FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Hsieh, MCF Das, D Sambandam, N Zhang, MQ Nahle, Z AF Hsieh, Michael C. F. Das, Debopriya Sambandam, Nandakumar Zhang, Michael Q. Nahle, Zaher TI Regulation of the PDK4 isozyme by the Rb-E2F1 complex SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID PYRUVATE-DEHYDROGENASE KINASE; CELL-CYCLE PROGRESSION; GENE-EXPRESSION; RETINOBLASTOMA PROTEIN; CANCER-CELLS; TRANSCRIPTIONAL REGULATION; MUSCLE-CELLS; E2F FAMILY; S-PHASE; INACTIVATION AB Loss of the transcription factor E2F1 elicits a complex metabolic phenotype in mice underscored by reduced adiposity and protection from high fat diet-induced diabetes. Here, we demonstrate that E2F1 directly regulates the gene encoding PDK4 (pyruvate dehydrogenase kinase 4), a key nutrient sensor and modulator of glucose homeostasis that is chronically elevated in obesity and diabetes and acutely induced under the metabolic stress of starvation or fasting. We show that loss of E2F1 in vivo blunts PDK4 expression and improves myocardial glucose oxidation. The absence of E2F1 also corresponds to lower blood glucose levels, improved plasma lipid profile, and increased sensitivity to insulin stimulation. Consistently, enforced E2F1 expression up-regulates PDK4 levels and suppresses glucose oxidation in C2C12 myoblasts. Furthermore, inactivation of Rb, the repressor of E2F-dependent transcription, markedly induces PDK4 and triggers the enrichment of E2F1 occupancy onto the PDK4 promoter as detected by chromatin immunoprecipitation analysis. Two overlapping E2F binding sites were identified on this promoter. Transactivation assays later verified E2F1 responsiveness of this promoter element in C2C12 myoblasts and IMR90 fibroblasts, an effect that was completely abrogated following mutation of the E2F sites. Taken together, our data illustrate how the E2F1 mitogen directly regulates PDK4 levels and influences cellular bioenergetics, namely mitochondrial glucose oxidation. These results are relevant to the pathophysiology of chronic diseases like obesity and diabetes, where PDK4 is dysregulated and could have implications pertinent to the etiology of tumor metabolism, especially in cancers with Rb pathway defects. C1 [Hsieh, Michael C. F.; Sambandam, Nandakumar; Nahle, Zaher] Washington Univ, Dept Med, St Louis, MO 63110 USA. [Das, Debopriya] Ernest O Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94270 USA. [Zhang, Michael Q.] Cold Spring Harbor Lab, Cold Spring Harbor, NY 11724 USA. RP Nahle, Z (reprint author), Weill Cornell Med Coll, Dept Cardiothorac Surg, Div Thorac Surg, 1300 York Ave,69th St,A Bldg, New York, NY 10065 USA. EM znahle@DOM.wustl.edu FU American Heart Association [0760028Z] FX This work was supported by American Heart Association beginning Grant-in-Aid 0760028Z (to Z.N.). 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. NR 45 TC 42 Z9 42 U1 0 U2 2 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 J9 J BIOL CHEM JI J. Biol. Chem. PD OCT 10 PY 2008 VL 283 IS 41 BP 27410 EP 27417 DI 10.1074/jbc.M802418200 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 355OW UT WOS:000259719200009 PM 18667418 ER PT J AU Wegener, KM Welsh, EA Thornton, LE Keren, N Jacobs, JM Hixson, KK Monroe, ME Camp, DG Smith, RD Pakrasi, HB AF Wegener, Kimberly M. Welsh, Eric A. Thornton, Leeann E. Keren, Nir Jacobs, Jon M. Hixson, Kim K. Monroe, Matthew E. Camp, David G., II Smith, Richard D. Pakrasi, Himadri B. TI High sensitivity proteomics assisted discovery of a novel operon involved in the assembly of photosystem II, a membrane protein complex SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID SYNECHOCYSTIS SP PCC-6803; FTICR MASS-SPECTROMETRY; OXYGEN EVOLUTION; PSBQ PROTEIN; FUNCTIONAL-CHARACTERIZATION; SIGNAL PEPTIDES; CHLOROPHYLL-A; ACCUMULATION; POLYPEPTIDES; ARCHITECTURE AB Photosystem II (PSII) is a large membrane protein complex that performs the water oxidation reactions of photosynthesis in cyanobacteria, algae, and plants. The unusual redox reactions in PSII often lead to