the time-integrated bremsstrahlung spectrum is significantly softer than that of the steady state. Including the effects of reflexing electrons using a Monte Carlo transport method in Merlin produced a spectrum in better agreement with experimental data. C1 [Kwan, Thomas J. T.; Snell, Charles; Wang, Tai-Sen F.; Yin, Lin] Los Alamos Natl Lab, Div Appl Phys, Los Alamos, NM 87545 USA. [Berninger, Michael] Natl Secur Technol LLC, Los Alamos Operat, Los Alamos, NM 87544 USA. RP Kwan, TJT (reprint author), Los Alamos Natl Lab, Div Appl Phys, POB 1663, Los Alamos, NM 87545 USA. EM tjtk@lanl.gov OI Yin, Lin/0000-0002-8978-5320 NR 14 TC 2 Z9 2 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD APR PY 2009 VL 37 IS 4 BP 530 EP 537 DI 10.1109/TPS.2009.2014767 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 435XJ UT WOS:000265376300009 ER PT J AU Fuks, MI Abubakirov, EB Hahn, KD Schamiloglu, E AF Fuks, Mikhail I. Abubakirov, Edward B. Hahn, Kelly D. Schamiloglu, Edl TI Impact of Spent Electrons on BWO Operation SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Backward-wave oscillator (BWO); Cherenkov and cyclotron interaction; space-charge-limiting current; virtual cathode (VC) ID BACKWARD-WAVE OSCILLATORS AB As a result of their interaction with an operating wave in a backward-wave oscillator (BWO), electrons give up their energy to the electromagnetic field and acquire a large energy spread. The energy spread decreases the space-charge-limiting current, which can result in the formation of a virtual cathode (VC) for low-energy electrons in the output channel. We analyze the influence of electrons reflected from the VC on BWO operation, which manifests as a decrease in the generated power and in the appearance of modulated power. In the region of cyclotron absorption, the reflected electrons cause high-frequency generation with a high noise level. C1 [Fuks, Mikhail I.; Schamiloglu, Edl] Univ New Mexico, Dept Elect & Comp Engn, Albuquerque, NM 87131 USA. [Abubakirov, Edward B.] Russian Acad Sci, Branch High Current Microwave Elect, Inst Appl Phys, Nizhnii Novgorod 603950, Russia. [Hahn, Kelly D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Fuks, MI (reprint author), Univ New Mexico, Dept Elect & Comp Engn, Albuquerque, NM 87131 USA. EM fuks@ece.unm.edu; edward@appl.sci-nov.ru; kdhahn@sandia.gov; edl@ece.unm.edu NR 21 TC 8 Z9 8 U1 0 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD APR PY 2009 VL 37 IS 4 BP 560 EP 567 DI 10.1109/TPS.2009.2012862 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 435XK UT WOS:000265376400004 ER PT J AU Olama, MM Djouadi, SM Charalambous, CD AF Olama, Mohammed M. Djouadi, Seddik M. Charalambous, Charalambos D. TI Stochastic Differential Equations for Modeling, Estimation and Identification of Mobile-to-Mobile Communication Channels SO IEEE TRANSACTIONS ON WIRELESS COMMUNICATIONS LA English DT Article DE Mulipath fading channels; stochastic differential equations; Doppler spectral density; Kalman filter; expectation maximization; estimation and identification ID PARAMETER-ESTIMATION; EM ALGORITHM; SIMULATION; SIGNAL AB Mobile-to-mobile networks are characterized by node mobility that makes the propagation environment time varying and subject to fading. As a consequence, the statistical characteristics of the received signal vary continuously, giving rise to a Doppler power spectral density (DPSD) which varies from one observation instant to the next. The current models do not capture and track the time varying characteristics. This paper is concerned with dynamical modeling of time varying mobile-to-mobile channels, parameter estimation and identification from received signal measurements. The evolution of the propagation environment is described by stochastic differential equations, whose parameters can be determined by approximating the band-limited DPSD using the Gauss-Newton method. However, since the DPSD is not available online, we propose to use a filter-based expectation maximization algorithm and Kalman filter to estimate the channel parameters and states, respectively. The scheme results in a finite dimensional filter which only uses the first and second order statistics. The algorithm is recursive allowing the inphase and quadrature components and parameters to be estimated online from received signal measurements. The algorithms are tested using experimental data collected from moving sensor nodes in indoor and outdoor environments demonstrating the method's viability. C1 [Olama, Mohammed M.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. [Djouadi, Seddik M.] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. [Charalambous, Charalambos D.] Univ Cyprus, Dept Elect & Comp Engn, Nicosia, Cyprus. RP Olama, MM (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, POB 2008, Oak Ridge, TN 37831 USA. EM olamahussemm@ornl.gov; djouadi@eecs.utk.edu; chadcha@ucy.ac.cy OI , Charalambos D./0000-0002-2168-0231 NR 32 TC 8 Z9 8 U1 0 U2 6 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1536-1276 EI 1558-2248 J9 IEEE T WIREL COMMUN JI IEEE Trans. Wirel. Commun. PD APR PY 2009 VL 8 IS 4 BP 1754 EP 1763 DI 10.1109/TWC.2009.071068 PG 10 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA 435WD UT WOS:000265373100026 ER PT J AU Fisk, WJ Mirer, AG Mendell, MJ AF Fisk, W. J. Mirer, A. G. Mendell, M. J. TI Quantitative relationship of sick building syndrome symptoms with ventilation rates SO INDOOR AIR LA English DT Article DE Association; Health; Quantification; Sick building syndrome; Symptoms; Ventilation rate ID CALL-CENTER OPERATORS; OFFICE BUILDINGS; PERFORMANCE; HEALTH; RESPONSES AB Data from published studies were combined and analyzed to develop best-fit equations and curves quantifying the change in sick building syndrome (SBS) symptom prevalence in office workers with ventilation rate. For each study, slopes were calculated, representing the fractional change in SBS symptom prevalence per unit change in ventilation rate per person. Values of ventilation rate, associated with each value of slope, were also calculated. Linear regression equations were fitted to the resulting data points, after weighting by study size. Integration of the slope-ventilation rate equations yielded curves of relative SBS symptom prevalence vs. ventilation rate. Based on these analyses, as the ventilation rate drops from 10 to 5 l/s-person, relative SBS symptom prevalence increases approximately 23% (12% to 32%), and as ventilation rate increases from 10 to 25 l/s-person, relative prevalence decreases approximately 29% (15% to 42%). Variations in SBS symptom types, building features, and outdoor air quality may cause the relationship of SBS symptom prevalence with ventilation rate in specific situations to differ from the average relationship predicted in this paper.On average, providing more outdoor air ventilation will reduce prevalence rates of sick building syndrome (SBS) symptoms. However, given the costs of energy use, including increased risks of climate change, it is important to balance the benefits and risks of increased ventilation. This paper provides initial estimates of how the incremental health benefits per unit of increased ventilation diminish at higher levels of ventilation. C1 [Fisk, W. J.; Mirer, A. G.; Mendell, M. J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Indoor Environm Dept, Berkeley, CA 94720 USA. RP Fisk, WJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Indoor Environm Dept, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM wjfisk@lbl.gov FU U.S. Environmental Protection Agency; Indoor Environments Division [DW89922244-01-0]; Office of Radiation and Indoor Air of the U.S. Environmental Protection Agency (EPA); US Department of Energy [DE-AC02-05CH11231] FX The authors thank Phil Price and Mike Apte for their reviews of a draft of this paper and Greg Brunner at the U.S. Environmental Protection Agency for his highly effective research project management. This study was funded through interagency agreement DW89922244-01-0 between the Indoor Environments Division, Office of Radiation and Indoor Air of the U.S. Environmental Protection Agency (EPA) and the US Department of Energy under contract DE-AC02-05CH11231, to support EPA's IAQ Scientific Findings Resource Bank. Conclusions in this paper are those of the authors and not necessarily those of the U.S. EPA. NR 12 TC 58 Z9 59 U1 6 U2 34 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0905-6947 J9 INDOOR AIR JI Indoor Air PD APR PY 2009 VL 19 IS 2 BP 159 EP 165 DI 10.1111/j.1600-0668.2008.00575.x PG 7 WC Construction & Building Technology; Engineering, Environmental; Public, Environmental & Occupational Health SC Construction & Building Technology; Engineering; Public, Environmental & Occupational Health GA 425BB UT WOS:000264610900009 PM 19207289 ER PT J AU Greathouse, JA Kinnibrugh, TL Allendorf, MD AF Greathouse, Jeffery A. Kinnibrugh, Tiffany L. Allendorf, Mark D. TI Adsorption and Separation of Noble Gases by IRMOF-1: Grand Canonical Monte Carlo Simulations SO INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH LA English DT Article ID METAL-ORGANIC FRAMEWORKS; MOLECULAR-DYNAMICS SIMULATIONS; FIXED-BED ADSORPTION; HYDROGEN STORAGE; FORCE-FIELD; CU-BTC; COORDINATION POLYMERS; SORPTION PROPERTIES; METHANE ADSORPTION; CO2 ADSORPTION AB The gas storage capacity of metal-organic frameworks (MOFs) is well-known and has been investigated using both experimental and Computational methods. Previous Monte Carlo Computer simulations of gas adsorption by MOFs have made several questionable approximations regarding framework-framework and framework-adsorbate interactions: potential parameters from general force fields have been used, and framework atoms were fixed at their crystallographic coordinates (rigid framework). We assess the validity of these approximations with grand canonical Monte Carlo simulations for a well-known Zn-based MOF (IRMOF-1), using potential parameters specifically derived for IRMOF-1. Our approach is validated by comparison with experimental results for hydrogen and xenon adsorption at room temperature. The effects of framework flexibility oil the adsorption of noble gases and hydrogen are described, as well as the selectivity of IRMOF-1 for xenon versus other noble gases. At both low temperature (78 K) and room temperature, little difference in gas adsorption is seen between the rigid and flexible force fields. Experimental trends of noble gas inflation Curves are also matched by the simulation results. Additionally, we show that IRMOF-1 selectively adsorbs Xe atoms in Xe/Kr and Xe/Ar mixtures, and this preference correlates with the trend in van der Waals parameters for the adsorbate atoms. C1 [Greathouse, Jeffery A.; Kinnibrugh, Tiffany L.] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. [Allendorf, Mark D.] Sandia Natl Labs, Microfluidies Dept, Livermore, CA 94551 USA. RP Greathouse, JA (reprint author), Sandia Natl Labs, Dept Geochem, POB 5800, Albuquerque, NM 87185 USA. EM jagreat@sandia.gov FU Sandia National Laboratories; Sandia Corp.; Lockheed Martin company; U.S. Department of Energy [DE-AC04-94AL85000] FX This work is supported by Sandia National Laboratories under its LDRD program. Sandia is a multiprogram laboratory operated by Sandia Corp., a Lockheed Martin company, for the U.S. Department of Energy under Contract DE-AC04-94AL85000. NR 83 TC 76 Z9 77 U1 7 U2 81 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0888-5885 J9 IND ENG CHEM RES JI Ind. Eng. Chem. Res. PD APR 1 PY 2009 VL 48 IS 7 BP 3425 EP 3431 DI 10.1021/ie801294n PG 7 WC Engineering, Chemical SC Engineering GA 424LX UT WOS:000264569300022 ER PT J AU Busche, B Wiacek, R Davidson, J Koonsiripaiboon, V Yantasee, W Addleman, RS Fryxell, GE AF Busche, Brad Wiacek, Robert Davidson, Joseph Koonsiripaiboon, View Yantasee, Wassana Addleman, R. Shane Fryxell, Glen E. TI Synthesis of nanoporous iminodiacetic acid sorbents for binding transition metals SO INORGANIC CHEMISTRY COMMUNICATIONS LA English DT Article DE Nanoporous; Sorbent; Ion exchange; Chelation; Ion chromatography; Self-assembled monolayer ID CHELATION ION CHROMATOGRAPHY; N-(PHOSPHONOMETHYL)IMINODIACETIC ACID; ISOCRATIC SEPARATION; LAYERED COMPOUNDS; MODIFIED SILICA; LANTHANIDES; SELECTIVITY; COMPLEXES; MECHANISM; STRENGTH AB Iminodiacetic acid (IDAA) forms strong complexes with a wide variety of metal ions. Using self-assembled monolayers in mesoporous supports (SAMMS) to present the IDAA ligand potentially allows for multiple metal-ligand interactions to enhance the metal binding affinity relative to that of randomly oriented polymer-based supports. This manuscript describes the synthesis of a novel nanostructured sorbent material built using self-assembly of a IDAA ligand inside a nanoporous silica, and demonstrates its use for capturing transition metal cations, and anionic metal complexes, such as PdCl(4)(-2). (C) 2009 Elsevier B V. All rights reserved. C1 [Busche, Brad; Wiacek, Robert; Davidson, Joseph; Koonsiripaiboon, View; Yantasee, Wassana; Addleman, R. Shane; Fryxell, Glen E.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Fryxell, GE (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM glen.fryxell@pnl.gov FU Laboratory Directed Research and Development Program; National Institute of Environmental Health Sciences (NIEHS) [R21ES015620] FX This work was performed at Pacific Northwest National Laboratories, which is operated for the US-DOE by Battelle Memorial Institute under Contract DE AC06-76RLO 1830. This research was supported by the Laboratory Directed Research and Development Program, and the National Institute of Environmental Health Sciences (NIEHS), Grant# R21ES015620. NR 31 TC 20 Z9 24 U1 0 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-7003 J9 INORG CHEM COMMUN JI Inorg. Chem. Commun. PD APR PY 2009 VL 12 IS 4 BP 312 EP 315 DI 10.1016/j.inoche.2009.02.003 PG 4 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 432XH UT WOS:000265167200009 PM 22068901 ER PT J AU Dillard, SE Natarajan, V Weber, GH Pascucci, V Hamann, B AF Dillard, Scott E. Natarajan, Vijay Weber, Gunther H. Pascucci, Valerio Hamann, Bernd TI TOPOLOGY-GUIDED TESSELLATION OF QUADRATIC ElEMENTS SO INTERNATIONAL JOURNAL OF COMPUTATIONAL GEOMETRY & APPLICATIONS LA English DT Article; Proceedings Paper CT 17th International Symposium on Algorithms and Computation (ISAAC 2006) CY DEC 18-20, 2006 CL Calcutta, INDIA SP Govt India, Dept Sci & Technol, Govt India, Council Sci & Ind Res, Reserve Bank India, Govt W Bengal, Dept Informat Technol, Capgemini Consulting India Private Ltd, Tata Consultancy Serv, IBM India Software Lab, Cognizant Technol Solut, Anshin Software DE Topology; Reeb graphs; quadratic surfaces ID CONTOUR TREES AB Topology-based methods have been successfully used for the analysis and visualization of piecewise-linear functions defined on triangle meshes. This paper describes a mechanism for extending these methods to piecewise-quadratic functions defined on triangulations of surfaces. Each triangular patch is tessellated into monotone regions, so that existing algorithms for computing topological representations of piecewise-linear functions may be applied directly to the piecewise-quadratic function. In particular, the tessellation is used for computing the Reeb graph, a topological data structure that provides a succinct representation of level sets of the function. C1 [Dillard, Scott E.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Natarajan, Vijay] Indian Inst Sci, Dept Comp Sci & Automat, Bangalore 560012, Karnataka, India. [Weber, Gunther H.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Pascucci, Valerio] Univ Utah, Inst Comp Sci, Salt Lake City, UT 84112 USA. [Hamann, Bernd] Univ Calif Davis, IDAV, Davis, CA 95616 USA. RP Dillard, SE (reprint author), Los Alamos Natl Lab, POB 1663,MS T001, Los Alamos, NM 87544 USA. EM sdillard@lanl.gov; vijayn@csa.iisc.ernet.in; ghweber@lbl.gov; pascucci@acm.org; hamann@cs.ucdavis.edu OI Weber, Gunther/0000-0002-1794-1398 NR 18 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-1959 EI 1793-6357 J9 INT J COMPUT GEOM AP JI Int. J. Comput. Geom. Appl. PD APR PY 2009 VL 19 IS 2 BP 195 EP 211 PG 17 WC Computer Science, Theory & Methods; Mathematics, Applied SC Computer Science; Mathematics GA 441WU UT WOS:000265802000007 ER PT J AU Serrano, JR Phinney, LM Rogers, JW AF Serrano, Justin R. Phinney, Leslie M. Rogers, James W. TI Temperature amplification during laser heating of polycrystalline silicon microcantilevers due to temperature-dependent optical properties SO INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER LA English DT Article DE MEMS; Optical absorption; Polysilicon; Raman thermometry; Thermal model ID ACTUATORS; CANTILEVERS; SCATTERING; DAMAGE AB The absorption of optical energy and Subsequent thermal transport are investigated experimentally and numerically for 500 mu m long, 250 mu m wide, and 2.25 mu m thick polycrystalline silicon microcantilevers irradiated by an 808 nm continuous-wave laser. Temperature profiles were measured using Raman thermometry at 314 and 532 mW of laser power, and the microcantilever peak temperature was measured for laser powers up to 719 mW. A modular technique for multilayered structures is used to calculate the optical absorption in polysilicon microcantilevers, and the thermal response is then calculated with a two-dimensional, finite difference model. Very good agreement is obtained between the measured and calculated temperature profiles and peak temperatures versus laser power. The abrupt increase or amplification of peak temperature for laser powers between 415 and 440 mW is shown to be a result of peaks in the temperature-dependent optical absorptance. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Serrano, Justin R.; Phinney, Leslie M.] Sandia Natl Labs, Engn Sci Ctr, Albuquerque, NM 87185 USA. [Rogers, James W.] Murray State Univ, Dept Engn & Phys, Murray, KY 42071 USA. RP Phinney, LM (reprint author), Sandia Natl Labs, Engn Sci Ctr, POB 5800, Albuquerque, NM 87185 USA. EM lmphinn@sandia.gov FU Sandia Corporation; Lockheed Martin Company; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX 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. The authors acknowledge the assistance of Wayne Trott, Jaime Castaneda, and Allen Gorby during the experimental measurements. NR 22 TC 9 Z9 9 U1 3 U2 6 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0017-9310 J9 INT J HEAT MASS TRAN JI Int. J. Heat Mass Transf. PD APR PY 2009 VL 52 IS 9-10 BP 2255 EP 2264 DI 10.1016/j.ijheatmasstransfer.2008.12.003 PG 10 WC Thermodynamics; Engineering, Mechanical; Mechanics SC Thermodynamics; Engineering; Mechanics GA 421HV UT WOS:000264350900008 ER PT J AU Naterer, G Suppiah, S Lewis, M Gabriel, K Dincer, I Rosen, MA Fowler, M Rizvi, G Easton, EB Ikeda, BM Kaye, MH Lu, L Pioro, I Spekkens, P Tremaine, P Mostaghimi, J Avsec, J Jiang, J AF Naterer, G. Suppiah, S. Lewis, M. Gabriel, K. Dincer, I. Rosen, M. A. Fowler, M. Rizvi, G. Easton, E. B. Ikeda, B. M. Kaye, M. H. Lu, L. Pioro, I. Spekkens, P. Tremaine, P. Mostaghimi, J. Avsec, J. Jiang, J. TI Recent Canadian advances in nuclear-based hydrogen production and the thermochemical Cu-Cl cycle SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Nuclear-based hydrogen production; Thermochemical copper-chlorine cycle; Electrolysis ID COPPER-CHLORINE CYCLE; PRODUCTION STEP; CUPRIC CHLORIDE; POWER-PLANTS; ENERGY; DECOMPOSITION; ELECTRODES; ECONOMY; STORAGE; HEAT AB This paper presents recent Canadian advances in nuclear-based production of hydrogen by electrolysis and the thermochemical copper-chlorine (Cu-Cl) cycle. This includes individual process and reactor developments within the Cu-Cl cycle, thermochemical properties, advanced materials, controls, safety, reliability, economic analysis of electrolysis at off-peak hours, and integrating hydrogen plants with Canada's nuclear power plants. These enabling technologies are being developed by a Canadian consortium, as part of the Generation IV International Forum (GIF) for hydrogen production from the next generation of nuclear reactors. (C) 2009 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved. C1 [Naterer, G.] Univ Ontario, Inst Technol, UOIT, Oshawa, ON L1H 7K4, Canada. [Suppiah, S.] AECL Res, Hydrogen Isotopes Technol Branch, Chalk River, ON K0J 1J0, Canada. [Lewis, M.] Argonne Natl Lab, Div Chem Engn, Argonne, IL 60439 USA. [Gabriel, K.] UOIT, Res, Oshawa, ON L1H 7K4, Canada. [Fowler, M.] Univ Waterloo, Waterloo, ON N2L 3G1, Canada. [Ikeda, B. M.; Kaye, M. H.; Lu, L.; Pioro, I.] UOIT, Fac Energy Syst & Nucl Sci, Oshawa, ON L1H 7K4, Canada. [Spekkens, P.] Ontario Power Generat, Pickering, ON, Canada. [Tremaine, P.] Univ Guelph, Guelph, ON N1G 2W1, Canada. [Mostaghimi, J.] Univ Toronto, Toronto, ON M5S 3E5, Canada. [Avsec, J.] Univ Maribor, Fac Energy Technol, Krshko 8270, Slovenia. [Jiang, J.] Univ Western Ontario, London, ON N6A 5B9, Canada. RP Naterer, G (reprint author), Univ Ontario, Inst Technol, UOIT, 2000 Simcoe St, Oshawa, ON L1H 7K4, Canada. EM greg.naterer@uoit.ca RI Dincer, Ibrahim/A-5379-2012; Tremaine, Peter/F-9814-2015; OI Easton, E. Bradley/0000-0003-1493-0500 FU Atomic Energy of Canada Limited; Ontario Research Excellence Fund; Argonne National Laboratory (International Nuclear Energy Research Initiative; U.S. Department of Energy); Natural Sciences and Engineering Research Council of Canada (NSERC); University Network of Excellence in Nuclear Engineering (UNENE); Canada Research Chairs (CRC) FX Support of this research and assistance from Atomic Energy of Canada Limited, Ontario Research Excellence Fund, Argonne National Laboratory (International Nuclear Energy Research Initiative; U.S. Department of Energy), Natural Sciences and Engineering Research Council of Canada (NSERC), University Network of Excellence in Nuclear Engineering (UNENE) and the Canada Research Chairs (CRC) program are gratefully acknowledged. NR 43 TC 95 Z9 96 U1 4 U2 15 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-3199 J9 INT J HYDROGEN ENERG JI Int. J. Hydrog. Energy PD APR PY 2009 VL 34 IS 7 BP 2901 EP 2917 DI 10.1016/j.ijhydene.2009.01.090 PG 17 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 437GD UT WOS:000265473900007 ER PT J AU Hardy, BJ Anton, DL AF Hardy, Bruce J. Anton, Donald L. TI Hierarchical methodology for modeling hydrogen storage systems. Part II: Detailed models SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Hydrogen storage modeling; Hydrogen storage systems; Metal hydrides; Hierarchical modeling system ID METAL HYDRIDE BEDS; MASS-TRANSFER; HEAT; REACTOR; OPTIMIZATION; ABSORPTION; TEMPERATURE; PREDICTION; SIMULATION; FETIH1.6 AB There is significant interest in hydrogen storage systems that employ a media which either adsorbs, absorbs or reacts with hydrogen in a nearly reversible manner. in any media based storage system the rate of hydrogen uptake and the system capacity is governed by a number of complex, coupled physical processes. To design and evaluate such storage systems, a comprehensive methodology was developed, consisting of a hierarchical sequence of models that range from scoping calculations to numerical models that couple reaction kinetics with heat and mass transfer for both the hydrogen charging and discharging phases. The scoping models were presented in Part I [Hardy BJ, Anton DL. Hierarchical methodology for modeling hydrogen storage systems. Part I: Scoping models. Int J Hydrogen Energy 2009;34(5):2269-77] of this two part series of papers. This paper describes a detailed numerical model that integrates the phenomena occurring when hydrogen is charged and discharged. A specific application of the methodology is made to a system using NaAlH(4) as the storage media. Published by Elsevier Ltd on behalf of International Association for Hydrogen Energy. C1 [Hardy, Bruce J.; Anton, Donald L.] Savannah River Natl Lab Engn Modeling & Simulat, Aiken, SC 29808 USA. RP Hardy, BJ (reprint author), Savannah River Natl Lab Engn Modeling & Simulat, Bldg 773-42A, Aiken, SC 29808 USA. EM bruce.hardy@srnl.doe.gov FU U.S. Department of Energy [DE-AC09-08SR22470] FX This document was prepared in conjunction with work accomplished under Contract No. DE-AC09-08SR22470 with the U.S. Department of Energy. NR 38 TC 40 Z9 40 U1 0 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-3199 J9 INT J HYDROGEN ENERG JI Int. J. Hydrog. Energy PD APR PY 2009 VL 34 IS 7 BP 2992 EP 3004 DI 10.1016/j.ijhydene.2008.12.056 PG 13 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 437GD UT WOS:000265473900017 ER PT J AU Lee, M Kim, KJ Hopkins, RR Gawlik, K AF Lee, Michael Kim, Kwang J. Hopkins, Ryan R. Gawlik, Keith TI Thermal conductivity measurements of copper-coated metal hydrides (LaNi5, Ca(0.6)Mm(0.4)Ni(5), and LaNi4.75Al0.25) for use in metal hydride hydrogen compression systems SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Metal hydrides; Thermal conductivities ID COMPACTS AB This study was performed to supplement the limited data on metal hydrides by experimentally determining the thermal conductivity of various metal hydride powder pellets that underwent a copper coating process. Three different metal hydride powders were tested (LaNi5, Ca(0.6)Mm(0.4)Ni(5), and LaNi4.75Al0.25) for their thermal conductivity, with variations in testing parameters, and with copper coating processes that varied from 30 to 60 s A testing apparatus was specifically designed for this experiment, and the study reported thermal conductivity values of 3-6 W/m-K. (C) 2009 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved. C1 [Lee, Michael; Kim, Kwang J.; Hopkins, Ryan R.] Univ Nevada, Dept Mech Engn, Reno, NV 89557 USA. [Gawlik, Keith] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Kim, KJ (reprint author), Univ Nevada, Dept Mech Engn, Reno, NV 89557 USA. EM kwangkim@unr.edu OI Kim, Kwang/0000-0003-2134-4964 FU U.S. Department of Energy via National Renewable Energy Laboratory; NSWEP program [NDJ-6-66271-01] FX The authors extend sincere thanks for the financial support from the U.S. Department of Energy via National Renewable Energy Laboratory in connection with the NSWEP program (NDJ-6-66271-01). NR 11 TC 14 Z9 14 U1 0 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-3199 J9 INT J HYDROGEN ENERG JI Int. J. Hydrog. Energy PD APR PY 2009 VL 34 IS 7 BP 3185 EP 3190 DI 10.1016/j.ijhydene.2009.01.078 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 437GD UT WOS:000265473900037 ER PT J AU Koizumi, H Whitten, WB Reilly, PTA Koizumi, E AF Koizumi, Hideya Whitten, William B. Reilly, Peter T. A. Koizumi, Eiko TI The effect of endcap electrode holes on the resonant ejection from an ion trap SO INTERNATIONAL JOURNAL OF MASS SPECTROMETRY LA English DT Article DE Ion trap; Resonance ejection; Endcap hole effects; Higher order field effects ID AXIAL SECULAR FREQUENCY; PAUL TRAP; MASS-SPECTROMETRY; FIELD; SIMULATION; EXCITATION; RESOLUTION; SHIFTS AB The presence of endcap holes greatly influences the performance of an ion trap mass spectrometer. Optimizing the shape and size of the holes may significantly improve ion trap performance. The field contours have been numerically simulated at varying hole sizes and the potentials were numerically fitted. The presence of holes in the electrodes adds higher order negative components to the field inside the trap. The absolute values of the field components were found to increase with increasing hole size. The fitted potentials were then used to reexamine the amplitude response functions. The addition of negative higher order field components produces up to four jump points in the amplitude response function. The new jump points may produce multiple jump phenomena in forward scans as well as a jump condition in the reverse scan mode that has not previously been considered. The shape of the amplitude response function is dependent on the hole size and the amplitude of the dipole excitation waveform at constant buffer gas pressure. The shape of the function has interesting implications for the resonance ejection process, This work provides new insights into the resonance excitation process in nonlinear ion traps. (C) 2008 Elsevier B.V. All rights reserved. C1 [Reilly, Peter T. A.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Koizumi, Eiko] Peace College, Dept Math, Raleigh, NC 27604 USA. RP Reilly, PTA (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008,MS 6142, Oak Ridge, TN 37831 USA. EM ReillyPT@ornl.gov NR 20 TC 9 Z9 9 U1 3 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-3806 J9 INT J MASS SPECTROM JI Int. J. Mass Spectrom. PD APR 1 PY 2009 VL 281 IS 3 BP 108 EP 114 DI 10.1016/j.ijms.2008.12.018 PG 7 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA 426SS UT WOS:000264728600002 ER PT J AU Uyar, F Wilson, SR Gruber, J Lee, S Sintay, S Rollett, AD Srolovitz, DJ AF Uyar, Fatma Wilson, Seth R. Gruber, Jason Lee, Sukbin Sintay, Stephen Rollett, Anthony D. Srolovitz, David J. TI Testing a curvature driven moving finite element grain growth model with the generalized three dimensional von Neumann relation SO INTERNATIONAL JOURNAL OF MATERIALS RESEARCH LA English DT Article DE Grain growth; Finite element; Mean width; Simulation AB The von Neumann-Mullins relation has been extended to higher dimensions by MacPherson and Srolovitz. Their exact solution relates the rate of volume change of ail individual grain in a 3-dimensional isotropic polycrystal to its mean width and total length of triple lines (assuming isotropic boundaries). The objective of this study is to verify that grains in a moving finite element grain growth model obey this law. Algorithms have been developed in order to calculate mean width of individual grains ill digital microstructures for which the grain structure is discretized with both volumetric and surface meshes. Theoretical rate predictions were obtained from the measured mean widths and triple line lengths. Good agreement was found between growth rates measured in the simulations and the predictions of MacPherson-Srolovitz theory for the cases of an isolated shrinking sphere, individual grains in a digitally generated coarse polycrystal, and individual grains in a microstructure reconstructed from serial sectioning of stabilized cubic zirconia. Departures front this relationship appeared to be related to the grain shape. C1 [Uyar, Fatma; Wilson, Seth R.; Lee, Sukbin; Sintay, Stephen; Rollett, Anthony D.] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. [Sintay, Stephen] Los Alamos Natl Lab, Los Alamos, NM USA. [Srolovitz, David J.] Yeshiva Univ, New York, NY 10033 USA. RP Uyar, F (reprint author), Carnegie Mellon Univ, Dept Mat Sci & Engn, 5000 Forbes Ave, Pittsburgh, PA 15213 USA. EM fuyar@andrew.cmu.edu RI Rollett, Anthony/A-4096-2012; LEE, SUKBIN/A-4936-2012 OI Rollett, Anthony/0000-0003-4445-2191; NR 21 TC 5 Z9 5 U1 1 U2 4 PU CARL HANSER VERLAG PI MUNICH PA KOLBERGERSTRASSE 22, POSTFACH 86 04 20, D-81679 MUNICH, GERMANY SN 1862-5282 J9 INT J MATER RES JI Int. J. Mater. Res. PD APR PY 2009 VL 100 IS 4 BP 543 EP 549 DI 10.3139/146.110075 PG 7 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA 437LH UT WOS:000265488500013 ER PT J AU Millett, PC Aidhy, DS Desai, T Phillpot, SR Wolf, D AF Millett, Paul C. Aidhy, Dilpuneet S. Desai, Tapan Phillpot, Simon R. Wolf, Dieter TI Grain-boundary source/sink behavior for point defects: An atomistic simulation study SO INTERNATIONAL JOURNAL OF MATERIALS RESEARCH LA English DT Article DE Grain boundaries; Source/sink mechanisms; Point defects; Molecular dynamics simulation ID MOLECULAR-DYNAMICS; SINK STRENGTHS; METALS; GROWTH; CREEP AB The grain-boundary source and sink strengths for both vacancies and self-interstitials have been determined for columnar nanocrystalline structures of Mo using molecular-dynamics simulation. The microstructures, which are initialized to contain either an over-saturation or under-saturation of one particular point defect species (either vacancies or self-interstitials), are subjected to isothermal annealing at high homologous temperatures (T > 0.75T(m)) while the point-defect concentrations are monitored throughout. We clearly observe an exponential approach of the point-defect concentrations to equilibrium. in agreement with classical rate theory. These observed approaches to equilibrium yield grain-boundary source/sink strengths that correlate with analytical solutions that depend solely oil the grain size. Finally, we find that grain boundary sinks have all approximately equal affinity, or bias, to vacancies and self-interstitials. C1 [Millett, Paul C.; Desai, Tapan; Wolf, Dieter] Idaho Natl Lab, Dept Mat Sci, Idaho Falls, ID 83415 USA. [Aidhy, Dilpuneet S.; Phillpot, Simon R.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. RP Millett, PC (reprint author), Idaho Natl Lab, Dept Mat Sci, IRC Bldg,MS 2211, Idaho Falls, ID 83415 USA. EM Paul.Millett@inl.gov RI Phillpot, Simon/J-9117-2012; OI Phillpot, Simon/0000-0002-7774-6535 NR 18 TC 16 Z9 16 U1 1 U2 15 PU CARL HANSER VERLAG PI MUNICH PA KOLBERGERSTRASSE 22, POSTFACH 86 04 20, D-81679 MUNICH, GERMANY SN 1862-5282 J9 INT J MATER RES JI Int. J. Mater. Res. PD APR PY 2009 VL 100 IS 4 BP 550 EP 555 DI 10.3139/146.110072 PG 6 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA 437LH UT WOS:000265488500014 ER PT J AU Wang, CM Hyman, JD Percus, A Caflisch, R AF Wang, Chiaming Hyman, Jeffrey D. Percus, Allon Caflisch, Russel TI PARALLEL TEMPERING FOR THE TRAVELING SALESMAN PROBLEM SO INTERNATIONAL JOURNAL OF MODERN PHYSICS C LA English DT Article DE Parallel tempering; combinatorial optimization; simulated annealing; traveling salesman problem ID SIMULATION; ALGORITHM AB We explore the potential of parallel tempering as a combinatorial optimization method, applying it to the traveling salesman problem. We compare simulation results of parallel tempering with a benchmark implementation of simulated annealing, and study how different choices of parameters affect the relative performance of the two methods. We find that a straightforward implementation of parallel tempering can outperform simulated annealing in several crucial respects. When parameters are chosen appropriately, both methods yield close approximation to the actual minimum distance for an instance with 200 nodes. However, parallel tempering yields more consistently accurate results when a series of independent simulations are performed. Our results suggest that parallel tempering might offer a simple but powerful alternative to simulated annealing for combinatorial optimization problems. C1 [Wang, Chiaming; Hyman, Jeffrey D.; Percus, Allon; Caflisch, Russel] Univ Calif Los Angeles, Dept Math, Los Angeles, CA 90095 USA. [Percus, Allon] Los Alamos Natl Lab, Informat Sci Grp, Los Alamos, NM 87545 USA. RP Wang, CM (reprint author), Univ Calif Los Angeles, Dept Math, Los Angeles, CA 90095 USA. EM cmwang@math.ucla.edu; hymanjd@gmail.com; percus@ipam.ucla.edu; caflisch@math.ucla.edu FU US Department of Energy [DE-AC52-06NA25396]; NSF [DMS-0707557] FX Research supported by the US Department of Energy under contraet DE-AC52-06NA25396 through the Laboratory Directed Research and Development Program at LANL. Research supported in part by the NSF through grant DMS-0707557. NR 16 TC 3 Z9 4 U1 0 U2 3 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0129-1831 J9 INT J MOD PHYS C JI Int. J. Mod. Phys. C PD APR PY 2009 VL 20 IS 4 BP 539 EP 556 PG 18 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 446MS UT WOS:000266126300004 ER PT J AU Swiatecki, WJ AF Swiatecki, W. J. TI SOME FISSION PROBLEMS CIRCA 1950 AND 2008 SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS LA English DT Editorial Material ID QUANTAL INDETERMINACY; ORIGIN AB In the first part of the talk I will recall conversations with Niels Bohr and John Wheeler concerning the puzzle of the asymmetric mass division in nuclear fission. In 1950 this was the outstanding problem in fission theory, and for a brief period I foolishly believed to have found the solution by relaxing the incompressibility assumption in the liquid drop model of fission. In the second part I will describe recent progress in the formulation and streamlining of the transition-state formulae for the competition between the disintegration of an excited compound nucleus by particle emission and fission. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Swiatecki, WJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM WJSwiatecki@lbl.gov NR 15 TC 1 Z9 1 U1 1 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-3013 J9 INT J MOD PHYS E JI Int. J. Mod. Phys. E-Nucl. Phys. PD APR PY 2009 VL 18 IS 4 BP 747 EP 758 PG 12 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 449SV UT WOS:000266351200001 ER PT J AU Stoitsov, M Nazarewicz, W Schunck, N AF Stoitsov, M. Nazarewicz, W. Schunck, N. TI LARGE-SCALE MASS TABLE CALCULATIONS SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS LA English DT Article CT 15th Workshop on Nuclear Physics CY SEP 24-28, 2008 CL Dolny, POLAND ID FOCK-BOGOLYUBOV EQUATIONS; HARMONIC-OSCILLATOR BASIS; PROGRAM AB Systematic self-consistent nuclear mass calculations, based on the nuclear density functional theory, represent a rich scientific agenda that is closely aligned with the main research directions in modern nuclear structure and astrophysics, especially in the context of the radioactive nuclear beam physics. The status of large-scale mass calculations carried out under the UNEDF project and the development of the mass-table visualization software are briefly discussed. C1 [Stoitsov, M.; Nazarewicz, W.; Schunck, N.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Stoitsov, M.; Nazarewicz, W.; Schunck, N.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Nazarewicz, W.] Warsaw Univ, Inst Theoret Phys, PL-00681 Warsaw, Poland. [Stoitsov, M.] Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, BU-1784 Sofia, Bulgaria. RP Stoitsov, M (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. OI Schunck, Nicolas/0000-0002-9203-6849 NR 15 TC 9 Z9 9 U1 0 U2 2 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-3013 J9 INT J MOD PHYS E JI Int. J. Mod. Phys. E-Nucl. Phys. PD APR PY 2009 VL 18 IS 4 BP 816 EP 822 PG 7 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 449SV UT WOS:000266351200009 ER PT J AU Aberg, S Uhrenholt, H Ichikawa, T Moller, P AF Aberg, Sven Uhrenholt, Henrik Ichikawa, Takatoshi Moeller, Peter TI CHAOS AND STRUCTURE OF LEVEL DENSITIES SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS LA English DT Article CT 15th Workshop on Nuclear Physics CY SEP 24-28, 2008 CL Dolny, POLAND ID RAPIDLY ROTATING NUCLEI; SPECTRA AB Two coexisting facets of warm nuclei, quantum chaos and structure of the level density, are considered. A newly developed combinatorial level-density model is presented, and the role of collective enhancements discussed. An example of extreme parity enhancement is shown. C1 [Aberg, Sven; Uhrenholt, Henrik] Lund Univ, LTH, S-22100 Lund, Sweden. [Ichikawa, Takatoshi] RIKEN, RIKEN Nishina Ctr, Wako, Saitama 3510198, Japan. [Moeller, Peter] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Aberg, S (reprint author), Lund Univ, LTH, POB 118, S-22100 Lund, Sweden. OI Moller, Peter/0000-0002-5848-3565 NR 17 TC 0 Z9 0 U1 0 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-3013 J9 INT J MOD PHYS E JI Int. J. Mod. Phys. E-Nucl. Phys. PD APR PY 2009 VL 18 IS 4 BP 926 EP 934 PG 9 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 449SV UT WOS:000266351200024 ER PT J AU Bonneau, L Le Bloas, J Quentin, P Bartel, J Strottman, D AF Bonneau, Ludovic Le Bloas, Julien Quentin, Philippe Bartel, Johann Strottman, Daniel TI ISOSPIN MIXING IN THE HIGHER TAMM-DANCOFF APPROXIMATION SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS LA English DT Article; Proceedings Paper CT 15th Workshop on Nuclear Physics CY SEP 24-28, 2008 CL Dolny, POLAND AB We present a formalism to study the isospin content of a nuclear state in the framework of the Higher Tamm-Dancoff Approximation. This formalism is then applied to the description of even-even N = Z nuclei. Finally a schematic two-level model provides some insight into the isospin-mixing mechanism at work and the impact of the pairing correlations on the isospin-mixing parameter. C1 [Bonneau, Ludovic; Le Bloas, Julien; Quentin, Philippe; Strottman, Daniel] Univ Bordeaux, F-33175 Gradignan, France. [Bonneau, Ludovic; Le Bloas, Julien; Quentin, Philippe; Strottman, Daniel] Ctr Nucl Studies Bordeaux Gradignan, CNRS, IN2P3, UMR5797, F-33175 Gradignan, France. [Bartel, Johann] Univ Strasbourg, Pluridisciplinary Inst Hubert Curien, UMR7178, F-67037 Strasbourg, France. [Strottman, Daniel] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Bonneau, L (reprint author), Univ Bordeaux, BP 120, F-33175 Gradignan, France. EM bonneau@cenbg.in2p3.fr NR 6 TC 2 Z9 2 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-3013 EI 1793-6608 J9 INT J MOD PHYS E JI Int. J. Mod. Phys. E-Nucl. Phys. PD APR PY 2009 VL 18 IS 4 SI SI BP 951 EP 957 PG 7 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 449SV UT WOS:000266351200027 ER PT J AU Steer, SJ Podolyak, ZS Pietri, S Gorska, M Farrelly, GF Regan, PH Rudolph, D Garnsworthy, AB Hoischen, R Gerl, J Wollersheim, HJ Grawe, H Maier, KH Becker, F Bednarczyk, P Caceres, L Doornenbal, P Geissel, H Grebosz, J Kelic, A Kojouharov, I Kurz, N Montes, F Prokopowicz, W Saito, T Schaffner, H Tashenov, S Heinz, A Kurtukian-Nieto, T Benzoni, G Pfutzner, M Jungclaus, A Balabanski, DL Brandau, C Brown, A Bruce, AM Catford, WN Cullen, IJ Dombradi, ZS Estevez, ME Gelletly, W Ilie, G Jolie, J Jones, GA Kmiecik, M Kondev, FG Krucken, R Lalkovski, S Liu, Z Maj, A Myalski, S Schwertel, S Shizuma, T Walker, PM Werner-Malento, E Wieland, O AF Steer, S. J. Podolyak, Z. S. Pietri, S. Gorska, M. Farrelly, G. F. Regan, P. H. Rudolph, D. Garnsworthy, A. B. Hoischen, R. Gerl, J. Wollersheim, H. J. Grawe, H. Maier, K. H. Becker, F. Bednarczyk, P. Caceres, L. Doornenbal, P. Geissel, H. Grebosz, J. Kelic, A. Kojouharov, I. Kurz, N. Montes, F. Prokopowicz, W. Saito, T. Schaffner, H. Tashenov, S. Heinz, A. Kurtukian-Nieto, T. Benzoni, G. Pfutzner, M. Jungclaus, A. Balabanski, D. L. Brandau, C. Brown, A. Bruce, A. M. Catford, W. N. Cullen, I. J. Dombradi, Z. S. Estevez, M. E. Gelletly, W. Ilie, G. Jolie, J. Jones, G. A. Kmiecik, M. Kondev, F. G. Kruecken, R. Lalkovski, S. Liu, Z. Maj, A. Myalski, S. Schwertel, S. Shizuma, T. Walker, P. M. Werner-Malento, E. Wieland, O. TI ISOMERIC DECAY STUDIES IN NEUTRON-RICH N approximate to 126 NUCLEI SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS LA English DT Article CT 15th Workshop on Nuclear Physics CY SEP 24-28, 2008 CL Dolny, POLAND ID SPECTROSCOPY; FRAGMENTATION AB Heavy neutron-rich nuclei were populated via relativistic energy fragmentation of a E/A= 1 GeV (208)Pb beam. The nuclei of interest were selected and identified by a fragment separator and then implanted in a passive plastic stopper. Delayed. rays following internal isomeric decays were detected by the RISING array. Experimental information was obtained on a number of nuclei with Z=73-80 (Ta-Hg), providing new information both on the prolate-oblate transitional region as well as on the N=126 closed shell nuclei. C1 [Steer, S. J.; Podolyak, Z. S.; Pietri, S.; Farrelly, G. F.; Regan, P. H.; Garnsworthy, A. B.; Brandau, C.; Brown, A.; Catford, W. N.; Cullen, I. J.; Gelletly, W.; Jones, G. A.; Liu, Z.; Shizuma, T.; Walker, P. M.] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. [Gorska, M.; Gerl, J.; Wollersheim, H. J.; Grawe, H.; Becker, F.; Bednarczyk, P.; Caceres, L.; Doornenbal, P.; Geissel, H.; Grebosz, J.; Kelic, A.; Kojouharov, I.; Kurz, N.; Montes, F.; Prokopowicz, W.; Saito, T.; Schaffner, H.; Tashenov, S.; Werner-Malento, E.] GSI Darmstadt, D-64291 Darmstadt, Germany. [Rudolph, D.; Hoischen, R.] Lund Univ, Dept Phys, S-22100 Lund, Sweden. [Garnsworthy, A. B.; Heinz, A.] Yale Univ, WNSL, New Haven, CT 06520 USA. [Maier, K. H.; Bednarczyk, P.; Grebosz, J.; Kmiecik, M.; Maj, A.; Myalski, S.] Inst Nucl Phys, PL-31342 Krakow, Poland. [Maier, K. H.] Univ W Scotland, Dept Phys, Paisley PA1 2BE, Renfrew, Scotland. [Caceres, L.; Jungclaus, A.] Univ Autonoma Madrid, Dept Fis Teor, Madrid, Spain. [Doornenbal, P.; Ilie, G.; Jolie, J.] Univ Cologne, IKP, D-50937 Cologne, Germany. [Kurtukian-Nieto, T.] Univ Santiago de Compostela, Santiago De Compostela, Spain. [Benzoni, G.; Wieland, O.] Univ Milan, Ist Nazl Fis Nucl, I-20133 Milan, Italy. [Pfutzner, M.] Warsaw Univ, IEP, PL-00681 Warsaw, Poland. [Balabanski, D. L.] Bulgarian Acad Sci, INRNE, BG-1784 Sofia, Bulgaria. [Brown, A.] Michigan State Univ, NSCL, E Lansing, MI 48824 USA. [Bruce, A. M.; Lalkovski, S.] Univ Brighton, Sch Environm & Technol, Brighton BN2 4GJ, E Sussex, England. [Dombradi, Z. S.] Inst Nucl Res, H-4001 Debrecen, Hungary. [Estevez, M. E.] Inst Fis Corpuscular, Valencia, Spain. [Kondev, F. G.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Kruecken, R.; Schwertel, S.] Tech Univ Munich, Phys Dept E12, D-8046 Garching, Germany. RP Steer, SJ (reprint author), Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. RI Gerl, Juergen/A-3255-2011; Wieland, Oliver/G-1784-2011; Dombradi, Zsolt/B-3743-2012; Heinz, Andreas/E-3191-2014; Kurtukian-Nieto, Teresa/J-1707-2014; Bruce, Alison/K-7663-2016; Kruecken, Reiner/A-1640-2013 OI Kurtukian-Nieto, Teresa/0000-0002-0028-0220; Bruce, Alison/0000-0003-2871-0517; Kruecken, Reiner/0000-0002-2755-8042 NR 14 TC 13 Z9 13 U1 0 U2 2 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-3013 J9 INT J MOD PHYS E JI Int. J. Mod. Phys. E-Nucl. Phys. PD APR PY 2009 VL 18 IS 4 BP 1002 EP 1007 PG 6 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 449SV UT WOS:000266351200033 ER PT J AU Baran, A Sheikh, JA Staszczak, A Nazarewicz, W AF Baran, A. Sheikh, J. A. Staszczak, A. Nazarewicz, W. TI FISSION QUADRUPOLE MASS PARAMETERS IN HF plus BCS AND HFB METHODS SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS LA English DT Article CT 15th Workshop on Nuclear Physics CY SEP 24-28, 2008 CL Dolny, POLAND ID HARMONIC-OSCILLATOR BASIS; GROUND-STATE PROPERTIES; HARTREE-FOCK THEORY; EQUATIONS; NUCLEI AB The self-consistent Hartree-Fock+BCS and Hartree-Fock-Bogoliubov methods are compared at large nuclear deformations. The calculations are carried out for the fission pathway and quadrupole mass parameter of (252)Fm. C1 [Baran, A.; Staszczak, A.] Marie Curie Sklodowska Univ, Inst Phys, PL-20031 Lublin, Poland. [Baran, A.; Sheikh, J. A.; Staszczak, A.; Nazarewicz, W.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Baran, A.; Sheikh, J. A.; Staszczak, A.; Nazarewicz, W.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Nazarewicz, W.] Univ Warsaw, Inst Theoret Phys, PL-00681 Warsaw, Poland. RP Baran, A (reprint author), Marie Curie Sklodowska Univ, Inst Phys, Ul Radziszewskiego 10, PL-20031 Lublin, Poland. NR 15 TC 1 Z9 1 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-3013 J9 INT J MOD PHYS E JI Int. J. Mod. Phys. E-Nucl. Phys. PD APR PY 2009 VL 18 IS 4 BP 1049 EP 1053 PG 5 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 449SV UT WOS:000266351200040 ER PT J AU Baran, A Sheikh, JA Nazarewicz, W AF Baran, A. Sheikh, J. A. Nazarewicz, W. TI ADIABATIC MASS PARAMETERS FOR SPONTANEUS FISSION SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS LA English DT Article CT 15th Workshop on Nuclear Physics CY SEP 24-28, 2008 CL Dolny, POLAND ID HARTREE-FOCK THEORY; BOGOLYUBOV APPROXIMATION; COLLECTIVE MOTION AB The collective mass tensor derived from the adiabatic time-dependent Hartree-Fock-Bogoliubov theory, perturbative cranking approximation, and the Gaussian overlap approximation to the generator coordinate method is discussed. Illustrative calculations are carried out for (252)Fm using the nuclear density functional theory with Skyrme interaction SkM* and seniority pairing. C1 [Baran, A.] Marie Curie Sklodowska Univ, Inst Phys, PL-20031 Lublin, Poland. [Baran, A.; Sheikh, J. A.; Nazarewicz, W.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Baran, A.; Sheikh, J. A.; Nazarewicz, W.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Nazarewicz, W.] Univ Warsaw, Inst Theoret Phys, PL-00681 Warsaw, Poland. RP Baran, A (reprint author), Marie Curie Sklodowska Univ, Inst Phys, Ul Radziszewskiego 10, PL-20031 Lublin, Poland. NR 10 TC 2 Z9 2 U1 0 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-3013 J9 INT J MOD PHYS E JI Int. J. Mod. Phys. E-Nucl. Phys. PD APR PY 2009 VL 18 IS 4 BP 1054 EP 1057 PG 4 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 449SV UT WOS:000266351200041 ER PT J AU Furnish, MD Chhabildas, LC Reinhart, WD Trott, WM Vogler, TJ AF Furnish, Michael D. Chhabildas, Lalit C. Reinhart, William D. Trott, Wayne M. Vogler, Tracy J. TI Determination and interpretation of statistics of spatially resolved waveforms in spalled tantalum from 7 to 13 GPa SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Dynamic fracture; Microstructures; Metallic material; Probability and statistics; Plate impact ID PRESSURE; FRACTURE AB A suite of impact experiments was conducted to assess spatial variability in the dynamic properties of tantalum, on length scales of tens of microns to a few millimeters. Two different sample types were used: tantalum processed to yield a uniform refined grain structure (grain size similar to 20 mu m) with a strong axisymmetric (111) crystallo-graphic texture, and tantalum processed to yield an equiaxial structure with grain size similar to 42 mu m. Impact experiments were conducted loading the samples to stress levels from 6 to 12 GPa, which are well above the Hugoniot Elastic Limit (HEL), then pulling the sample into sufficient tension to produce spall. These stress levels were specifically chosen to investigate the spall behavior of tantalum at levels ranging from the incipient spall stage to significantly above the spall strength, focusing on microstructural phenomena. A recently developed spatially resolved velocity interferometer known as the line-imaging VISAR allowed the point-to-point variability of the spall strength to be determined. Specifically, we have been able to determine in real time the nucleation and growth of void defect structures that lead to the eventual spallation or delaminating of the plate. Experiments indicate that the nucleation and growth process is time-dependent and heterogeneous since a time-dependent distribution of defects is measured. This strongly suggests that the spall strength of the material is not a single-valued function. When fitted to Weibull failure statistics, the results indicate a similar mean value and variability for the spall strength of both types of tantalum. The spatial dependence of the material distension of the spalled tantalum is also deduced, in the approximation of uniaxial strain. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Furnish, Michael D.; Chhabildas, Lalit C.; Reinhart, William D.; Trott, Wayne M.; Vogler, Tracy J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Furnish, MD (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mdfurni@sandia.gov RI Vogler, Tracy/B-4489-2009 FU DoD/DOE Munitions Technology Development; Joel House and Michael Nixon of Eglin AFB FX Work at Sandia was supported through the joint DoD/DOE Munitions Technology Development, Program with the collaboration of Joel House and Michael Nixon of Eglin AFB. We also acknowledge Anna Zurek and George T. Gray III from LANL for providing us with the LANL tantalum used in this study and for providing the photo used in Fig. 10. We acknowledge Jaime Castenada and Heidi Anderson for their patient work in preparing targets and the Line VISAR setup. This work was conducted at Sandia National Laboratories. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the US DOE under Contract DE-AC04-94-AL85000. NR 29 TC 13 Z9 13 U1 2 U2 17 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0749-6419 J9 INT J PLASTICITY JI Int. J. Plast. PD APR PY 2009 VL 25 IS 4 BP 587 EP 602 DI 10.1016/j.ijplas.2008.12.007 PG 16 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA 426RW UT WOS:000264726400002 ER PT J AU Colvin, JD Minich, RW Kalantar, DH AF Colvin, Jeffrey D. Minich, Roger W. Kalantar, Daniel H. TI A model for plasticity kinetics and its role in simulating the dynamic behavior of Fe at high strain rates SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Dynamics; Shock waves; Crystal plasticity; Rate-dependent material ID PRESSURE AB The recent diagnostic capability of the Omega laser to study solid-solid phase transitions at pressures greater than 10 GPa and at strain rates exceeding 10(7) s(-1) has also provided valuable information on the dynamic elastic-plastic behavior of materials. We have found, for example, that plasticity kinetics modifies the effective loading and thermodynamic paths of the material. In this paper we derive a kinetics equation for the time-dependent plastic response of the material to dynamic loading, and describe the model's implementation in a radiation-hydrodynamics computer code. This model for plasticity kinetics incorporates the Gilman model for dislocation multiplication and saturation. We discuss the application of this model to the simulation of experimental velocity interferometry data for experiments on Omega in which Fe was shock compressed to pressures beyond the alpha-to-epsilon phase transition pressure. The kinetics model is shown to fit the data reasonably well in this high strain rate regime and further allows quantification of the relative contributions of dislocation multiplication and drag. The sensitivity of the observed signatures to the kinetics model parameters is presented. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Colvin, Jeffrey D.; Minich, Roger W.; Kalantar, Daniel H.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Colvin, JD (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM colvin5@llnl.gov FU University of California; Lawrence Livermore National Laboratory (LLNL) [W-7405-Eng-48]; Laboratory Directed Research and Development [06-ERD-027] FX The authors would like to acknowledge the many useful and enlightening discussions they had with Mukul Kumar of Lawrence Livermore National Laboratory that have enhanced their understanding of plasticity. They would also like to thank Steve Pollaine of Lawrence Livermore National Laboratory for his careful review of this work. This work was performed under the auspices of the U.S. Department of Energy by the University of California, Lawrence Livermore National Laboratory (LLNL) under Contract No. W-7405-Eng-48, and was partially funded by the Laboratory Directed Research and Development Project # 06-ERD-027. NR 16 TC 8 Z9 8 U1 1 U2 2 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0749-6419 J9 INT J PLASTICITY JI Int. J. Plast. PD APR PY 2009 VL 25 IS 4 BP 603 EP 611 DI 10.1016/j.ijplas.2008.12.008 PG 9 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA 426RW UT WOS:000264726400003 ER PT J AU Hayes, DB Gray, GT Hixson, RS Hall, CA Byers, ME Vorthman, JE AF Hayes, D. B. Gray, G. T., III Hixson, R. S. Hall, C. A. Byers, M. E. Vorthman, J. E. TI U-6Nb shear stress relaxation in compression waves (IJP 585-AV) SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Shock wave; Stress relaxation; Twinning; Rate-dependent material; Acoustics ID SHOCK-WAVE; SAPPHIRE; INDEX; GPA AB When uranium alloyed with 6-wt% niobium (U-6Nb) is rapidly compressed in uniaxial strain experiments. shear stress is observed to relax with a characteristic time of 30 +/- 7 ns. In shock wave experiments, this relaxation inhibits the development of an elastic precursor commonly seen in other materials. When U-6Nb is cold-rolled to pre-twin and significantly increase the density of dislocations in the material, stress relaxation effects are diminished suggesting that twinning causes relaxation in the un-worked material. Separate ramp wave compression experiments produce effects that agree with those observed in shock-loading experiments. A phenomenological model is introduced that allows accurate simulation of all experiments. Estimates of residual shear stress after relaxation are obtained. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Hayes, D. B.; Gray, G. T., III; Hixson, R. S.; Hall, C. A.; Byers, M. E.; Vorthman, J. E.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Hayes, DB (reprint author), Los Alamos Natl Lab, POB 1663,MS P952, Los Alamos, NM 87545 USA. EM dennis@nmia.com FU U.S. DOE [DE-AC52-06NA25396] FX We are grateful to Deniece Korzekwa, LANL, to all the members of LANL's fabrication group and to Sandia's Z team for fabrication and execution of this experiment. The authors also acknowledge the contributions of C.M. Cady and M.F. Lopez to the quasi-static mechanical testing. This work was supported by the U.S. DOE under contract DE-AC52-06NA25396. NR 22 TC 2 Z9 2 U1 1 U2 14 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0749-6419 EI 1879-2154 J9 INT J PLASTICITY JI Int. J. Plast. PD APR PY 2009 VL 25 IS 4 SI SI BP 635 EP 648 DI 10.1016/j.ijplas.2008.12.005 PG 14 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA 426RW UT WOS:000264726400005 ER PT J AU Vogler, TJ Ao, T Asay, JR AF Vogler, T. J. Ao, T. Asay, J. R. TI High-pressure strength of aluminum under quasi-isentropic loading SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Stress waves; Constitutive behavior; High-pressure loading ID CONSTITUTIVE MODEL; 6061-T6 ALUMINUM; WAVE-PROPAGATION; COMPRESSION; DEFORMATION; RESHOCK; STRESS; GAUGES; RATES; GPA AB Under shock loading, metals typically increase in strength with shock pressure initially but at higher stresses will eventually soften due to thermal effects. Under isentropic loading, thermal effects are minimized, so strength should rise to much higher levels. To date, though, study of strength under isentropic loading has been minimal. Here, we report new experimental results for magnetic ramp loading and impact by layered impactors in which the strength of 6061-T6 aluminum is measured under quasi-isentropic loading to stresses as high as 55 GPa. Strength is inferred from measured velocity histories using Lagrangian analysis of the loading and unloading responses; strength is related to the difference of these two responses. A simplified method to infer strength directly from a single velocity history is also presented. Measured strengths are consistent with shock loading and instability growth results to about 30 GPa but are somewhat higher than shock data for higher stresses. The current results also agree reasonably well with the Steinberg-Guinan strength model. Significant relaxation is observed as the peak stress is reached due to rate dependence and perhaps other mechanisms; accounting for this rate dependence is necessary for a valid comparison with other results. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Vogler, T. J.; Ao, T.; Asay, J. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Vogler, TJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM tjvogle@sandia.gov RI Vogler, Tracy/B-4489-2009 NR 40 TC 23 Z9 29 U1 2 U2 13 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0749-6419 J9 INT J PLASTICITY JI Int. J. Plast. PD APR PY 2009 VL 25 IS 4 BP 671 EP 694 DI 10.1016/j.ijplas.2008.12.003 PG 24 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA 426RW UT WOS:000264726400007 ER PT J AU Ding, JL Asay, JR AF Ding, J. L. Asay, J. R. TI Numerical study of rate-dependent strength behavior under ramp and shock wave loading SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Ramp wave; Shock wave; Strength; Viscoplasticity; Material dissipation ID COMPRESSION; SOLIDS; METALS AB The main objective of the current study was to gain a detailed understanding on the rate-dependent strength behavior under ramp and shock wave loading. A forward, numerical-simulation-based cause and effect analysis was used to address the research objective. The apparent strength associated with shock and ramp wave loadings with different risetimes and shapes was investigated. It was shown that intrinsic material strength could vary with pressure, temperature, and deformation history, but the apparent strength, which was larger than the intrinsic strength, was a result of the interaction between the rate sensitivity of the strength and the rate of the external loading. The degree of interaction led to different levels of mechanical and thermal dissipations and their partition. which was manifested by different temperature, stress, and deformation histories. The knowledge and foundation established in this study should provide some guidance in the proper interpretation and analysis of the measured wave profiles obtained from ramp and shock wave experiments, instead of simply by trial and error of applying an arbitrary model without a sound physical justification. As also demonstrated in this study, different types and degrees of material dissipations result in much more dramatic changes in temperature than mechanical response. In other words, temperature could provide a direct measurement of material dissipation and provide a distinct signature of the actual material response. This study also shows that by varying the risetimes and/or shapes of ramp waves, different strain rate histories can be produced. Thus, the ramp wave experiment is potentially a very effective tool to investigate the rate sensitivity of material strength. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Ding, J. L.] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. [Asay, J. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Ding, JL (reprint author), Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. EM ding@mme.wsu.edu FU Sandia National Laboratories FX The authors thank Sandia National Laboratories for their support for this work. The interaction with the members of the Shock & Z-Pinch Department of Sandia has been rewarding and productive. 