damage, degradation, and reassembly of this molecular machine. To identify novel assembly factors, high sensitivity proteomic analysis of PSII purified from the cyanobacterium Synechocystis sp. PCC6803 was performed. This analysis identified six PSII-associated proteins that are encoded by an operon containing nine genes, slr0144 to slr0152. This operon encodes proteins that are not essential components of the PSII holocomplex but accumulate to high levels in pre-complexes lacking any of the lumenal proteins PsbP, PsbQ, or PsbV. The operon contains genes with putative binding domains for chlorophylls and bilins, suggesting these proteins may function as a reservoir for cofactors needed during the PSII lifecycle. Genetic deletion of this operon shows that removal of these protein products does not alter photoautotrophic growth or PSII fluorescence properties. However, the deletion does result in decreased PSII-mediated oxygen evolution and an altered distribution of the S states of the catalytic manganese cluster. These data demonstrate that the proteins encoded by the genes in this operon are necessary for optimal function of PSII and function as accessory proteins during assembly of the PSII complex. Thus, we have named the products of the slr0144-slr0152 operon Pap (Photosystem II assembly proteins). C1 [Wegener, Kimberly M.; Welsh, Eric A.; Thornton, Leeann E.; Keren, Nir; Pakrasi, Himadri B.] Washington Univ, Dept Biol, St Louis, MO 63130 USA. [Jacobs, Jon M.; Hixson, Kim K.; Monroe, Matthew E.; Camp, David G., II; Smith, Richard D.] Pacific NW Natl Lab, Environm Mol Sci Biol Sci Div & Lab, Richland, WA 99352 USA. RP Pakrasi, HB (reprint author), Washington Univ, Dept Biol, CB 1137, St Louis, MO 63130 USA. EM Pakrasi@wustl.edu RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU National Science Foundation [MCB0745611]; W. R. Wiley Environmental Molecular Sciences Laboratory,; United States Department of Energy Office of Biological and Environmental Research program, located at Pacific Northwest National Laboratory FX This work was supported by National Science Foundation Grant MCB0745611 (to H. B. P.) and by funds from a Membrane Biology EMSL Scientific Grand Challenge project at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the United States Department of Energy Office of Biological and Environmental Research program, located at Pacific Northwest National Laboratory. 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. NR 41 TC 24 Z9 24 U1 1 U2 7 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 J9 J BIOL CHEM JI J. Biol. Chem. PD OCT 10 PY 2008 VL 283 IS 41 BP 27829 EP 27837 DI 10.1074/jbc.M803918200 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 355OW UT WOS:000259719200054 PM 18693241 ER PT J AU Gritti, F Guiochon, G AF Gritti, Fabrice Guiochon, Georges TI Fundamental chromatographic equations designed for columns packed with very fine particles and operated at very high pressures applications to the prediction of elution times and the column efficiencies SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE VHPLC columns; mobile phase friction; heat effects; longitudinal and radial temperature gradients; acetonitrile mobile phase; C-18-bonded silica; naphtho[2,3-a]pyrene ID PHASE LIQUID-CHROMATOGRAPHY; DIFFUSION; COEFFICIENTS; SEPARATION; RETENTION; MECHANISM; COVERAGE AB The wall temperatures of three Acquity-BEH-C-18 columns (2.1 mm x 50, 100, and 150 mm) and the temperature of the incoming eluent were maintained constant at 289 K, using a circulating water heat exchanger. The retention times and the band broadening of naphtho[2,3-a]pyrene were measured for each column as a function of the flow rate applied. Pure acetonitrile was used as the eluent. The flow rate dependence of neither elution volumes nor bandwidths can be accounted for by classical models of retention and HETP respectively, since these models assume columns to be isothermal. Because the heat generated by friction of the eluent against the column bed increases with increasing flow