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. NR 20 TC 7 Z9 7 U1 1 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0749-6419 J9 INT J PLASTICITY JI Int. J. Plast. PD APR PY 2009 VL 25 IS 4 BP 695 EP 714 DI 10.1016/j.ijplas.2008.12.002 PG 20 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA 426RW UT WOS:000264726400008 ER PT J AU Kerr, LL Pan, YL Dinwiddie, RB Wang, H Peterson, RC AF Kerr, Lei L. Pan, Yun-Long Dinwiddie, Ralph B. Wang, Hsin Peterson, Robert C. TI Thermal Conductivity of Coated Paper SO INTERNATIONAL JOURNAL OF THERMOPHYSICS LA English DT Article DE Coated paper; Heat transfer; Hot disk; Thermal conductivity AB In this article, a method for measuring the thermal conductivity of paper using a hot disk system is introduced. To the best of our knowledge, few publications are found discussing the thermal conductivity of a coated paper, although it is important to various forms of today's digital printing where heat is used for imaging, as well as for toner fusing. This motivated an investigation of the thermal conductivity of paper coating. This study demonstrates that the thermal conductivity is affected by the coating mass and the changes in the thermal conductivity affect toner gloss and density. As the coating mass increases, the thermal conductivity increases. Both the toner gloss and density decrease as the thermal conductivity increases. The toner gloss appears to be more sensitive to the changes in the thermal conductivity. C1 [Kerr, Lei L.; Peterson, Robert C.] Miami Univ, Dept Paper & Chem Engn, Oxford, OH 45056 USA. [Pan, Yun-Long] Smart Papers, Hamilton, OH 45013 USA. [Dinwiddie, Ralph B.; Wang, Hsin] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Kerr, LL (reprint author), Miami Univ, Dept Paper & Chem Engn, Oxford, OH 45056 USA. EM kerrll@muohio.edu RI Wang, Hsin/A-1942-2013 OI Wang, Hsin/0000-0003-2426-9867 FU Shoupp Award at Miami University; Assistant Secretary for Energy Efficiency and Renewable Energy; Office of FreedomCAR; Vehicle Technologies; U.S. Department of Energy [DE-AC05-00OR22725] FX This work is funded by the Shoupp Award at Miami University. This research is also sponsored by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of FreedomCAR and Vehicle Technologies, as part of the High Temperature Materials Laboratory User Program, Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract number DE-AC05-00OR22725. NR 4 TC 3 Z9 3 U1 0 U2 5 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0195-928X J9 INT J THERMOPHYS JI Int. J. Thermophys. PD APR PY 2009 VL 30 IS 2 BP 572 EP 579 DI 10.1007/s10765-009-0565-7 PG 8 WC Thermodynamics; Chemistry, Physical; Mechanics; Physics, Applied SC Thermodynamics; Chemistry; Mechanics; Physics GA 428JE UT WOS:000264843000015 ER PT J AU Yang, ZG AF Yang, Zhenguo Gary TI Advanced Materials for a Sustainable, Clean Energy Future SO JOM LA English DT Editorial Material C1 [Yang, Zhenguo Gary] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 J9 JOM-US JI JOM PD APR PY 2009 VL 61 IS 4 BP 35 EP 35 PG 1 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 445GK UT WOS:000266038200006 ER PT J AU Liu, W King, D Liu, J Johnson, B Wang, Y Yang, ZG AF Liu, Wei King, David Liu, Jun Johnson, Brad Wang, Yong Yang, Zhenguo TI Critical Material and Process Issues for CO2 Separation from Coal-Powered Plants SO JOM LA English DT Article ID PRESSURE SWING ADSORPTION; CHEMICAL-LOOPING COMBUSTION; CARBON-DIOXIDE CAPTURE; EXCHANGED ZSM-5 ZEOLITES; CALCIUM-BASED SORBENTS; FLUE-GAS; TEMPERATURE; MEMBRANES; RECOVERY; REGENERATION AB Concentrating CO2 from the dilute coal combustion or gasification gas stream to a level suitable for sequestration purposes represents a major cost factor to curtail CO2 emissions by capture and sequestration. This paper provides a short review of CO2 capture incentives, current separation processes, and research progress of various new technologies. Scientifically, CO2 can be separated from a gas mixture by all the methods reviewed in this work: distillation, absorption, adsorption, gas/solid reaction, membrane, electrochemical pump, hydrate formation, etc. The challenge lies in practical feasibility and ultimately the cost. Important material issues and their impacts to the process viability will be discussed. C1 [Liu, Wei; King, David; Liu, Jun; Johnson, Brad; Wang, Yong; Yang, Zhenguo] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Liu, W (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM wei.liu@pnl.gov RI Wang, Yong/C-2344-2013 FU PNNL Energy Conversion Initiative FX This work is supported by the PNNL Energy Conversion Initiative. NR 44 TC 23 Z9 23 U1 1 U2 33 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 J9 JOM-US JI JOM PD APR PY 2009 VL 61 IS 4 BP 36 EP 44 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 445GK UT WOS:000266038200007 ER PT J AU Osborn, W Markmaitree, T Shaw, LL Ren, RM Hu, JZ Kwak, JH Yang, ZG AF Osborn, William Markmaitree, Tippawan Shaw, Leon L. Ren, Ruiming Hu, Jianzhi Kwak, Ja Hun Yang, Zhenguo TI Solid-State Hydrogen Storage: Storage Capacity, Thermodynamics, and Kinetics SO JOM LA English DT Article ID N-H SYSTEMS; X-RAY-DIFFRACTION; MECHANICAL ACTIVATION; LITHIUM HYDRIDE; H-2 STORAGE; REACTION PATHWAY; METAL-HYDRIDES; DEHYDRIDING REACTION; COMPLEX HYDRIDES; DEHYDROGENATION AB Solid-state reversible hydrogen storage systems hold great promise for on-board applications. The key criteria for a successful solid-state reversible storage material are high storage capacity, suitable thermodynamic properties, and fast hydriding and dehydriding kinetics. The LiNH(2) + LiH system has been utilized as an example system to illustrate these critical issues that are common among other solid-state reversible storage materials. The progress made in thermodynamic destabilization and kinetic enhancements via various approaches are emphasized. The implications of these advancements in the development of future solid-state reversible hydrogen storage materials are discussed. C1 [Osborn, William; Markmaitree, Tippawan; Shaw, Leon L.] Univ Connecticut, Dept Chem Mat & Biomol Engn, Storrs, CT 06269 USA. [Ren, Ruiming] Dalian Jiaotong Univ, Sch Mat Sci & Engn, Dalian, Peoples R China. [Hu, Jianzhi; Kwak, Ja Hun; Yang, Zhenguo] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Osborn, W (reprint author), Univ Connecticut, Dept Chem Mat & Biomol Engn, Storrs, CT 06269 USA. EM leon.shaw@uconn.edu RI Hu, Jian Zhi/F-7126-2012; Osborn, Will/G-4526-2012; Kwak, Ja Hun/J-4894-2014 FU U.S. Department of Energy (DOE) [DE-FC36-05GO15008] FX This work was supported under the U.S. Department of Energy (DOE) Contract No. DE-FC36-05GO15008. The vision and support of Drs. Carole J. Read and Ned T. Stetson, DOE Technology Managers, are greatly appreciated. NR 99 TC 9 Z9 9 U1 0 U2 15 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 J9 JOM-US JI JOM PD APR PY 2009 VL 61 IS 4 BP 45 EP 51 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 445GK UT WOS:000266038200008 ER PT J AU Shin, TJ Lee, B Lee, J Jin, S Sung, BS Han, YS Lee, CH Stein, RS Ree, M AF Shin, Tae Joo Lee, Byeongdu Lee, Jinwon Jin, Sangwoo Sung, Baik Shuk Han, Young Soo Lee, Chang-Hee Stein, Richard S. Ree, Moonhor TI Small-angle neutron scattering study of the miscibility of metallocene-catalyzed octene linear low-density polyethylene and low-density polyethylene blends SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID X-RAY-SCATTERING; ORGANOSILICATE DIELECTRIC FILMS; CHAIN-BRANCHED POLYETHYLENES; LIQUID PHASE-SEPARATION; THIN-FILMS; CRYSTALLIZATION BEHAVIOR; RHEOLOGICAL PROPERTIES; STRUCTURAL EVOLUTION; POLYMER BLENDS; M-LLDPE AB Small-angle neutron scattering (SANS) analysis was performed to investigate the miscibility of blends of metallocene-catalyzed octene linear low-density polyethylene (octene-mLLDPE) and low-density polyethylene (LDPE). The quantitative SANS analysis found that the blends are miscible in both the melt and the quenched states. Moreover, this analysis confirmed that the radii of gyration of octene- mLLDPE(D) and LDPE(H) remain unchanged in the quenched state and that the two polymer components cocrystallize via fast crystallization from the melt state. C1 [Shin, Tae Joo; Lee, Jinwon; Jin, Sangwoo; Ree, Moonhor] Pohang Univ Sci & Technol, Ctr Elect Photo Behav Adv Mol Syst, Dept Chem,Pohang Accelerator Lab, Polymer Res In,Natl Res Lab Polymer Synth & Phys,, Pohang 790784, South Korea. [Shin, Tae Joo; Lee, Jinwon; Jin, Sangwoo; Ree, Moonhor] Pohang Univ Sci & Technol, BK Sch Mol Sci, Pohang 790784, South Korea. [Lee, Byeongdu] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Sung, Baik Shuk; Han, Young Soo; Lee, Chang-Hee] HANARO Ctr, Korea Atom Energy Res Inst, Taejon 305600, South Korea. [Stein, Richard S.] Univ Massachusetts, Polymer Res Inst, Amherst, MA 01003 USA. [Stein, Richard S.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. RP Ree, M (reprint author), Pohang Univ Sci & Technol, Ctr Elect Photo Behav Adv Mol Syst, Dept Chem,Pohang Accelerator Lab, Polymer Res In,Natl Res Lab Polymer Synth & Phys,, Pohang 790784, South Korea. EM ree@postech.edu RI Ree, Moonhor/F-5347-2013; Shin, Tae Joo/R-7434-2016; OI Shin, Tae Joo/0000-0002-1438-3298; Lee, Byeongdu/0000-0003-2514-8805 NR 73 TC 5 Z9 5 U1 0 U2 6 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD APR PY 2009 VL 42 BP 161 EP 168 DI 10.1107/S0021889809002854 PG 8 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 420MB UT WOS:000264292800002 ER PT J AU Colip, LA Koppisch, AT Broene, RD Berger, JA Baldwin, SM Harris, MN Peterson, LJ Warner, BP Birnbaum, ER AF Colip, Leslie A. Koppisch, Andrew T. Broene, Richard D. Berger, Jennifer A. Baldwin, Sharon M. Harris, Michael N. Peterson, Lori J. Warner, Benjamin P. Birnbaum, Eva R. TI A rapid method for quantifying heavy atom derivatives for multiple isomorphous replacement in protein crystallography SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID X-RAY-FLUORESCENCE; ELEMENT; MICROPIXE; CRYSTALS AB A rapid and simple X-ray fluorescence-based method is reported for characterizing heavy atom derivatives of proteins for protein crystallography using multiple isomorphous replacement (MIR). MIR is a widely used technique for solving protein crystallographic structures which requires that a 'heavy atom' be incorporated into the protein to provide a strong signal in the diffraction pattern. Current methods for determining the effectiveness of these protein heavy atom reactions are not always successful. In contrast, X-ray fluorescence quickly determines the presence of heavy atom modifications of proteins and the stoichiometry of these C1 [Colip, Leslie A.; Berger, Jennifer A.; Baldwin, Sharon M.; Harris, Michael N.; Peterson, Lori J.; Warner, Benjamin P.; Birnbaum, Eva R.] Caldera Pharmaceut Inc, Los Alamos, NM 87544 USA. [Koppisch, Andrew T.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Broene, Richard D.] Bowdoin Coll, Brunswick, ME 04011 USA. RP Birnbaum, ER (reprint author), Caldera Pharmaceut Inc, 278 DP Rd,Suite D, Los Alamos, NM 87544 USA. EM eva@cpsci.com NR 25 TC 0 Z9 0 U1 0 U2 2 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD APR PY 2009 VL 42 BP 329 EP 332 DI 10.1107/S0021889809000077 PN 2 PG 4 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 420MB UT WOS:000264292800026 ER PT J AU Ilavsky, J Jemian, PR AF Ilavsky, Jan Jemian, Peter R. TI Irena: tool suite for modeling and analysis of small-angle scattering SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Software Review ID X-RAY-SCATTERING; PARTICLE-SIZE DISTRIBUTIONS; ENTROPY IMAGE-RECONSTRUCTION; THERMAL BARRIER COATINGS; MAXIMUM-ENTROPY; ANOMALOUS-SCATTERING; HARD SPHERES; FORM-FACTOR; NEUTRON; SILICA AB Irena, a tool suite for analysis of both X-ray and neutron small-angle scattering (SAS) data within the commercial Igor Pro application, brings together a comprehensive suite of tools useful for investigations in materials science, physics, chemistry, polymer science and other fields. In addition to Guinier and Porod fits, the suite combines a variety of advanced SAS data evaluation tools for the modeling of size distribution in the dilute limit using maximum entropy and other methods, dilute limit small-angle scattering from multiple non-interacting populations of scatterers, the pair-distance distribution function, a unified fit, the Debye-Bueche model, the reflectivity (X-ray and neutron) using Parratt's formalism, and small-angle diffraction. There are also a number of support tools, such as a data import/export tool supporting a broad sampling of common data formats, a data modification tool, a presentation-quality graphics tool optimized for small-angle scattering data, and a neutron and X-ray scattering contrast calculator. These tools are brought together into one suite with consistent interfaces and functionality. The suite allows robust automated note recording and saving of parameters during export. C1 [Ilavsky, Jan; Jemian, Peter R.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Ilavsky, J (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ilavsky@aps.anl.gov RI Ilavsky, Jan/D-4521-2013; USAXS, APS/D-4198-2013 OI Ilavsky, Jan/0000-0003-1982-8900; NR 73 TC 416 Z9 418 U1 8 U2 109 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD APR PY 2009 VL 42 BP 347 EP 353 DI 10.1107/S0021889809002222 PG 7 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 420MB UT WOS:000264292800031 ER PT J AU Abes, M Atkinson, D Tanner, BK Charlton, T Langridge, S Hase, TPA Ali, M Marrows, CH Neudert, A Hicken, RJ Mirone, A Arena, D AF Abes, M. Atkinson, D. Tanner, B. K. Charlton, T. Langridge, S. Hase, T. P. A. Ali, M. Marrows, C. H. Neudert, A. Hicken, R. J. Mirone, A. Arena, D. TI The spin polarization of Mn atoms in paramagnetic CuMn alloys induced by a Co layer SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID MULTILAYERS; REFLECTIVITY; SPINTRONICS; SCATTERING; EDGES AB Using the surface, interface, and element specificity of x-ray resonant magnetic scattering in combination with x-ray magnetic circular dichroism, we have spatially resolved the polarization, and hence the spin accumulation in Mn high susceptibility material in close proximity to a ferromagnetic layer. The magnetic polarization of Mn and Cu 3d electrons in paramagnetic CuMn layers is detected in a Co/Cu(x)/CuMn structure for varying copper layer thicknesses (x). The size of the Mn and Cu L(2-3)-edge dichroism shows a decrease in the polarization for increasing copper thickness indicating the dominant interfacial nature of the Cu and Mn spin polarization. The Mn polarization appears to be much higher than that of Cu. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3063065] C1 [Abes, M.; Atkinson, D.; Tanner, B. K.] Univ Durham, Dept Phys, Durham DH1 3LE, England. [Charlton, T.; Langridge, S.] Rutherford Appleton Lab, ISIS, Didcot OX11 0QX, Oxon, England. [Hase, T. P. A.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. [Ali, M.; Marrows, C. H.] Univ Leeds, Dept Phys & Astron, Leeds LS2 9JT, W Yorkshire, England. [Neudert, A.; Hicken, R. J.] Univ Exeter, Sch Phys, Exeter EX4 4QL, Devon, England. [Mirone, A.] European Synchrotron Radiat Facil, F-38043 Grenoble, France. [Arena, D.] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Abes, M (reprint author), Univ Durham, Dept Phys, Durham DH1 3LE, England. EM madjid.abes@durham.ac.uk RI Marrows, Christopher/D-7980-2011; Neudert, Andreas/H-1798-2012; OI Marrows, Christopher/0000-0003-4812-6393; Langridge, Sean/0000-0003-1104-0772 NR 10 TC 2 Z9 2 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07C703 DI 10.1063/1.3063065 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500451 ER PT J AU Alsmadi, AM Alyones, S Mielke, CH McDonald, RD Zapf, V Altarawneh, MM Lacerda, A Chang, S Adak, S Kothapalli, K Nakotte, H AF Alsmadi, A. M. Alyones, S. Mielke, C. H. McDonald, R. D. Zapf, V. Altarawneh, M. M. Lacerda, A. Chang, S. Adak, S. Kothapalli, K. Nakotte, H. TI Complex conductivity of UTX compounds in high magnetic fields SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID GIANT MAGNETORESISTANCE; PHASE-TRANSITIONS; UNIGE; PRESSURE AB We have performed rf-skin depth (complex-conductivity) and magnetoresistance measurements of antiferromagnetic UTX compounds (T=Ni and X=Al, Ga, Ge) in applied magnetic fields up to 60 T applied parallel to the easy directions. The rf penetration depth was measured by coupling the sample to the inductive element of a resonant tank circuit and then, measuring the shifts in the resonant frequency Delta f of the circuit. Shifts in the resonant frequency Delta f are known to be proportional to the skin depth of the sample and we find a direct correspondence between the features in Delta f and magnetoresistance. Several first-order metamagnetic transitions, which are accompanied by a drastic change in Delta f, were observed in these compounds. In general, the complex-conductivity results are consistent with magnetoresistance data. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3063068] C1 [Alsmadi, A. M.; Alyones, S.] Hashemite Univ, Dept Phys, Zarqa 13115, Jordan. [Mielke, C. H.; McDonald, R. D.; Zapf, V.; Altarawneh, M. M.] Los Alamos Natl Lab, Natl High Magnet Field Lab, Pulsed Field Facil, Los Alamos, NM 87545 USA. [Chang, S.] Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Adak, S.; Kothapalli, K.; Nakotte, H.] New Mexico State Univ, Dept Phys, Las Cruces, NM 88003 USA. RP Alsmadi, AM (reprint author), Hashemite Univ, Dept Phys, Zarqa 13115, Jordan. EM alsmadi_abd@yahoo.com RI Adak, Sourav /G-3080-2010; McDonald, Ross/H-3783-2013; Zapf, Vivien/K-5645-2013; OI McDonald, Ross/0000-0002-0188-1087; Zapf, Vivien/0000-0002-8375-4515; Mcdonald, Ross/0000-0002-5819-4739 NR 19 TC 1 Z9 1 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07E108 DI 10.1063/1.3063068 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500639 ER PT J AU Anders, A Yushkov, GY AF Anders, Andre Yushkov, Georgy Yu. TI Plasma "anti-assistance" and "self-assistance" to high power impulse magnetron sputtering SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID GAS RAREFACTION; AFTERGLOW PLASMA; DEPOSITION; DISCHARGE; SYSTEM; DECAY; SIMULATION; EVOLUTION; DENSITIES; ARGON AB A plasma assistance system was investigated with the goal to operate high power impulse magnetron sputtering (HiPIMS) at lower pressure than usual, thereby to enhance the utilization of the ballistic atoms and ions with high kinetic energy in the film growth process. Gas plasma flow from a constricted plasma source was aimed at the magnetron target. Contrary to initial expectations, such plasma assistance turned out to be contraproductive because it led to the extinction of the magnetron discharge. The effect can be explained by gas rarefaction. A better method of reducing the necessary gas pressure is operation at relatively high pulse repetition rates where the afterglow plasma of one pulse assists in the development of the next pulse. Here we show that this method, known from medium-frequency (MF) pulsed sputtering, is also very important at the much lower pulse repetition rates of HiPIMS. A minimum in the possible operational pressure is found in the frequency region between HiPIMS and MF pulsed sputtering. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3097390] C1 [Anders, Andre] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Yushkov, Georgy Yu.] Russian Acad Sci, Inst High Current Elect, Tomsk 634055, Russia. RP Anders, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM aanders@lbl.gov RI Anders, Andre/B-8580-2009; Yushkov, Georgy/O-8024-2015 OI Anders, Andre/0000-0002-5313-6505; Yushkov, Georgy/0000-0002-7615-6058 FU U. S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the U. S. Department of Energy, Initiatives for Proliferation Prevention, under Contract No. DE-AC02-05CH11231 with the Lawrence Berkeley National Laboratory. NR 38 TC 24 Z9 25 U1 2 U2 20 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 073301 DI 10.1063/1.3097390 PG 6 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500009 ER PT J AU Arenholz, E Schmehl, A Schlom, DG van der Laan, G AF Arenholz, E. Schmehl, A. Schlom, D. G. van der Laan, G. TI Contribution of Eu 4f states to the magnetic anisotropy of EuO SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID X-RAY DICHROISM; ABSORPTION-SPECTRA AB Anisotropic x-ray magnetic linear dichroism (AXMLD) provides a novel element-, site-, shell-, and symmetry-selective techniques to study the magnetic anisotropy induced by a crystalline electric field. The weak Eu(2+) M(4,5) AXMLD observed in EuO(001) indicates that the Eu 4f states are not rotationally invariant and hence contribute weakly to the magnetic anisotropy of EuO. The results are contrasted with those obtained for 3d transition metal oxides. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3054364] C1 [Arenholz, E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. [Schmehl, A.] Univ Augsburg, Inst Phys, D-8900 Augsburg, Germany. [Schlom, D. G.] Cornell Univ, Dept Mat Sci & Engn, Ithaca, NY 14853 USA. [van der Laan, G.] Diamond Light Source, Didcot OX11 0DE, Oxon, England. RP Arenholz, E (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. EM earenholz@ibl.gov RI Schlom, Darrell/J-2412-2013; van der Laan, Gerrit/Q-1662-2015 OI Schlom, Darrell/0000-0003-2493-6113; van der Laan, Gerrit/0000-0001-6852-2495 NR 21 TC 5 Z9 5 U1 0 U2 16 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07E101 DI 10.1063/1.3054364 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500632 ER PT J AU Botello-Zubiate, ME Ayala-Valenzuela, OE Matutes-Aquino, JA Jaime, M AF Botello-Zubiate, M. E. Ayala-Valenzuela, O. E. Matutes-Aquino, J. A. Jaime, M. TI Magnetic field-dependent resistance measurements in the superconducting ferromagnet (Ru(1-x)Nbx)Sr2Eu1.4Ce0.6Cu2O10 SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID RUSR2EU1.5CE0.5CU2O10-DELTA AB Polycrystalline samples of Ru1-xNbxSr2Eu1.4Ce0.6Cu2O10-delta(x = 0, 0.2, 0.4, 0.6, 0.8,1) were prepared by conventional solid state reaction using stoichiometric amounts of high purity RuO2, Nb2O5, SrCO3, Eu2O3, CeO2, and CuO powders. The phase evolution during the solid state reaction was followed by x-ray diffraction and randomly oriented particles in laminates form with a size between 1-3 mu m were observed by scanning electron microscopy. Temperature-dependent resistance measurements were made with applied magnetic fields of 0, 2, 5, 10, and 15 T. All compositions except x = 1 were superconducting without applied magnetic field for the lowest measuring temperatures. Onset, intergrain and intragrain transition, and T-R=0 transition temperatures were determined. These critical temperatures depend on Nb content, microstructure, and applied magnetic field. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3070616] C1 [Botello-Zubiate, M. E.; Ayala-Valenzuela, O. E.; Matutes-Aquino, J. A.] Ctr Invest Mat Avanzados, Dept Fis Mat, Chihuahua, Mexico. [Jaime, M.] Los Alamos Natl Lab, NHMFL, Los Alamos, NM USA. RP Botello-Zubiate, ME (reprint author), Ctr Invest Mat Avanzados, Dept Fis Mat, Chihuahua, Mexico. EM eugenia.botello@cimav.edu.mx RI Jaime, Marcelo/F-3791-2015 OI Jaime, Marcelo/0000-0001-5360-5220 NR 6 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07E314 DI 10.1063/1.3070616 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500675 ER PT J AU Chaudhury, RP Lorenz, B Wang, YQ Sun, YY Chu, CW Ye, F Fernandez-Baca, J Mook, H Lynn, J AF Chaudhury, R. P. Lorenz, B. Wang, Y. Q. Sun, Y. Y. Chu, C. W. Ye, F. Fernandez-Baca, J. Mook, H. Lynn, J. TI Re-entrant spiral magnetic order and ferroelectricity in Mn(1-x)FexWO(4) (x=0.035) SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc AB We report the observation of a re-entrant spiral (noncollinear) magnetic order and ferroelectricity below 6 K in Mn0.965Fe0.035WO4 under applied magnetic fields above 3.6 T. At zero field, this compound shows a transition into the spiral magnetic and ferroelectric phase at 12 K, and it becomes paraelectric at 10.5 K with the entrance into the commensurate magnetic phase, which is the ground state at H=0. Under magnetic field above 3.6 T, however, the spiral magnetic phases with a larger FE polarization reappears below 6 K. The re-entrant magnetic/ferroelectric phase behavior is further studied by single crystal neutron scattering and the H-T phase diagram is completely resolved from neutron, dielectric constant, polarization, and magnetic measurements. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3079865] C1 [Chaudhury, R. P.; Lorenz, B.; Wang, Y. Q.; Sun, Y. Y.; Chu, C. W.] Univ Houston, Dept Phys, Houston, TX 77204 USA. [Chaudhury, R. P.; Lorenz, B.; Wang, Y. Q.; Sun, Y. Y.; Chu, C. W.] Univ Houston, TCSUH, Houston, TX 77204 USA. [Chu, C. W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Chu, C. W.] Hong Kong Univ Sci & Technol, Hong Kong, Hong Kong, Peoples R China. [Ye, F.; Fernandez-Baca, J.; Mook, H.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Lynn, J.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. RP Chaudhury, RP (reprint author), Univ Houston, Dept Phys, Houston, TX 77204 USA. EM rajit.chaudhury@mail.uh.edu RI Ye, Feng/B-3210-2010 OI Ye, Feng/0000-0001-7477-4648 NR 7 TC 3 Z9 3 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07D913 DI 10.1063/1.3079865 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500625 ER PT J AU Di, ZF Wang, YQ Nastasi, M Theodore, ND AF Di, Zengfeng Wang, Yongqiang Nastasi, Michael Theodore, N. David TI Evolution of implantation induced damage under further ion irradiation: Influence of damage type SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID TRANSMISSION ELECTRON-MICROSCOPY; HYDROGEN-VACANCY DEFECTS; A-C-H; CRYSTALLINE SILICON; ENHANCED DIFFUSION; INDUCED PLATELETS; LOW-TEMPERATURES; HEAVY-IONS; SI; BEAM AB The evolution of damage in silicon formed by H, He, and Si ion implantations under further ion irradiation, where the ion energy is primarily deposited into electronic excitation, has been studied at 77 K and at room temperature. For damage introduced by He or Si ion implantation, which primarily consists of vacancy and interstitial type defects, a subsequent irradiation with 110 keV protons at room temperature results in a decrease in ion channeling direct backscattering yield, while no change is observed when the irradiation is carried out at 77 K. In contrast, H ion implantation damage, which mainly consists of H-stabilized defects, is observed to increase under the same following on 110 keV proton irradiation at both room temperature and 77 K. The differences in damage evolutions can be used to construct a coherent picture of how energy deposited into electronic processes affects defect dissociation, migration, and reconstruction and the final damage morphology. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3086313] C1 [Di, Zengfeng; Wang, Yongqiang; Nastasi, Michael] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Theodore, N. David] Freescale Semicond Inc, Silicon Technol Solut, Tempe, AZ 85284 USA. RP Di, ZF (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM dizengfeng@hotmail.com RI di, zengfeng/B-1684-2010 FU Director's Postdoctoral Fellowship at Los Alamos National Laboratory; Department of Energy, Office of Basic Energy Science FX We are grateful for discussions with Lin Shao and JungKun Lee. Z. Di is supported by the Director's Postdoctoral Fellowship at Los Alamos National Laboratory. This work is supported by the Department of Energy, Office of Basic Energy Science. NR 76 TC 5 Z9 5 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 074904 DI 10.1063/1.3086313 PG 9 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500103 ER PT J AU Eisenbach, M Stocks, GM AF Eisenbach, Markus Stocks, G. Malcolm TI Invar effect and noncollinear magnetism in FeCu alloys SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID PRINCIPLES SPIN DYNAMICS AB The Invar effect has been observed in many Fe rich alloys, most famously Ni Invar. Generally the Invar behavior is associated with the strong coupling between the lattice and magnetic degrees of freedom, and therefore depends on the magnetic ordering in these alloys. Recent experimental works observed an Invar effect in fcc-FeCu solid solutions [Gorria et al., Phys. Rev. B 69, 214421 (2004)]. In the present paper the magnetic states of fcc-FeCu solid solutions for various concentrations are investigated. The first principles calculations employ the locally self-consistent multiple scattering real space method for solving the local-density approximation Kohn-Sham equation to investigate the noncollinear ordering of magnetic moments. The magnetic order for the low iron concentration is found to be noncollinear, spin glasslike, and the ferromagnetic order is not stable, whereas for the iron rich alloys for the ground state equilibrium lattice constants a magnetic order with parallel aligned Fe moments is stable. In this configuration the induced moments at the Cu sites order nontrivially on a cone with an opening of approximately 40 around the Fe moment direction. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3063070] C1 [Eisenbach, Markus] Oak Ridge Natl Lab, Natl Ctr Computat Sci, Oak Ridge, TN 37830 USA. [Stocks, G. Malcolm] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37830 USA. RP Eisenbach, M (reprint author), Oak Ridge Natl Lab, Natl Ctr Computat Sci, Oak Ridge, TN 37830 USA. EM eisenbachm@ornl.gov RI Stocks, George Malcollm/Q-1251-2016; OI Stocks, George Malcollm/0000-0002-9013-260X; Eisenbach, Markus/0000-0001-8805-8327 NR 21 TC 2 Z9 3 U1 1 U2 14 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07E509 DI 10.1063/1.3063070 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500696 ER PT J AU Gruen, DM Bruno, P Arenal, R Routbort, J Singh, D Xie, M AF Gruen, D. M. Bruno, P. Arenal, R. Routbort, J. Singh, D. Xie, M. TI Thermoelectric power factors of nanocarbon ensembles as a function of temperature SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ELECTRONIC-STRUCTURE; GRAPHITE; CARBON; DIAMOND; BORON AB Thermoelectric power factors of nanocarbon ensembles have been determined as a function of temperature from 400 to 1200 K. The ensembles, composed of mixtures of nanographite or disperse ultrananocrystalline diamond with B(4)C, are formed into mechanically rigid compacts by reaction at 1200 K with methane gas and subsequently annealed in an argon atmosphere at temperatures up to 2500 K. The ensembles were characterized using scanning electron microscopy, Raman, x-ray diffraction, and high resolution transmission electron microscopy techniques and found to undergo profound nanostructural changes as a function of temperature while largely preserving their nanometer sizes. The power factors increase strongly both as a function of annealing temperature and of the temperature at which the measurements are carried out reaching 1 mu W/K(2) cm at 1200 K without showing evidence of a plateau. Density functional "molecular analog" calculations on systems based on stacked graphene sheets show that boron substitutional doping results in a lowering of the Fermi level and the creation of a large number of hole states within thermal energies of the Fermi level [P.C. Redfern, D.M. Greun, and L.A. Curtiss, Chem. Phys. Lett. 471, 264 (2009)]. We propose that enhancement of electronic configurational entropy due to the large number of boron configurations in the graphite lattice contributes to the observed thermoelectric properties of the ensembles. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3103244] C1 [Gruen, D. M.; Bruno, P.; Arenal, R.; Xie, M.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Arenal, R.] Off Natl Etud & Rech Aerosp, CNRS, Lab Etude Microstruct, F-92322 Chatillon, France. [Routbort, J.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Singh, D.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Xie, M.] Michigan Technol Univ, Dept Phys, Houghton, MI 49931 USA. RP Gruen, DM (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dmgruen@anl.gov RI xie, ming/A-1438-2012; bruno, paola/G-5786-2011; Arenal, Raul/D-2065-2009 OI Arenal, Raul/0000-0002-2071-9093 FU U. S. Department of Energy, Office of Basic Energy Science; Energy Efficiency Renewable Energy, Office of Vehicle Technologies [DE-AC02-06CH11357] FX This work was performed under the auspices of the U. S. Department of Energy, Office of Basic Energy Science and Energy Efficiency Renewable Energy, Office of Vehicle Technologies, under Contract No. DE-AC02-06CH11357 at Argonne National Laboratory, managed by the University of Chicago, LLC. The authors are grateful to Dr. Hsin Wang and Dr. Wallace Porter at the High-Temperature Material Laboratory at ORNL for measuring the thermal conductivity and to Dr. Eric J. Wuchina at the Naval Surface Warface Center for the anneals at temperatures higher than 1700 K. Furthermore, they acknowledge ANL's Electron Microscopy Center for the use of their facilities. NR 19 TC 3 Z9 4 U1 1 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 073710 DI 10.1063/1.3103244 PG 10 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500041 ER PT J AU Iwata, JM Chopdekar, RV Wong, FJ Nelson-Cheeseman, BB Arenholz, E Suzuki, Y AF Iwata, Jodi M. Chopdekar, Rajesh V. Wong, Franklin J. Nelson-Cheeseman, Brittany B. Arenholz, Elke Suzuki, Yuri TI Enhanced magnetization of CuCr2O4 thin films by substrate-induced strain SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID OXIDES AB The first synthesis of epitaxial spinel CuCr2O4 thin films is reported, which exhibit enhanced magnetization in excess of 200% of the accepted bulk value when grown on single-crystal (110) MgAl2O4 substrates. Bulk CuCr2O4 is a ferrimagnetic insulator with a low net magnetic moment of 0.5 mu(B) due to its tetragonal unit cell with a c/a ratio of 1.29 and frustrated moment configuration. It is shown that through epitaxial growth and substrate-induced strain, it is possible to enhance the magnetization of these films by reducing the tetragonality of its unit cell which, in turn, effectively decreases magnetic moment frustration allowing for a greater net moment. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3058612] C1 [Iwata, Jodi M.; Chopdekar, Rajesh V.; Wong, Franklin J.; Nelson-Cheeseman, Brittany B.; Suzuki, Yuri] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Chopdekar, Rajesh V.] Cornell Univ, Dept Appl Phys, Ithaca, NY 14853 USA. [Arenholz, Elke] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Iwata, JM (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM jiwata@berkeley.edu RI Chopdekar, Rajesh/D-2067-2009 OI Chopdekar, Rajesh/0000-0001-6727-6501 NR 11 TC 6 Z9 6 U1 0 U2 22 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07A905 DI 10.1063/1.3058612 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500230 ER PT J AU Johnson, PR Della Torre, E Bennett, LH Watson, RE AF Johnson, P. R. Della Torre, E. Bennett, L. H. Watson, R. E. TI Nonequilibrium quantum dynamics in ferromagnetic nanoparticles: Conditions for Bose-Einstein condensation SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID MAGNONS; TLCUCL3 AB Nanoparticles provide a system where the nonequilibrium dynamics of magnons can be engineered, varied, and studied over many orders of magnitude. This paper describes the conditions for quasiequilibrium phases with either more or less magnons than predicted by Bloch's law, including, if certain conditions hold, a Bose-Einstein condensate phase whose existence should strongly depend on system size. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3067857] C1 [Johnson, P. R.] American Univ, Dept Phys, Washington, DC 20016 USA. [Della Torre, E.; Bennett, L. H.] George Washington Univ, Sch Engn & Appl Sci, Washington, DC 20052 USA. [Watson, R. E.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Johnson, PR (reprint author), American Univ, Dept Phys, Washington, DC 20016 USA. EM pjohnson@american.edu NR 18 TC 2 Z9 2 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07E115 DI 10.1063/1.3067857 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500646 ER PT J AU Kothapalli, K Nasreen, F Peterson, J Nakotte, H El-Khatib, S Vogel, SC Llobet, A Reiche, H Swainson, I Bruck, E AF Kothapalli, Karunakar Nasreen, Farzana Peterson, Joe Nakotte, Heinz El-Khatib, Sami Vogel, Sven C. Llobet, Anna Reiche, Helmut Swainson, Ian Bruck, Ekkehard TI Effect of temperature on hybridization and magnetism in UPdSn and UCuSn SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc AB We measured the temperature dependence of the structural parameters and the occurrence of magnetism in UPdSn and UCuSn using neutron diffraction. The data were taken in an effort to understand the role of hybridization effects for the development of the uranium magnetic moment and the occurrence of long-range magnetic order in these two compounds. The shortest U-U distance provides a measure of delocalization due to direct 5f-5f overlap, while the U-Pd (or U-Cu, respectively) and U-Sn distances give a measure of the effects of 5f-ligand hybridization. Using Rietveld refinement of our neutron diffraction data, we determined the shortest interatomic distances for temperatures between 15 K and room temperature. The changes in the interatomic distances cause changes in the hybridization effects, which in turn leads to the formation of a magnetic ground state for both compounds. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3073944] C1 [Kothapalli, Karunakar; Nasreen, Farzana; Peterson, Joe; Nakotte, Heinz] New Mexico State Univ, Dept Phys, Las Cruces, NM 88001 USA. [El-Khatib, Sami] Natl Inst Stand & Technol, NCNR, Gaithersburg, MD 20899 USA. [Vogel, Sven C.; Llobet, Anna; Reiche, Helmut] Los Alamos Natl Lab, Los Alamos Neutron Sci Ctr, Los Alamos, NM 87545 USA. [Swainson, Ian] Atom Energy Canada Ltd, Chalk River Labs, Chalk River, ON K0J 1J0, Canada. [Bruck, Ekkehard] Univ Amsterdam, Van der Waals Zeeman Inst, NL-1018 XE Amsterdam, Netherlands. RP Nakotte, H (reprint author), New Mexico State Univ, Dept Phys, Las Cruces, NM 88001 USA. EM hnakotte@nmsu.edu RI Llobet, Anna/B-1672-2010; Lujan Center, LANL/G-4896-2012; Bruck, Ekkes/E-3365-2014; OI Vogel, Sven C./0000-0003-2049-0361 NR 9 TC 0 Z9 0 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07E121 DI 10.1063/1.3073944 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500652 ER PT J AU Luo, ZP Miller, DJ Mitchell, JF AF Luo, Z. P. Miller, D. J. Mitchell, J. F. TI Structure and charge ordering behavior of the colossal magnetoresistive manganite Nd0.5Sr0.5MnO3 SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID TRANSITIONS AB The structure and charge ordering (CO) behavior of the three-dimensional colossal magnetoresistive manganite Nd0.5Sr0.5MnO3 have been studied by transmission electron microscopy. The electron diffraction analysis suggested its room temperature structure as orthorhombic, with a Pnma space group. By controlling the experimental temperature setting either above or below the CO transition temperature, it was observed that the CO grew through the propagation of the CO front. The twin boundaries were the barriers of the CO front movement. In heavily ion irradiated samples, it was observed that the CO front was pinned by the intracrystalline defects, forming a zigzag shape interface. Moreover, the electron beam was observed to influence the CO. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3072472] C1 [Luo, Z. P.] Texas A&M Univ, Microscopy & Imaging Ctr, College Stn, TX 77843 USA. [Miller, D. J.; Mitchell, J. F.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Luo, ZP (reprint author), Texas A&M Univ, Microscopy & Imaging Ctr, College Stn, TX 77843 USA. EM luo@mic.tamu.edu RI Luo, Zhiping/C-4435-2014 OI Luo, Zhiping/0000-0002-8264-6424 NR 11 TC 4 Z9 4 U1 1 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07D528 DI 10.1063/1.3072472 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500567 ER PT J AU Malik, SK Lamsal, J de Almeida, RL Quezado, S Yelon, WB Garlea, VO Morozkin, AV Nirmala, R AF Malik, S. K. Lamsal, Jagat de Almeida, R. L. Quezado, S. Yelon, W. B. Garlea, V. O. Morozkin, A. V. Nirmala, R. TI Magnetic ordering in the rare earth intermetallic compound Tb2Ti3Ge4: Magnetization and neutron diffraction studies SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID ER AB Magnetization and neutron diffraction studies on a polycrystalline Tb2Ti3Ge4 sample (orthorhombic Sm5Ge4-type structure, space group Pnma, No. 62) have been carried out. This compound is found to order antiferromagnetically at similar to 18 K (T-N). The magnetization (M) versus field (H) isotherms obtained at 2, 3, 5, and 10 K indicate a field-induced antiferromagnetic to ferromagnetic transition in fields of the order of 0.5 T. The saturation magnetization value at 2.5 K (M extrapolated to 1/H -> 0) is only similar to 5.6 mu(B)/Tb3+, suggesting the possible presence of crystal field effects with or without a persisting antiferromagnetic component. Neutron powder diffraction data at 10 K confirm the existence of a magnetic long range order. Modeling of the magnetic scattering reveals a complex and incommensurate antiferromagnetic spin structure below T-N. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3063073] C1 [Malik, S. K.; de Almeida, R. L.; Quezado, S.] Univ Brasilia, ICCMP, BR-70904970 Brasilia, DF, Brazil. [Lamsal, Jagat] Univ Missouri, Dept Phys & Astron, Columbia, MO 65211 USA. [Yelon, W. B.] Missouri Univ Sci & Technol, Dept Chem, Rolla, MO 65409 USA. [Yelon, W. B.] Missouri Univ Sci & Technol, Mat Res Ctr, Rolla, MO 65409 USA. [Garlea, V. O.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. [Morozkin, A. V.] Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119899, Russia. [Nirmala, R.] Indian Inst Technol, Dept Phys, Madras 600036, Tamil Nadu, India. RP Malik, SK (reprint author), Univ Brasilia, ICCMP, BR-70904970 Brasilia, DF, Brazil. EM nirmala@physics.iitm.ac.in RI Garlea, Vasile/A-4994-2016 OI Garlea, Vasile/0000-0002-5322-7271 NR 11 TC 0 Z9 0 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07A911 DI 10.1063/1.3063073 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500236 ER PT J AU McGrane, SD Grieco, A Ramos, KJ Hooks, DE Moore, DS AF McGrane, S. D. Grieco, A. Ramos, K. J. Hooks, D. E. Moore, D. S. TI Femtosecond micromachining of internal voids in high explosive crystals for studies of hot spot initiation SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID BULK TRANSPARENT MATERIALS; ENERGETIC MATERIALS; SOLID EXPLOSIVES; SHOCK INITIATION; LASER-PULSES; DETONATION; SAPPHIRE; GLASSES AB Femtosecond micromachining was used to produce controlled patterns of internal voids in high explosive single crystals of 1,3-dinitrato-2,2-bis(nitratomethyl) propane (PETN), 1,3,5-trinitroperhydro-1,3,5-triazine (RDX) and 1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). The micromachined voids were characterized with optical microscopy and confocal Raman microscopy. Optical microscopy established that the voids generated near the threshold energy were localized to submicrometer diameters. Increasing the micromachining energy above threshold led to microcracking along preferred crystalline planes. Consolidation of hundreds to thousands of individual voids allowed creation of defined two-and three-dimensional structures. Production of three-dimensional consolidated structures led to extended crystal damage or residual strain over tens to hundreds of micrometers. Confocal Raman microscopy established that the defects generated were voids, with no chemical products observable and with diminished crystal spectral intensity. The results of this work suggest that large controlled arrays of internal voids can be produced in explosive crystals, with the exception that continuous three-dimensional defect structures are possible only if the extended damage is acceptable. These methods and materials are expected to be valuable for controlled studies of hot spot initiation in shocked explosives. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3091270] C1 [McGrane, S. D.; Grieco, A.; Ramos, K. J.; Hooks, D. E.; Moore, D. S.] Los Alamos Natl Lab, Shock & Detonat Phys Grp, Los Alamos, NM 87545 USA. [Grieco, A.] Univ Calif San Diego, San Diego, CA 92103 USA. RP McGrane, SD (reprint author), Los Alamos Natl Lab, Shock & Detonat Phys Grp, DE 9, Los Alamos, NM 87545 USA. EM mcgrane@lanl.gov RI Moore, David/C-8692-2013; OI Mcgrane, Shawn/0000-0002-2978-3980 FU U. S. Department of Energy [DE-AC5206NA25396] FX This research was supported by the U. S. Department of Energy through the LANL/LDRD Program. 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 No. DE-AC5206NA25396. NR 34 TC 10 Z9 10 U1 4 U2 27 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 073505 DI 10.1063/1.3091270 PG 7 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500015 ER PT J AU Mehta, VV Liberati, M Wong, FJ Chopdekar, RV Arenholz, E Suzuki, Y AF Mehta, Virat Vasav Liberati, Marco Wong, Franklin J. Chopdekar, Rajesh Vilas Arenholz, Elke Suzuki, Yuri TI Ferromagnetism in tetragonally distorted LaCoO3 thin films SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID SPIN-STATE; TRANSITION AB Thin films of epitaxial LaCoO3 were synthesized on SrTiO3 and (La, Sr) (Al, Ta)O-3 substrates, varying the oxygen background pressure in order to evaluate the impact of epitaxial growth as well as oxygen vacancies on the long range magnetic order. The epitaxial constraints from the substrate impose a tetragonal distortion compared to the bulk form. X-ray absorption and x-ray magnetic circular dichroism measurements confirmed that the ferromagnetism arises from the Co ions and persists through the entire thickness of the film. It was found that for the thin films to show ferromagnetic order they have to be grown under the higher oxygen pressures. A correlation of the structure and magnetism suggests that the tetragonal distortions induce the ferromagnetism. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3059606] C1 [Mehta, Virat Vasav; Liberati, Marco; Wong, Franklin J.; Chopdekar, Rajesh Vilas; Suzuki, Yuri] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Mehta, Virat Vasav; Liberati, Marco; Wong, Franklin J.; Chopdekar, Rajesh Vilas; Suzuki, Yuri] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Arenholz, Elke] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Mehta, VV (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM viratmehta@berkeley.edu RI Chopdekar, Rajesh/D-2067-2009 OI Chopdekar, Rajesh/0000-0001-6727-6501 NR 16 TC 15 Z9 15 U1 3 U2 23 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07E503 DI 10.1063/1.3059606 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500690 ER PT J AU Nasreen, F Kothapalli, K Nakotte, H Alsmadi, AM Zapf, V Fabris, F Lacerda, A Kamarad, J AF Nasreen, F. Kothapalli, K. Nakotte, H. Alsmadi, A. M. Zapf, V. Fabris, F. Lacerda, A. Kamarad, J. TI Pressure and magnetic field effects in heavy-fermion UCu3.5Al1.5 SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID LIQUID BEHAVIOR; MODEL AB UCu3.5Al1.5 is a heavy-fermion compound, which crystallizes in the hexagonal CaCu5 structure, and it was reported to exhibit non-Fermi-liquid scaling at low temperatures. We report on the measurements of the electrical resistivity and magnetoresistance as a function of temperature (2-150 K), pressure (0-10 kbar), and applied magnetic field (0-18 T). The results provide evidence that, for UCu3.5Al1.5, application of pressure and/or magnetic field tends to suppress non-Fermi-liquid scaling and a tendency toward long-range magnetic correlations is observed for temperatures below 20 K, although there is no clear evidence of long-range order in the available pressure and field range. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3067588] C1 [Nasreen, F.; Kothapalli, K.; Nakotte, H.] New Mexico State Univ, Dept Phys, Las Cruces, NM 88003 USA. [Alsmadi, A. M.] Hashemite Univ, Dept Phys, Zarqa 13115, Jordan. [Zapf, V.; Fabris, F.; Lacerda, A.] Los Alamos Natl Lab, Natl High Magnet Field Lab, Pulse Field Facil, Los Alamos, NM 87545 USA. [Kamarad, J.] Acad Sci Czech Republic, Inst Phys, Lab High Pressure, Prague 16253 6, Czech Republic. RP Nakotte, H (reprint author), New Mexico State Univ, Dept Phys, Las Cruces, NM 88003 USA. EM hnakotte@nmsu.edu RI Zapf, Vivien/K-5645-2013; Kamarad, Jiri/G-5880-2014 OI Zapf, Vivien/0000-0002-8375-4515; Kamarad, Jiri/0000-0003-3502-9930 NR 15 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07E112 DI 10.1063/1.3067588 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500643 ER PT J AU Negusse, E Dvorak, J Holroyd, JS Liberati, M Santos, TS Moodera, JS Arenholz, E Idzerda, YU AF Negusse, Ezana Dvorak, J. Holroyd, J. S. Liberati, M. Santos, T. S. Moodera, J. S. Arenholz, E. Idzerda, Y. U. TI Magnetic characterization of ultrathin EuO films with XMCD SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID CIRCULAR-DICHROISM; SPECTRA; FE AB We present work done on EuO films with thicknesses varying from 10 to 60 angstrom grown as a stepped wedge on Si/SiO(2)/Cr (20 angstrom)/Cu(90 angstrom) and capped with Y(20 angstrom)/Al(80 angstrom). The films were characterized by x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD) at the europium M(5) and copper L(3) edges. The films' high quality and consistent magnetic properties were confirmed by superconducting quantum interference device magnetometry, which revealed a constant saturation moment independent of film thickness. XAS at the Cu L(3) edge showed that the bottom Cu electrode is metallic (oxidation free). We report an XMCD intensity of 52% (+/- 4.3), in excellent agreement with theoretical calculations. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3076044] C1 [Negusse, Ezana; Dvorak, J.; Holroyd, J. S.; Liberati, M.; Idzerda, Y. U.] Montana State Univ, Dept Phys, Bozeman, MT 59717 USA. [Liberati, M.; Arenholz, E.] Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94729 USA. [Santos, T. S.; Moodera, J. S.] MIT, Francis Bitter Natl Magnet Lab, Cambridge, MA 02139 USA. [Santos, T. S.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Negusse, E (reprint author), Montana State Univ, Dept Phys, Bozeman, MT 59717 USA. EM negusse@physics.montana.edu NR 12 TC 8 Z9 8 U1 0 U2 16 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07C930 DI 10.1063/1.3076044 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500490 ER PT J AU Paduan, A Al-Hassanieh, KA Sengupta, P Zapf, VS Jaime, M Lacerda, A Kenzelmann, M AF Paduan-Filho, A. Al-Hassanieh, K. A. Sengupta, P. Zapf, V. S. Jaime, M. Lacerda, A. Kenzelmann, M. TI Critical behavior of the magnetization in the spin-gapped system NiCl2-4SC (NH2)(2) SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID BOSE-EINSTEIN CONDENSATION; TLCUCL3; MAGNONS AB We report accurate magnetization measurements on the spin-gap compound NiCl2-4SC (NH2)(2) around the low portion of the magnetic induced phase ordering. The critical density of the magnetization at the phase boundary is analyzed in terms of a Bose-Einstein condensation (BEC) of bosonic particles, and the boson interaction strength is obtained as upsilon(0)=0.61 meV. The detailed analysis of the magnetization data across the transition leads to the conclusion for the preservation of the U(1) symmetry, as required for BEC. (c) 2009 American Institute of Physics. [DOI: 10.1063/1.3055265] C1 [Paduan-Filho, A.] Univ Sao Paulo, Inst Fis, BR-05508090 Sao Paulo, Brazil. [Al-Hassanieh, K. A.; Sengupta, P.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Sengupta, P.; Zapf, V. S.; Jaime, M.; Lacerda, A.] Los Alamos Natl Lab, MPA NHMFL, Los Alamos, NM 87545 USA. [Kenzelmann, M.] ETH, Solid State Phys Lab, CH-8093 Zurich, Switzerland. RP Paduan, A (reprint author), Univ Sao Paulo, Inst Fis, BR-05508090 Sao Paulo, Brazil. EM apaduan@macbeth.if.usp.br RI PaduanFilho, Armando/H-2443-2011; Zapf, Vivien/K-5645-2013; Sengupta, Pinaki/B-6999-2011; Jaime, Marcelo/F-3791-2015; Kenzelmann, Michel/A-8438-2008 OI Zapf, Vivien/0000-0002-8375-4515; Jaime, Marcelo/0000-0001-5360-5220; Kenzelmann, Michel/0000-0001-7913-4826 NR 18 TC 4 Z9 4 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07D501 DI 10.1063/1.3055265 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500540 ER PT J AU Park, E Park, T Sarrao, JL Thompson, JD AF Park, Eunsung Park, Tuson Sarrao, J. L. Thompson, J. D. TI Evidence for correlation between spin and charge dynamics in La(2)Cu(1-x)LixO(4) SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID LA2CU1-XLIXO4; GLASSES AB From ac magnetic susceptibility measurements on Li-doped La2CuO4, with H-ac parallel and perpendicular to the CuO plane, we find frequency-dependent behavior below a spin-glass temperature (T-SG). T-SG obtained from magnetic susceptibility is higher than the charge-glass temperature T-CG obtained from dielectric constant measurements, indicating that spin freezes first and drives charge freezing at a lower temperature. Similar frequency dependence of the two characteristic freezing temperatures underlines that charge and spin dynamics are strongly correlated in this cuprate compound. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3062830] C1 [Park, Eunsung; Park, Tuson] Sungkyunkwan Univ, Dept Phys, Suwon 440746, South Korea. [Park, Tuson; Sarrao, J. L.; Thompson, J. D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Park, E (reprint author), Sungkyunkwan Univ, Dept Phys, Suwon 440746, South Korea. EM tp8701@skku.edu RI Park, Tuson/A-1520-2012 NR 14 TC 0 Z9 0 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07E306 DI 10.1063/1.3062830 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500667 ER PT J AU Petculescu, G LeBlanc, JB Wun-Fogle, M Restorff, JB Yuhasz, WM Lograsso, TA Clark, AE AF Petculescu, G. LeBlanc, J. B. Wun-Fogle, M. Restorff, J. B. Yuhasz, W. M. Lograsso, T. A. Clark, A. E. TI Magnetoelastic coupling in Fe100-xGex single crystals with 4 < x < 18 SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID FE-GA ALLOYS; MAGNETOSTRICTION AB In this paper we examine the elastic (c' and c(44)) and magnetostrictive (lambda(100) and lambda(111)) behaviors of Fe100-xGex for 4 < x < 18, quantities used further to find the fundamental magnetoelastic coupling constants b(1) and b(2) at room temperature. The x dependence of b(1) and b(2) for Fe100-xGex is contrasted to those of Fe100-xGax and Fe100-xAlx. While the rhombohedral shear elastic constant c(44) is almost insensitive to the type and amount of solute, the tetragonal shear constant c' shows a pronounced and rapid softening with increasing x for all three alloys but with different decreasing slopes. Similarly, while the rhombohedral magnetostriction lambda(111) behavior is analogous for all three alloy systems, showing a sign change from negative to positive at the onset of chemical order, the tetragonal magnetostriction lambda(100) behavior differs. For the Ga and Al alloys, lambda(100) maintains positive values over the entire x range, both curves showing large peak values, whereas lambda(100) of Fe100-xGex exhibits a moderate positive peak followed by a negative dip, both of comparable magnitude. Finally the tetragonal coupling constant -b(1) of Fe-Ge shows a marked, sharp decrease as chemical order occurs at x similar to 12 at. % Ge. The decline continues until the ordered D0(3) phase is fully established at x similar to 18 at. % Ge. The peak value of vertical bar b(1)vertical bar for Fe-Ge is approximately half of those for Fe-Ga and Fe-Al. This smaller value of vertical bar b(1)vertical bar, obtained for the higher electron concentration Ge alloy, is consistent with predictions based on band structure calculations. The rhombohedral coupling constant -b(2) shows a consistent sign change at the occurrence of chemical ordering in both Fe-Ga and Fe-Ge. (c) 2009 American Institute of Physics. [DOI: 10.1063/1.3061864] C1 [Petculescu, G.; LeBlanc, J. B.] Univ Louisiana Lafayette, Lafayette, LA 70504 USA. [Wun-Fogle, M.; Restorff, J. B.] USN, Ctr Surface Warfare, Carderock Div, Bethesda, MD 20817 USA. [Yuhasz, W. M.; Lograsso, T. A.] Ames Lab, Ames, IA 50011 USA. [Clark, A. E.] Clark Associates, Adelphi, MD 20783 USA. RP Petculescu, G (reprint author), Univ Louisiana Lafayette, Lafayette, LA 70504 USA. EM gp@louisiana.edu RI Yuhasz, William/C-9418-2009 NR 8 TC 5 Z9 5 U1 1 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07A932 DI 10.1063/1.3061864 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500257 ER PT J AU Phan, MH Frey, NA Srikanth, H Angst, M Sales, BC Mandrus, D AF Phan, M. H. Frey, N. A. Srikanth, H. Angst, M. Sales, B. C. Mandrus, D. TI Magnetism and cluster glass dynamics in geometrically frustrated LuFe2O4 SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID SPIN CORRELATION; FERROELECTRICITY; LA0.5SR0.5COO3 AB We report on the magnetic properties of high quality LuFe2O4 single crystals grown by the floating zone method. dc and ac susceptibility measurements and analysis reveal a ferrimagnetic transition at similar to 240 K followed by a re-entrant cluster glass transition below 225 K, with an additional magnetic transition around 170 K. Strong frequency dependence of the real (chi') and imaginary (chi '') parts of the ac susceptibility observed at both these temperatures indicate glassy behavior and we quantitatively fit the data to a cluster glass model, tau = tau(o)(Tf/T-g-1)(-zv). Our studies show that these multiple transitions are consistent with the picture of ferrimagnetic clusters in the iron oxide planes with triangular lattice configuration favoring spin frustration and glass dynamics. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3074507] C1 [Phan, M. H.; Frey, N. A.; Srikanth, H.] Univ S Florida, Dept Phys, Tampa, FL 33620 USA. [Angst, M.; Sales, B. C.; Mandrus, D.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Srikanth, H (reprint author), Univ S Florida, Dept Phys, Tampa, FL 33620 USA. EM sharihar@cas.usf.edu RI Angst, Manuel/I-4380-2012; Phan, Manh-Huong/A-6709-2014; Mandrus, David/H-3090-2014 OI Angst, Manuel/0000-0001-8892-7019; NR 15 TC 18 Z9 19 U1 2 U2 19 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07E308 DI 10.1063/1.3074507 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500669 ER PT J AU Pool, VL Klem, MT Holroyd, J Harris, T Arenholz, E Young, M Douglas, T Idzerda, YU AF Pool, V. L. Klem, M. T. Holroyd, J. Harris, T. Arenholz, E. Young, M. Douglas, T. Idzerda, Y. U. TI Site determination of Zn doping in protein encapsulated ZnxFe3-xO4 nanoparticles SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID ZINC FERRITE NANOPARTICLES; CONTRAST AGENTS; NANOMATERIALS; CAGE AB The x-ray absorption spectra of the Fe and Zn L edges for 6.7 nm Fe3O4 nanoparticles grown inside 12 nm ferritin protein cages with 10%, 15%, 20%, and 33% zinc doping show that Zn is substitutional as Zn2+ within the iron oxide host structure. A Neel-Arrhenius plot of the blocking temperature in frequency dependent ac-susceptibility measurements shows that the particles are noninteracting and that the anisotropy energy barrier is reduced with Zn loading. X-ray magnetic circular dichroism of the Fe displays a linear decrease with Zn doping in sharp contrast to the initial increase present in the bulk system. The most plausible explanation for the decrease in moment is that Zn substitutes preferentially into the tetrahedral A site as a Zn2+ cation, generating a mixed spinel. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3055346] C1 [Pool, V. L.; Holroyd, J.; Idzerda, Y. U.] Montana State Univ, Dept Phys, Bozeman, MT 59715 USA. [Pool, V. L.; Klem, M. T.; Harris, T.; Young, M.; Douglas, T.; Idzerda, Y. U.] Montana State Univ, Ctr Bioinspired Nanomat, Bozeman, MT 59715 USA. [Klem, M. T.; Harris, T.; Douglas, T.] Montana State Univ, Dept Chem & Biochem, Bozeman, MT 59715 USA. [Arenholz, E.] Adv Light Source, LBNL, Berkeley, CA 94720 USA. [Young, M.] Montana State Univ, Dept Plant Sci & Pathol, Bozeman, MT 59715 USA. RP Pool, VL (reprint author), Montana State Univ, Dept Phys, Bozeman, MT 59715 USA. EM Pool@physics.montana.edu RI Douglas, Trevor/F-2748-2011 NR 19 TC 4 Z9 4 U1 0 U2 13 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07B515 DI 10.1063/1.3055346 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500320 ER PT J AU Rathnayaka, KDD Naugle, DG Belevtsev, BI Canfield, PC Budko, SL AF Rathnayaka, K. D. D. Naugle, D. G. Belevtsev, B. I. Canfield, P. C. Budko, S. L. TI Low-temperature metamagnetic states in single crystal TbNi2B2C studied by torque magnetometry SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID SUPERCONDUCTIVITY; MAGNETISM; BOROCARBIDES; RNI2B2C AB Metamagnetic transitions in single crystal TbNi2B2C have been studied at 1.9 K with a Quantum Design torque magnetometer. The critical fields for the transitions depend strongly on the angle between the applied field and the easy axis [100]. Torque measurements have been made while changing the angular direction of the magnetic field (parallel to basal tetragonal ab-planes) at fixed field magnitude and while changing the field magnitude at fixed angular direction over a wide angular range (more than two quadrants). Torque magnetometry (sensitive only to the component of magnetization perpendicular to the field) indicates not only a different sequence of metamagnetic phases for fields near the easy axis from those near the hard axis, but also the different natures of a principal metamagnetic phase near the hard axis. Comparison of the results with longitudinal magnetization measurements is presented. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3062829] C1 [Rathnayaka, K. D. D.; Naugle, D. G.] Texas A&M Univ, Dept Phys, College Stn, TX 77843 USA. [Belevtsev, B. I.] Natl Acad Sci, B Verkin Inst Low Temp Phys & Engn, UA-61103 Kharkov, Ukraine. [Canfield, P. C.; Budko, S. L.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Canfield, P. C.; Budko, S. L.