rate. the column bed cannot remain isothermal at high flow rates. This heat is evacuated radially and/or longitudinally by convection, conduction, and radiation. Radial and axial temperature gradients are formed, which are maximum and minimum, respectively, when the temperature of the column wall is kept uniform and constant. The retention times that we measured match well with the values predicted based on the temperature distribution along and across the column, which we calculated and on the temperature dependence of the retention for the same column operated isothermally (i.e., at very low flow rate). The rate of band spreading varies along non-isothermal columns, so the HETP can only be defined locally. It is a function of the axial coordinate. A new contribution is needed to account for the radial thermal heterogeneity of the column, hence the radial distribution of the flow velocities, which warps the elution band. A new model, based on the general dispersion theory of Aris, allows a successful prediction of the unusually large bandwidths observed with columns packed with fine particles, operated at high flow rates, hence high inlet pressures. (C) 2008 Elsevier B.V. All rights reserved. C1 [Gritti, Fabrice; Guiochon, Georges] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Gritti, Fabrice; Guiochon, Georges] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Guiochon, G (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM guiochon@utk.edu FU National Science Foundation [CHE-06-08659] FX This work was supported in part by grant CHE-06-08659 of the National Science Foundation and by the cooperative agreement between the University of Tennessee and the Oak Ridge National Laboratory. We thoroughly thank Uwe Dieter Neue (Waters, Milford, MA) for the generous gift of the columns, the loan of the Acquity chromatograph, and for his fruitful discussions and advices on UPLC experiments. We also thank Art Pratt (University of Tennessee) for the preparation of the glassware used to control the temperature of the wall of the column. NR 16 TC 22 Z9 22 U1 1 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0021-9673 J9 J CHROMATOGR A JI J. Chromatogr. A PD OCT 10 PY 2008 VL 1206 IS 2 BP 113 EP 122 DI 10.1016/j.chroma.2008.07.084 PG 10 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 358UW UT WOS:000259944000004 PM 18775540 ER PT J AU Andrejczuk, M Reisner, JM Henson, B Dubey, MK Jeffery, CA AF Andrejczuk, M. Reisner, J. M. Henson, B. Dubey, M. K. Jeffery, C. A. TI The potential impacts of pollution on a nondrizzling stratus deck: Does aerosol number matter more than type? SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID ADVECTION-CONDENSATION PROBLEM; CLOUD DROPLET FORMATION; OF-FLUID METHOD; STRATOCUMULUS CLOUDS; SHIP TRACKS; MICROPHYSICAL CONTRASTS; NUMERICAL-SIMULATION; ALBEDO; MODELS; PARTICLES AB In this paper results from a cloud-resolving model that can efficiently examine the impact of aerosol on nondrizzling stratus clouds will be shown. Because the model tracks aerosol and cloud droplets in a Lagrangian framework, it does not suffer from numerical errors associated with advection, and unlike most Eulerian approaches, the method can track cloud boundaries as they move across a grid cell. After illustrating the capability of the model to reproduce various observed cloud statistics such as the cloud water mixing ratio and the mean cloud droplet radius from the DYCOMS-II field program, the ability of the model to assess the impact of changes in aerosol number and composition on a stratus deck will be highlighted. Specifically, by using activation curves appropriate for soluble, insoluble, or a mixture of both types of aerosol and for certain extreme aerosol regimes, i.e., a majority of the aerosol are hydrophobic carbon aerosol, limiting situations were examined to bound their impact on clouds. However, though these situations may be somewhat extreme, they could occasionally occur in the atmosphere, e. g., an oceanic stratus field downwind of a large ship or an urban area. Not unexpectedly, results from these simulations support previous ship track observations that for increasing aerosol numbers, cloud droplet number concentrations increase, whereas cloud droplet radii decrease. However, these simulations also suggest that the correlation between cloud droplet number concentration and aerosol number concentration may be not only a function of aerosol number concentration but also aerosol types and/or cloud dynamics. C1 [Andrejczuk, M.; Reisner, J. M.; Henson, B.; Dubey, M. K.; Jeffery, C. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Andrejczuk, M (reprint author), Los Alamos Natl Lab, MS D401, Los Alamos, NM 87545 USA. EM miroslaw@lanl.gov RI Dubey, Manvendra/E-3949-2010 OI Dubey, Manvendra/0000-0002-3492-790X FU Los Alamos National Laboratory's Directed Research and Development Project [20050014DR] FX This research was supported by Los Alamos National Laboratory's Directed Research and Development Project entitled "Resolving the Aerosol-Climate-Water Puzzle (20050014DR)'' with computer resources being provided by the High Performance Computing Group at Los Alamos. Thanks also goes out to Vince Mousseau for the initial motivation behind this work and the three reviewers ( including Jim Hudson) who led to substantial improvements in the manuscript. NR 46 TC 29 Z9 29 U1 0 U2 4 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 OCT 10 PY 2008 VL 113 IS D19 AR D19204 DI 10.1029/2007JD009445 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 359LN UT WOS:000259988300001 ER PT J AU Liu, Q Gu, L Dickinson, RE Tian, Y Zhou, L Post, WM AF Liu, Q. Gu, L. Dickinson, R. E. Tian, Y. Zhou, L. Post, W. M. TI Assimilation of satellite reflectance data into a dynamical leaf model to infer seasonally varying leaf areas for climate and carbon models SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID PHOTOSYNTHETICALLY ACTIVE RADIATION; BOUND-CONSTRAINED OPTIMIZATION; MISR DATA; MODIS; VEGETATION; ALGORITHM; INDEX; PRODUCTS; FRACTION; CANOPY AB Leaf area index is an important input for many climate and carbon models. The widely used leaf area products derived from satellite-observed surface reflectances contain substantial erratic fluctuations in time due to inadequate atmospheric corrections and observational and retrieval uncertainties. These fluctuations are inconsistent with the seasonal dynamics of leaf area, known to be gradual. Their use in process-based terrestrial carbon models corrupts model behavior, making diagnosis of model performance difficult. We propose a data assimilation approach that combines the satellite observations of Moderate Resolution Imaging Spectroradiometer ( MODIS) albedo with a dynamical leaf model. Its novelty is that the seasonal cycle of the directly retrieved leaf areas is smooth and consistent with both observations and current understandings of processes controlling leaf area dynamics. The approach optimizes the dynamical model parameters such that the difference between the estimated surface reflectances based on the modeled leaf area and those of satellite observations is minimized. We demonstrate the usefulness and advantage of our new approach at multiple deciduous forest sites in the United States. C1 [Liu, Q.; Dickinson, R. E.; Zhou, L.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. [Gu, L.; Post, W. M.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Tian, Y.] NOAA, NESDIS, Ctr Satellite Applicat & Res, IMSG, Camp Springs, MD 20746 USA. RP Liu, Q (reprint author), Georgia Inst Technol, Sch Earth & Atmospher Sci, 311 Ferst Dr, Atlanta, GA 30332 USA. EM q111@mail.gatech.edu RI Post, Wilfred/B-8959-2012; Zhou, Liming/A-2688-2012; Gu, Lianhong/H-8241-2014 OI Gu, Lianhong/0000-0001-5756-8738 FU NSF [ATM-0720619]; DOE [DE-FG02-01ER63198]; U. S. Department of Energy [DE-AC05-00OR22725]; Office of Science; Biological and Environmental Research Program; Environmental Science Division FX This work is funded by NSF grant ATM-0720619 and DOE grant DE-FG02-01ER63198. L. Gu and W. M. Post are