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Rathnayaka, KDD (reprint author), Texas A&M Univ, Dept Phys, College Stn, TX 77843 USA. EM daya@tamu.edu; naugle@physics.tamu.edu RI Canfield, Paul/H-2698-2014 NR 11 TC 0 Z9 0 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07E111 DI 10.1063/1.3062829 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500642 ER PT J AU Rose, V Franchy, R AF Rose, V. Franchy, R. TI The band gap of ultrathin amorphous and well-ordered Al2O3 films on CoAl(100) measured by scanning tunneling spectroscopy SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID TEMPERATURE; JUNCTIONS; OXIDATION; GROWTH AB The structural and electronic properties of ultrathin insulator Al2O3 films on CoAl(100) have been studied using a combination of scanning tunneling spectroscopy and microscopy. The analysis of the differential conductance yields a band gap of 2.6-2.9 eV for amorphous Al2O3. In the case of a well-ordered alumina film, the band gap is increased to 4.5 eV. On each of the oxide phases, the barrier height is to a large extent independent of local variations such as the surface corrugations or oxide steps. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3056577] C1 [Rose, V.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Franchy, R.] Res Ctr Julich, Inst Surfaces & Interfaces ISG 3, D-52425 Julich, Germany. RP Rose, V (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM vrose@anl.gov RI Rose, Volker/B-1103-2008 OI Rose, Volker/0000-0002-9027-1052 NR 16 TC 11 Z9 11 U1 1 U2 14 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07C902 DI 10.1063/1.3056577 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500462 ER PT J AU Rozhkova, EA Novosad, V Kim, DH Pearson, J Divan, R Rajh, T Bader, SD AF Rozhkova, E. A. Novosad, V. Kim, D. -H. Pearson, J. Divan, R. Rajh, T. Bader, S. D. TI Ferromagnetic microdisks as carriers for biomedical applications SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc AB We report the fabrication process, magnetic behavior, as well as the surface modification of ferromagnetic microdisks suspended in aqueous solution. They posses unique properties such as high magnetization of saturation, zero remanence due to spin vortex formation, intrinsic spin resonance at low frequencies, and the capability of delivering various biomolecules at once. Furthermore, because of their anisotropic shape, our magnetic particles rotate under alternating magnetic fields of small amplitude. This can be used to promote the idea of advanced therapies, which include combined drug delivery and magnetomechanical cell destruction when targeting tumor cells. The approach enables us to fabricate suitable magnetic carriers with excellent size tolerances, and then release them from the wafer into solution, ready for surface modification and therapeutic use. The particles have a magnetic core and are covered with few nanometers of gold on each side to provide stability at ambient conditions as well as biocompatibility and selective adhesion functions. A successful attempt to bind thiolates, including SH-modified antibody, to the disk's surface was demonstrated. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3061685] C1 [Rozhkova, E. A.; Divan, R.; Rajh, T.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Novosad, V.; Kim, D. -H.; Pearson, J.; Bader, S. D.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Rozhkova, EA (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM novosad@anl.gov RI Bader, Samuel/A-2995-2013; Novosad, Valentyn/C-2018-2014; Novosad, V /J-4843-2015; OI Kim, Dong-Hyun/0000-0001-6815-3319 NR 9 TC 23 Z9 23 U1 1 U2 22 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07B306 DI 10.1063/1.3061685 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500287 ER PT J AU Tang, W Wu, YQ Dennis, KW Oster, NT Kramer, MJ Anderson, IE McCallum, RW AF Tang, W. Wu, Y. Q. Dennis, K. W. Oster, N. T. Kramer, M. J. Anderson, I. E. McCallum, R. W. TI Magnetic properties and microstructure of gas atomized MRE2(Fe,Co)(14)B powder with ZrC addition (MRE=Nd plus Y plus Dy) SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID ANISOTROPY AB Gas atomization powder with Zr substitutions for the MRE and ZrC additions were systematically studied. The results show that the partial substitutions of Zr and the ZrC additions effectively improved glass formability in the alloys. Scanning electron microscopy (SEM) revealed that the as-atomized powder with a particle size of less than 32 mu m is predominately uniform equiaxed grains with an average grain size of 1.5 mu m. X-ray diffraction and differential thermal analysis measurements detected very tiny amounts of amorphous phase. After annealing at 700 degrees C for 15 min, the SEM grain microstructure exhibits a minor change, but magnetic properties are substantially improved. M versus T measurements reveal that the phase composition evolved from 2:14:1 plus a small amount of 2:17 phases to a single 2:14:1 phase during the annealing process. The sieve analysis of the powders showed a particle size distribution with 90 wt% of the powder less than 45 mu m. The magnetic properties of the annealed powder varied with particle size. (BH)(max) first increases with increasing particle size from 5 mu m, reaches the peak value in the size range of 20-25 mu m, and then decreases with increasing particle size. For the 20-25 mu m powder sample annealed at 700 degrees C for 15 min, the (BH)(max) of 9.6 MG Oe at room temperature and 5.6 MG Oe at 200 degrees C were obtained, respectively. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3073929] C1 [Tang, W.; Wu, Y. Q.; Dennis, K. W.; Oster, N. T.; Kramer, M. J.; Anderson, I. E.; McCallum, R. W.] Iowa State Univ, US DOE, Ames Lab, Ames, IA 50010 USA. RP Tang, W (reprint author), Iowa State Univ, US DOE, Ames Lab, Ames, IA 50010 USA. EM weitang@ameslab.gov NR 5 TC 0 Z9 0 U1 3 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07A728 DI 10.1063/1.3073929 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500204 ER PT J AU Wu, YQ Tang, W Kramer, MJ Dennis, KW Oster, N McCallum, RW Anderson, IE AF Wu, Y. Q. Tang, W. Kramer, M. J. Dennis, K. W. Oster, N. McCallum, R. W. Anderson, I. E. TI Correlation of the energy product with evolution of the nanostructure in the Y,Dy,Nd-(Fe, Co)-B magnetic alloy SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID REFINEMENT AB The devitrification behavior of nanocrystalline MRE(2)(Fe, Co)(14)B+ZrC (MRE=Nd+Y+Dy) was studied using differential scanning calorimetry (DSC), synchrotron high temperature x-ray diffraction, and analytical transmission electron microscopy (TEM) techniques. Alloy ribbons were melt spun at 25 m/s to obtain an amorphous structure. Optimum hard magnetic properties (B(r) = 7.2 kG, H(c)=12.7 kOe and (BH)(max)=10.8 MG Oe) were obtained in ribbons annealed at 750 degrees C for 15 min. A reduced annealing temperature of 638 degrees C and holding time from 0 to 11 min were chosen based on DSC analysis. Large changes in both microstructure and hard magnetic properties were found in a narrow window of annealing time, 4.5-6 min, resulting in a dramatic increase in energy product, remanence and coercivity: 0.96 MG Oe, 5.2 kG, 2.7 kOe to 5.7 MG Oe, 7.2 kG, 8.5 kOe for (BH)(max), Br and Hc, respectively. Energy dispersive x-ray spectroscopy and energy filtered TEM analyses indicate that Zr- and C-rich particles (similar to 5 nm) and thin grain boundary layers (1-2 nm thick) are formed surrounding 2-14-1 hard phase grains when the annealing time is over 6 min. Further annealing resulted in a more distinct hard phase surrounded by a nonmagnetic grain boundary phase similar to 1 nm in thickness. The thin grain boundary layer phase starts to disappear with annealing time over 11 min. The partitioning behavior of various elements at different annealing conditions appears to be associated with significant changes in magnetic properties, leading to an improved optimum microstructure. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3067539] C1 [Wu, Y. Q.; Tang, W.; Kramer, M. J.; Dennis, K. W.; Oster, N.; McCallum, R. W.; Anderson, I. E.] Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. [Kramer, M. J.; McCallum, R. W.; Anderson, I. E.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Wu, YQ (reprint author), Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. EM yqwu@ameslab.gov NR 6 TC 2 Z9 2 U1 1 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2009 VL 105 IS 7 AR 07A720 DI 10.1063/1.3067539 PG 3 WC Physics, Applied SC Physics GA 453SX UT WOS:000266633500196 ER PT J AU Yuhasz, WM Schlagel, DL Xing, Q Dennis, KW McCallum, RW Lograsso, TA AF Yuhasz, W. M. Schlagel, D. L. Xing, Q. Dennis, K. W. McCallum, R. W. Lograsso, T. A. TI Influence of annealing and phase decomposition on the magnetostructural transitions in Ni50Mn39Sn11 SO JOURNAL OF APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 53rd Annual Conference on Magnetism and Magnetic Materials CY NOV 11-14, 2008 CL Austin, TX SP Phys Conf Inc, IEEE, Magnet Soc ID SHAPE-MEMORY ALLOYS; NI-MN-GA; MAGNETIC-PROPERTIES; TRANSFORMATIONS AB Magnetic and structural transitions in the Ni50Mn50-xSnx (x=10-25) ferromagnetic shape memory alloys are currently of interest. As in Ni-Mn-Ga, these alloys feature high-temperature austenite and low-temperature martensite phases, where the magnetic state is strongly composition dependent. To study the role of chemical ordering in fine-tuning their magnetostructural properties, they were first annealed for 4 weeks/1223 K to achieve structural and compositional homogeneity, and were then further annealed for 1 week (similar to 150 K below the reported B2 to L2(1) transition) at 773 K to increase the degree of chemical ordering. For x=11, this anneal resulted in a dramatic change in the magnetic ordering temperature. Following the 1223 K anneal, the sample exhibited ferromagnetic ordering at 140 K. After the 773 K anneal, the ferromagnetic transition is at 350 K, a characteristic of the ferromagnetic austenite phase with 15 h -> gamma gamma). We study to what extent the combination of these two measurements would allow us to extract parameters in the stop mass matrix, including the off-diagonal mixing term, with a focus on the MSSM golden region where the stops are light and the mixing is large. Even though both the production cross-section and the decay amplitude are not sensitive to supersymmetric parameters outside of the stop sector, the branching ratio depends on the total decay width, which is dominated by the Higgs decay to b quarks and sensitive to both the pseudo-scalar mass m(A) and the supersymmetric Higgs mass mu. In the end we find m(A) is an important input in extracting the stop mass parameters, while a fair estimate of the off-diagonal mixing term could be obtained without prior knowledge of mu. C1 [Low, Ian] Argonne Natl Lab, HEP Div, Theory Grp, Argonne, IL 60439 USA. Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA. RP Low, I (reprint author), Argonne Natl Lab, HEP Div, Theory Grp, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ilow@northwestern.edu; shashankshalgar@u.northwestern.edu FU U.S. DOE [DE-AC02-06CH11357] FX This work was supported in part by U.S. DOE under contract DE-AC02-06CH11357. I. L. acknowledges valuable conversations with T. Tait and C. Wagner. NR 32 TC 15 Z9 15 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD APR PY 2009 IS 4 AR 091 DI 10.1088/1126-6708/2009/04/091 PG 14 WC Physics, Particles & Fields SC Physics GA 450VD UT WOS:000266428300091 ER PT J AU Marchesano, F McGuirk, P Shiu, G AF Marchesano, Fernando McGuirk, Paul Shiu, Gary TI Open string wavefunctions in warped compactifications SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Compactification and String Models; D-branes; Flux compactifications ID D-BRANES; INTERSECTING BRANES; KAPPA-SYMMETRY; FLUXES; SUPERSYMMETRY; INFLATION; ORIENTIFOLDS; BACKGROUNDS; COSMOLOGY; EQUATIONS AB We analyze the wavefunctions for open strings in warped compactifications, and compute the warped Kahler potential for the light modes of a probe D-brane. This analysis not only applies to the dynamics of D-branes in warped backgrounds, but also allows to deduce warping corrections to the closed string Kahler metrics via their couplings to open strings. We consider in particular the spectrum of D7-branes in warped Calabi-Yau orientifolds, which provide a string theory realizations of the Randall-Sundrum scenario. We find that certain background fluxes, necessary in the presence of warping, couple to the fermionic wavefunctions and qualitatively change their behavior. This modified dependence of the wavefunctions are needed for consistency with supersymmetry, though it is present in non-supersymmetric vacua as well. We discuss the deviations of our setup from the RS scenario and, as an application of our results, compute the warping corrections to Yukawa couplings in a simple model. Our analysis is performed both with and without the presence of D-brane world-volume flux, as well as for the case of backgrounds with varying dilaton. C1 [Marchesano, Fernando; Shiu, Gary] CERN, PH TH Div, CH-1211 Geneva 23, Switzerland. [McGuirk, Paul; Shiu, Gary] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [McGuirk, Paul; Shiu, Gary] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [McGuirk, Paul; Shiu, Gary] Stanford Univ, SLAC, Stanford, CA 94305 USA. RP Marchesano, F (reprint author), CERN, PH TH Div, CH-1211 Geneva 23, Switzerland. EM marchesa@cern.ch; mcguirk@physics.wisc.edu; shiu@physics.wisc.edu NR 69 TC 35 Z9 35 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD APR PY 2009 IS 4 AR 095 DI 10.1088/1126-6708/2009/04/095 PG 53 WC Physics, Particles & Fields SC Physics GA 450VD UT WOS:000266428300095 ER PT J AU Revilleza, MJR Levin, D Mage, MG Teyton, L Robinson, H Shevach, EM Natarajan, K AF Revilleza, Maria Jamela Roxas Levin, Ditza Mage, Michael G. Teyton, Luc Robinson, Howard Shevach, Ethan M. Natarajan, Kannan TI A self-peptide with large anchor residues binds IAd and induces Th2-like autoimmune gastritis SO JOURNAL OF IMMUNOLOGY LA English DT Meeting Abstract C1 [Revilleza, Maria Jamela Roxas; Mage, Michael G.; Shevach, Ethan M.; Natarajan, Kannan] NIAID, Mol Biol Sect, LI, NIH, Bethesda, MD 20892 USA. [Levin, Ditza] Oil Braude Engn Coll, Biotechnol Engn Dept, Karmiel, Israel. [Teyton, Luc] Scripps Res Inst, Dept Immunol, La Jolla, CA 92037 USA. [Robinson, Howard] Brookhaven Natl Lab, Upton, NY 11973 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER ASSOC IMMUNOLOGISTS PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814 USA SN 0022-1767 EI 1550-6606 J9 J IMMUNOL JI J. Immunol. PD APR 1 PY 2009 VL 182 SU 1 PG 1 WC Immunology SC Immunology GA V44QN UT WOS:000209763602107 ER PT J AU Rastogi, G Muppidi, G Gurram, R Adhikari, A Bischoff, K Hughes, S Apel, W Bang, S Dixon, D Sani, R AF Rastogi, Gurdeep Muppidi, Geetha L. Gurram, Raghu N. Adhikari, Akash Bischoff, Kenneth M. Hughes, Stephen R. Apel, William A. Bang, Sookie S. Dixon, David J. Sani, Rajesh K. TI Isolation and characterization of cellulose-degrading bacteria from the deep subsurface of the Homestake gold mine, Lead, South Dakota, USA SO JOURNAL OF INDUSTRIAL MICROBIOLOGY & BIOTECHNOLOGY LA English DT Article DE Cellulose-degrading bacteria; DUSEL; Deep subsurface; Thermostable enzymes; Gold mine ID PHYLOGENETIC DIVERSITY; ETHANOL-PRODUCTION; SP-NOV.; STRAIN; BACILLUS; PURIFICATION; COMMUNITIES; BIOMASS; SYSTEM; SUGAR AB The present study investigated the cultivable mesophilic (37A degrees C) and thermophilic (60A degrees C) cellulose-degrading bacterial diversity in a weathered soil-like sample collected from the deep subsurface (1.5 km depth) of the Homestake gold mine in Lead, South Dakota, USA. Chemical characterization of the sample by X-ray fluorescence spectroscopy revealed a high amount of toxic heavy metals such as Cu, Cr, Pb, Ni, and Zn. Molecular community structures were determined by phylogenetic analysis of 16S rRNA gene sequences retrieved from enrichment cultures growing in presence of microcrystalline cellulose as the sole source of carbon. All phylotypes retrieved from enrichment cultures were affiliated to Firmicutes. Cellulose-degrading mesophilic and thermophilic pure cultures belonging to the genera Brevibacillus, Paenibacillus, Bacillus, and Geobacillus were isolated from enrichment cultures, and selected cultures were studied for enzyme activities. For a mesophilic isolate (DUSELG12), the optimum pH and temperature for carboxymethyl cellulase (CMCase) were 5.5 and 55A degrees C, while for a thermophilic isolate (DUSELR7) they were 5.0 and 75A degrees C, respectively. Furthermore, DUSELG12 retained about 40% CMCase activity after incubation at 60A degrees C for 8 h. Most remarkably, thermophilic isolate, DUSELR7 retained 26% CMCase activity at 60A degrees C up to a period of 300 h. Overall, the present work revealed the presence of different cellulose-degrading bacterial lineages in the unique deep subsurface environment of the mine. The results also have strong implications for biological conversion of cellulosic agricultural and forestry wastes to commodity chemicals including sugars. C1 [Rastogi, Gurdeep; Muppidi, Geetha L.; Gurram, Raghu N.; Adhikari, Akash; Bang, Sookie S.; Dixon, David J.; Sani, Rajesh K.] S Dakota Sch Mines & Technol, Dept Biol & Chem Engn, Rapid City, SD 57701 USA. [Bischoff, Kenneth M.; Hughes, Stephen R.] USDA, Natl Ctr Agr Utilizat Res, Bioprod & Biocatalysis Res Unit, Peoria, IL 61604 USA. [Apel, William A.] Idaho Natl Lab, Biol Syst Dept, Idaho Falls, ID 83415 USA. RP Sani, R (reprint author), S Dakota Sch Mines & Technol, Dept Biol & Chem Engn, Rapid City, SD 57701 USA. EM Rajesh.Sani@sdsmt.edu FU South Dakota Governor's program (2010) and Board of Regents; NASA [NCC5-588] FX This research was funded by the South Dakota Governor's program (2010) and Board of Regents grant for project title "Generating Preliminary Microbial Data on Homestake Gold Mine". In addition, Geetha L. Muppidi acknowledges funding through the SD NASA-EPSCoR Program (NASA Grant # NCC5-588). The support of the SDSM&T's Department of Chemical and Biological Engineering also contributed significantly to this research. We also would like to thank the anonymous reviewers whose critiques were instrumental in making our manuscript of an excellent quality. NR 47 TC 59 Z9 63 U1 1 U2 35 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1367-5435 J9 J IND MICROBIOL BIOT JI J. Ind. Microbiol. Biotechnol. PD APR PY 2009 VL 36 IS 4 BP 585 EP 598 DI 10.1007/s10295-009-0528-9 PG 14 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 423WP UT WOS:000264527400012 PM 19189143 ER PT J AU Sundaram, S Sundaram, SK Woskov, PP AF Sundaram, Sudhandra Sundaram, S. K. Woskov, Paul P. TI Real-time Non-contact Millimeter Wave Characterization of Water-Freezing and Ice-Melting Dynamics SO JOURNAL OF INFRARED MILLIMETER AND TERAHERTZ WAVES LA English DT Article DE Millimeter wave reflectivity; Freezing; Melting; Fresh/sea water; Remote sensing; Global warming ID DIELECTRIC-PROPERTIES; COMPLEX PERMITTIVITY; 1 THZ; FREQUENCIES; MODEL; CONSTANT; LAYER; FRESH; GHZ AB We applied millimeter wave radiometry for the first time to monitor water-freezing and ice-melting dynamics in real-time non-contact. The measurements were completed at a frequency of 137 GHz. Small amounts (about 2 mL) of freshwater or saltwater were frozen over a Peltier cooler and the freezing and melting sequence was recorded. Saltwater was prepared in the laboratory that contained 3.5% of table salt to simulate the ocean water. The dynamics of freezing-melting was observed by measuring the millimeter wave temperature as well as the changes in the ice or water surface reflectivity and position. This was repeated using large amounts of freshwater and saltwater (800 mL) mimicking glaciers. Millimeter wave surface level fluctuations indicated as the top surface melted, the light ice below floated up indicating lower surface temperature until the ice completely melted. Our results are useful for remote sensing and tracking temperature for potentially large-scale environmental applications, e.g., global warming. C1 [Sundaram, Sudhandra] Phillips Acad, Andover, MA 01810 USA. [Sundaram, S. K.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Woskov, Paul P.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. RP Sundaram, S (reprint author), Phillips Acad, Andover, MA 01810 USA. EM ssundaram@andover.edu FU DOE's Environment Management Science Program (EMSP); United States Department of Energy [DE-AC06-76RLO 1830] FX SKS acknowledges support from the DOE's Environment Management Science Program (EMSP). Pacific Northwest National Laboratory (PNNL) is a multi-program national laboratory operated by Battelle Memorial Institute for the United States Department of Energy under DE-AC06-76RLO 1830. NR 16 TC 0 Z9 0 U1 0 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1866-6892 J9 J INFRARED MILLIM TE JI J. Infrared Millim. Terahertz Waves PD APR PY 2009 VL 30 IS 4 BP 393 EP 400 DI 10.1007/s10762-008-9457-3 PG 8 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA 414PV UT WOS:000263878600010 ER PT J AU Du, CW Luo, ZC Yu, M Benveniste, H Tully, M Pan, RB Chance, B AF Du, Congwu Luo, Zhongchi Yu, Mei Benveniste, Helene Tully, Melissa Pan, Rubing Chance, Britton TI DETECTION OF Ca2+-DEPENDENT NEURONAL ACTIVITY SIMULTANEOUSLY WITH DYNAMIC CHANGES IN CEREBRAL BLOOD VOLUME AND TISSUE OXYGENATION FROM THE LIVE RAT BRAIN SO JOURNAL OF INNOVATIVE OPTICAL HEALTH SCIENCES LA English DT Article DE Optical spectroscopy; calcium fluorescence; Rhod(2) labeling; brain ischemia and cocaine addiction; forepaw stimulation AB We present a catheter-based optical diffusion and fluorescence (ODF) probe to study the functional changes of the brain in vivo. This ODF probe enables the simultaneous detection of the multi-wavelength absorbance and fluorescence emission from the living rat brain. Our previous studies, including a transient stroke experiment of the rat brain as well as the brain response to cocaine, have established the feasibility of simultaneously determining changes in cerebral blood volume (CBV), tissue oxygenation (StO2) and intracellular calcium ([Ca2+](i), using the fluorescence indicator Rhod(2)). Here, we present our preliminary results of somatosensory response to electrical forepaw stimulation obtained from the rat cortical brain by using the ODF probe, which indicate that the probe could track brain activation by directly detecting [Ca2+](i) along with separately distinguishing CBV and StO2 in real time. The changes of CBV, StO(2) and [Ca2+](i) are comparable with the blood-oxygen-level-dependent (BOLD) response to the stimulation obtained using functional magnetic resonance imaging (fMRI). However, the high temporal resolution of the optical methodology is advanced, thus providing a new modality for brain functional studies to understand the hemodynamic changes that underlie the neuronal activity. C1 [Du, Congwu; Yu, Mei; Benveniste, Helene] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. [Luo, Zhongchi; Tully, Melissa] SUNY Stony Brook, Dept Biomed Engn, Stony Brook, NY 11794 USA. [Du, Congwu; Benveniste, Helene] SUNY Stony Brook, Dept Anesthesiol, Stony Brook, NY 11794 USA. [Pan, Rubing] Univ Illinois, Dept Biol, Urbana, IL 61801 USA. [Chance, Britton] Univ Penn, Dept Biophys & Phys Chem, Philadelphia, PA 19104 USA. RP Du, CW (reprint author), Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. EM congwu@bnl.gov FU NIH [K25-DA021200]; Laboratory Directed Research Development (LDRD) of Brookhaven National Laboratory [04-066]; Department of Energy Office of Science and Biological Research FX This work was supported in part by NIH Grants K25-DA021200, Laboratory Directed Research Development (LDRD) Grant (04-066) of Brookhaven National Laboratory, and by Department of Energy Office of Science and Biological Research. NR 26 TC 1 Z9 1 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 1793-5458 J9 J INNOV OPT HEAL SCI JI J. Innov. Opt. Health Sci. PD APR PY 2009 VL 2 IS 2 BP 189 EP 200 DI 10.1142/S1793545809000498 PG 12 WC Optics; Radiology, Nuclear Medicine & Medical Imaging SC Optics; Radiology, Nuclear Medicine & Medical Imaging GA V27XZ UT WOS:000208647200009 ER PT J AU Battaglia, M Bisello, D Contarato, D Denes, P Giubilato, P Glesener, L Mattiazzo, S Vu, CQ AF Battaglia, M. Bisello, D. Contarato, D. Denes, P. Giubilato, P. Glesener, L. Mattiazzo, S. Vu, C. Q. TI Monolithic pixel sensors in deep-submicron SOI Technology SO JOURNAL OF INSTRUMENTATION LA English DT Article CT PIXEL 2008 International Workshop CY SEP 23-26, 2008 CL Fermilab, Batavia, IL HO Fermilab DE Particle tracking detectors; Solid state detectors ID BEAM TELESCOPE; DETECTORS; TRACKING AB Monolithic pixel sensors for charged particle detection and imaging applications have been designed and fabricated using commercially available, deep-submicron Silicon-On-Insulator (SOI) processes, which insulate a thin layer of integrated full CMOS electronics from a high-resistivity substrate by means of a buried oxide. The substrate is contacted from the electronics layer through vias etched in the buried oxide, allowing pixel implanting and reverse biasing. This paper summarizes the performances achieved with a first prototype manufactured in the OKI 0.15 mu m m FD-SOI process, featuring analog and digital pixels on a 10 mu m pitch. The design and preliminary results on the analog section of a second prototype manufactured in the OKI 0.20 mu m FD-SOI process are briefly discussed. C1 [Battaglia, M.; Contarato, D.; Denes, P.; Giubilato, P.; Vu, C. Q.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Bisello, D.; Giubilato, P.; Mattiazzo, S.] Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy. RP Contarato, D (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM DContarato@lbl.gov OI Giubilato, Piero/0000-0003-4358-5355 NR 13 TC 2 Z9 2 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD APR PY 2009 VL 4 AR P04007 DI 10.1088/1748-0221/4/04/P04007 PG 10 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 442YV UT WOS:000265878300007 ER PT J AU Berger, BE Busenitz, J Classen, T Decowski, MP Dwyer, DA Elor, G Frank, A Freedman, SJ Fujikawa, BK Galloway, M Gray, F Heeger, KM Hsu, L Ichimura, K Kadel, R Keefer, G Lendvai, C Mckee, D O'Donnell, T Piepke, A Steiner, HM Syversrud, D Wallig, J Winslow, LA Ebihara, T Enomoto, S Furuno, K Gando, Y Ikeda, H Inoue, K Kibe, Y Kishimoto, Y Koga, M Minekawa, Y Mitsui, T Nakajima, K Nakajima, K Nakamura, K Owada, K Shimizu, I Shimizu, Y Shirai, J Suekane, F Suzuki, A Tamae, K Yoshida, S Kozlov, A Murayama, H Grant, C Leonard, DS Luk, KB Jillings, C Mauger, C McKeown, RD Zhang, C Lane, CE Maricic, J Miletic, T Batygov, M Learned, JG Matsuno, S Pakvasa, S Foster, J Horton-Smith, GA Tang, A Dazeley, S Downum, KE Gratta, G Tolich, K Bugg, W Efremenko, Y Kamyshkov, Y Perevozchikov, O Karwowski, HJ Markoff, DM Tornow, W Piquemal, F Ricol, JS AF Berger, B. E. Busenitz, J. Classen, T. Decowski, M. P. Dwyer, D. A. Elor, G. Frank, A. Freedman, S. J. Fujikawa, B. K. Galloway, M. Gray, F. Heeger, K. M. Hsu, L. Ichimura, K. Kadel, R. Keefer, G. Lendvai, C. McKee, D. O'Donnell, T. Piepke, A. Steiner, H. M. Syversrud, D. Wallig, J. Winslow, L. A. Ebihara, T. Enomoto, S. Furuno, K. Gando, Y. Ikeda, H. Inoue, K. Kibe, Y. Kishimoto, Y. Koga, M. Minekawa, Y. Mitsui, T. Nakajima, K. Nakajima, K. Nakamura, K. Owada, K. Shimizu, I. Shimizu, Y. Shirai, J. Suekane, F. Suzuki, A. Tamae, K. Yoshida, S. Kozlov, A. Murayama, H. Grant, C. Leonard, D. S. Luk, K-B. Jillings, C. Mauger, C. McKeown, R. D. Zhang, C. Lane, C. E. Maricic, J. Miletic, T. Batygov, M. Learned, J. G. Matsuno, S. Pakvasa, S. Foster, J. Horton-Smith, G. A. Tang, A. Dazeley, S. Downum, K. E. Gratta, G. Tolich, K. Bugg, W. Efremenko, Y. Kamyshkov, Y. Perevozchikov, O. Karwowski, H. J. Markoff, D. M. Tornow, W. Piquemal, F. Ricol, J-S. TI The KamLAND full-volume calibration system SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Detector design and construction technologies and materials; Large detector systems for particle and astroparticle physics; Detector alignment and calibration methods (lasers, sources; particle-beams); Scintillators, scintillation and light emission processes (solid, gas and liquid scintillators) AB We have successfully built and operated a source deployment system for the Kam-LAND detector. This system was used to position radioactive sources throughout the delicate 1-kton liquid scintillator volume, while meeting stringent material cleanliness, material compatibility, and safety requirements. The calibration data obtained with this device were used to fully characterize detector position and energy reconstruction biases. As a result, the uncertainty in the size of the detector fiducial volume was reduced by a factor of two. Prior to calibration with this system, the fiducial volume was the largest source of systematic uncertainty in measuring the number of anti-neutrinos detected by KamLAND. This paper describes the design, operation and performance of this unique calibration system. C1 [Berger, B. E.] Colorado State Univ, Dept Phys, Ft Collins, CO 80523 USA. [Busenitz, J.; Classen, T.; Keefer, G.; McKee, D.; Piepke, A.; Grant, C.; Leonard, D. S.] Univ Alabama, Dept Phys & Astron, Tuscaloosa, AL 35487 USA. [Decowski, M. P.; Elor, G.; Frank, A.; Freedman, S. J.; Fujikawa, B. K.; Galloway, M.; Gray, F.; Hsu, L.; Ichimura, K.; Kadel, R.; Lendvai, C.; O'Donnell, T.; Steiner, H. M.; Syversrud, D.; Wallig, J.; Winslow, L. A.; Murayama, H.; Luk, K-B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Decowski, M. P.; Elor, G.; Frank, A.; Freedman, S. J.; Fujikawa, B. K.; Galloway, M.; Gray, F.; Hsu, L.; Ichimura, K.; Kadel, R.; Lendvai, C.; O'Donnell, T.; Steiner, H. M.; Syversrud, D.; Wallig, J.; Winslow, L. A.; Murayama, H.; Luk, K-B.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Dwyer, D. A.; Jillings, C.; Mauger, C.; McKeown, R. D.; Zhang, C.] CALTECH, WK Kellogg Radiat Lab, Pasadena, CA 91125 USA. [Heeger, K. M.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Ebihara, T.; Enomoto, S.; Furuno, K.; Gando, Y.; Ikeda, H.; Inoue, K.; Kibe, Y.; Kishimoto, Y.; Koga, M.; Minekawa, Y.; Mitsui, T.; Nakajima, K.; Nakajima, K.; Nakamura, K.; Owada, K.; Shimizu, I.; Shimizu, Y.; Shirai, J.; Suekane, F.; Suzuki, A.; Tamae, K.; Yoshida, S.] Tohoku Univ, Res Ctr Neutrino Sci, Sendai, Miyagi 9808578, Japan. [Decowski, M. P.; Freedman, S. J.; Fujikawa, B. K.; Heeger, K. M.; Piepke, A.; Enomoto, S.; Inoue, K.; Koga, M.; Nakamura, K.; Kozlov, A.; Murayama, H.; Horton-Smith, G. A.; Efremenko, Y.] Univ Tokyo, Inst Phys & Math Universe, Kashiwa, Chiba 2778568, Japan. [Lane, C. E.; Maricic, J.; Miletic, T.] Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA. [Batygov, M.; Learned, J. G.; Matsuno, S.; Pakvasa, S.] Univ Hawaii Manoa, Dept Phys & Astron, Honolulu, HI 96822 USA. [Foster, J.; Horton-Smith, G. A.; Tang, A.] Kansas State Univ, Dept Phys, Manhattan, KS 66506 USA. [Dazeley, S.] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. [Downum, K. E.; Gratta, G.; Tolich, K.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Bugg, W.; Efremenko, Y.; Kamyshkov, Y.; Perevozchikov, O.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Karwowski, H. J.; Markoff, D. M.; Tornow, W.] N Carolina Cent Univ, Duke Univ, Triangle Univ, Dept Phys,Nucl Lab, Durham, NC 27708 USA. [Karwowski, H. J.; Markoff, D. M.; Tornow, W.] Univ N Carolina Chapel Hill, Durham, NC 27708 USA. [Piquemal, F.; Ricol, J-S.] CEN Bordeaux Gradignan, CNRS, IN2P3, F-33175 Gradignan, France. [Piquemal, F.; Ricol, J-S.] Univ Bordeaux 1, F-33175 Gradignan, France. RP Hsu, L (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. RI Decowski, Patrick/A-4341-2011; Heeger, Karsten/A-9533-2011; Murayama, Hitoshi/A-4286-2011; Horton-Smith, Glenn/A-4409-2011; Kamyshkov, Yuri/J-7999-2016; OI Heeger, Karsten/0000-0002-4623-7543; Horton-Smith, Glenn/0000-0001-9677-9167; Kamyshkov, Yuri/0000-0002-3789-7152; Gray, Frederick/0000-0003-4073-8336; Zhang, Chao/0000-0003-2298-6272 FU Japanese Ministry of Education, Culture, Sports, Science and Technology; United States Department of Energy Office [DEFG03-00ER41138] FX The KamLAND experiment is supported by the Japanese Ministry of Education, Culture, Sports, Science and Technology, and under the United States Department of Energy Office grant DEFG03-00ER41138 and other DOE grants to individual institutions. The Kamioka Mining and Smelting Company has provided services for activities in the mine. NR 9 TC 14 Z9 14 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD APR PY 2009 VL 4 AR P04017 DI 10.1088/1748-0221/4/04/P04017 PG 29 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 442YV UT WOS:000265878300017 ER PT J AU Bilki, B Butler, J May, E Mavromanolakis, G Norbeck, E Repond, J Underwood, D Xia, L Zhang, Q AF Bilki, B. Butler, J. May, E. Mavromanolakis, G. Norbeck, E. Repond, J. Underwood, D. Xia, L. Zhang, Q. TI Measurement of positron showers with a digital hadron calorimeter SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Gaseous detectors; Resistive-plate chambers; Detector modelling and simulations II (electric fields, charge transport, multiplication and induction, pulse formation, electron emission, etc); Calorimeters AB A small prototype of a finely granulated digital hadron calorimeter with Resistive Plate Chambers as active elements was exposed to positrons of 1-16 GeV energy from the Fermilab test beam. The response function, energy resolution, as well as measurements of the shape of electromagnetic showers are presented. The data are compared to a Monte Carlo simulation of the set-up. C1 [May, E.; Repond, J.; Underwood, D.; Xia, L.; Zhang, Q.] Argonne Natl Lab, Argonne, IL 60439 USA. [Butler, J.] Boston Univ, Boston, MA 02215 USA. [Mavromanolakis, G.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Bilki, B.; Norbeck, E.] Univ Iowa, Iowa City, IA 52242 USA. [Mavromanolakis, G.] Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England. [Zhang, Q.] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. [Zhang, Q.] Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China. RP Repond, J (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM repond@hep.anl.gov OI Bilki, Burak/0000-0001-9515-3306 NR 8 TC 14 Z9 14 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD APR PY 2009 VL 4 AR P04006 DI 10.1088/1748-0221/4/04/P04006 PG 12 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 442YV UT WOS:000265878300006 ER PT J AU Momozaki, Y Nolen, J Reed, C Novick, V Specht, J AF Momozaki, Y. Nolen, J. Reed, C. Novick, V. Specht, J. TI Development of a liquid lithium thin film for use as a heavy ion beam stripper SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Instrumentation for heavy-ion accelerators; Instrumentation for particle accelerators and storage rings - low energy (linear accelerators, cyclotrons, electrostatic accelerators) ID CHARGE STATES AB A series of experiments was performed to investigate the feasibility of a liquid lithium thin film for a charge stripper in a high-power heavy ion linac. Various preliminary experiments using simulants were first conducted to determine the film formation scheme, to investigate the film stability, and to obtain the design parameters for a liquid lithium thin film system. Based on the results from these preliminary studies, a prototypical, high pressure liquid lithium system was constructed to demonstrate liquid lithium thin film formation. This system was capable of driving liquid lithium at < similar to 300 degrees C and up to 13.9 MPa (2000 psig) through a nozzle opening as large as 1 mm (40 mil) in diameter. This drive pressure corresponds to a Li velocity of > 200 m/s. A thin lithium film of 9 mm in width at velocity of similar to 58 m/s was produced. Its thickness was estimated to be roughly <= similar to 13 mu m. High vacuum was maintained in the area of the film. This type of liquid metal thin film may also be used in other high power beam applications such as for intense X-ray or neutron sources. C1 [Momozaki, Y.; Reed, C.; Novick, V.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Nolen, J.; Specht, J.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Momozaki, Y (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM momo@anl.gov FU U. S. Department of Energy [DE-AC02-06CH11357] FX The authors would like to thank Robert Haglund of ANL for his technical support. The submitted manuscript has been created by the University of Chicago as Operator of the Argonne National Laboratory under Contract No. DE-AC02-06CH11357 with the U. S. Department of Energy. 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 11 TC 4 Z9 4 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD APR PY 2009 VL 4 AR P04005 DI 10.1088/1748-0221/4/04/P04005 PG 19 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 442YV UT WOS:000265878300005 ER PT J AU Nouicer, R Akiba, Y Bennett, R Boyle, K Cianciolo, V Deshpande, A Dion, A Eggleston, M Enokizono, A Kaneti, S Mannel, EJ Oglvie, C Pei, H Sukhanov, A Taneja, S Togawa, M AF Nouicer, R. Akiba, Y. Bennett, R. Boyle, K. Cianciolo, V. Deshpande, A. Dion, A. Eggleston, M. Enokizono, A. Kaneti, S. Mannel, E. J. Oglvie, C. Pei, H. Sukhanov, A. Taneja, S. Togawa, M. CA PHENIX-VTX Collaboration TI Status and Performance of New Silicon Stripixel Detector for the PHENIX Experiment at RHIC: Beta Source, Cosmic-rays and Proton Beam at 120 GeV SO JOURNAL OF INSTRUMENTATION LA English DT Article CT PIXEL 2008 International Workshop CY SEP 23-26, 2008 CL Fermilab, Batavia, IL HO Fermilab DE Particle tracking detectors; dE/dx detectors; Si microstrip and pad detectors; Heavy-ion detectors ID QUARK-GLUON PLASMA; COLLABORATION; PERSPECTIVE; COLLISIONS AB We are constructing a Silicon Vertex Tracker detector (VTX) for the PHENIX experiment at RHIC. Our main motivation is to enable measurements of heavy flavor production ( charm and beauty) in p + p, p + d and A + A collisions. Such data will illuminate the properties of the matter created in high-energy heavy-ion collisions. The measurements also will reveal the distribution of gluons in protons from p + p collisions. The VTX detector consists of four layers of barrel detectors and covers vertical bar eta vertical bar < 1 : 2, and almost a 2 pi in azimuth. The inner two silicon barrels consist of silicon pixel sensors; their technology accords with that of the ALICE1LHCB sensor-readout hybrid. The outer two barrels are silicon stripixel detectors with a new "spiral" design, and a single-sided sensor with 2-dimensional ( X, U) readout. In this paper, we describe the silicon stripixel detector and discuss its performance, including its response to electrons from a beta source ((90)Sr), muons from cosmic-rays, and a 120 GeV proton beam. The results from the proton beam demonstrate that the principle of two-dimensional position sensitivity based on charge sharing works; the signal-to-noise value is 10.4, the position resolution is 33.6 mu m for X-stripixel (35.2 mu m for U-stripixel), and the tracking efficiencies in the X-and U-stripixels are, over 98.9 +/- 0.2%. The stripixel detector within the VTX project is in the pre-production phase. C1 [Nouicer, R.; Sukhanov, A.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Akiba, Y.; Boyle, K.; Deshpande, A.; Togawa, M.] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. [Akiba, Y.; Togawa, M.] RIKEN Nishina Ctr Accelerator Based Sci, Wako, Saitama 3510198, Japan. [Bennett, R.; Deshpande, A.; Kaneti, S.; Taneja, S.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Cianciolo, V.; Enokizono, A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Dion, A.; Eggleston, M.; Oglvie, C.; Pei, H.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Mannel, E. J.] Columbia Univ, Nevis Labs, Irvington, NY 10533 USA. RP Nouicer, R (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM rachid.nouicer@bnl.gov NR 12 TC 2 Z9 2 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD APR PY 2009 VL 4 AR P04011 DI 10.1088/1748-0221/4/04/P04011 PG 13 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 442YV UT WOS:000265878300011 ER PT J AU Hu, YY Schmidt-Rohr, K AF Hu, Y. -Y. Schmidt-Rohr, K. TI Effects of L-spin longitudinal quadrupolar relaxation in S{L} heteronuclear recoupling and S-spin magic-angle spinning NMR SO JOURNAL OF MAGNETIC RESONANCE LA English DT Article DE Heteronuclear recoupling; Quadrupolar relaxation; T(2) in solids; Self-decoupling; (14)N ID SOLID-STATE NMR; NUCLEAR-MAGNETIC-RESONANCE; INDUCED DIPOLAR EXCHANGE; MAS-NMR; REAPDOR NMR; SPECTRA; SPECTROSCOPY; SEPARATION; DISTANCES; COUPLINGS AB In experiments on S-L heteronuclear spin systems with evolution of the S-spin magnetization under the influence of a quadrupolar nucleus (L-spin), effects of longitudinal quadrupolar (T(1Q)) relaxation of the L-spin coherence on the sub-millisecond time scale have been documented and explored, and methods for minimizing their effect have been demonstrated. The longitudinal relaxation results in heteronuclear dephasing even in the reference signal S(0) of S{L} REDOR, REAPDOR, RIDER, or SPIDER experiments, due to T(1Q)-relaxation of the transiently generated S(y)L(2) coherence, reducing or even eliminating the observable dephasing Delta S. Pulse sequences for measuring an improved reference signal S(00) with minimal heteronuclear recoupling but the same number of pulses as for So and S have been demonstrated. From the observed intensity Delta S(0) = S(00) - S(0) and the SPIDER signal AS/S(0), T(1Q) can be estimated. Accelerated decays analogous to the dipolar So curves Will Occur in T(2) measurements for J-coupled S-L spin pairs. Even in the absence of recoupling pulses, fas