sponsored by the U. S. Department of Energy, Office of Science, Biological and Environmental Research Program, Environmental Science Division. ORNL is managed by UT-Battelle, LLC, for the U. S. Department of Energy under contract DE-AC05-00OR22725. We especially thank the PIs at the Walker Branch site and the Harvard Forest site for providing the air temperature measurements. NR 24 TC 13 Z9 14 U1 0 U2 10 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD OCT 10 PY 2008 VL 113 IS D19 AR D19113 DI 10.1029/2007JD009645 PG 7 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 359LN UT WOS:000259988300003 ER PT J AU Mejia, YX Mao, HB Forde, NR Bustamante, C AF Mejia, Yara X. Mao, Hanbin Forde, Nancy R. Bustamante, Carlos TI Thermal probing of E-coli RNA polymerase off-pathway mechanisms SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE RNAP; transcription; temperature; single molecule; optical tweezers ID STRUCTURAL BASIS; SINGLE-MOLECULE; TRANSCRIPTION ELONGATION; BACKTRACKING; DNA; RESOLUTION; COMPLEXES; FORCE; TEMPERATURES; TWEEZERS AB RNA polymerase (RNAP) is an essential enzyme for cellular gene expression. In an effort to further understand the enzyme's importance in the cell's response to temperature, we have probed the kinetic mechanism of Escherichia coli RNAP by studying the force-velocity behavior of individual RNAP complexes at temperatures between 7 and 45 degrees C using optical tweezers. Within this temperature range and at saturating nucleotide concentrations, the pause-free transcription velocity of RNAP was independent of force and increased monotonically with temperature with an elongation activation energy of 9.7 +/- 0.7 kcal/mol. Interestingly, the pause density at cold temperatures (7 to 21 degrees C) was five times higher than that measured above room temperature. A simple kinetic model revealed a value of 1.29 +/- 0.05 kcal/mol for the activation energy of pause entry, suggesting that pause entry is indeed a thermally accessible process. The dwell time distribution of all observable pauses was independent of temperature, directly confirming a prediction of the model recently proposed for Pol II in which pauses are diffusive backtracks along the DNA. Additionally, we find that the force at which the polymerase arrests (the arrest force) presents a maximum at 21 degrees C, an unexpected result as this is not the optimum temperature for bacterial growth. This observation suggests that arrest could play a regulatory role in vivo, possibly through interactions with specific elongation factors. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Bustamante, Carlos] Univ Calif Berkeley, Dept Mol & Cell Biol, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Mejia, Yara X.] Univ Calif Berkeley, Grad Grp Appl Sci & Technol, Berkeley, CA 94720 USA. [Mao, Hanbin] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Bustamante, Carlos] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Bustamante, C (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, Howard Hughes Med Inst, 642 Stanley Hall, Berkeley, CA 94720 USA. EM carlos@alice.berkeley.edu RI Forde, Nancy/D-8865-2015 FU National Institutes of Health [GM32543]; U.S. Department of Energy [DE-AC03-76SF00098] FX This work was funded by National Institutes of Health grant GM32543 and by U.S. Department of Energy grants DE-AC03-76SF00098 (C.B.), "Microscopies of Molecular Machines" (C.B.), and "Advanced Instrumentations for Microscopies of Molecular Machines" (C.B.). NR 35 TC 38 Z9 38 U1 0 U2 4 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 J9 J MOL BIOL JI J. Mol. Biol. PD OCT 10 PY 2008 VL 382 IS 3 BP 628 EP 637 DI 10.1016/j.jmb.2008.06.079 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 357ZR UT WOS:000259886400007 PM 18647607 ER PT J AU Cort, JR Selan, U Schulte, A Grimm, F Kennedy, MA Dahl, C AF Cort, John R. Selan, Ute Schulte, Andrea Grimm, Frauke Kennedy, Michael A. Dahl, Christiane TI Allochromatium vinosum DsrC: Solution-state NMR structure, redox properties, and interaction with DsrEFH, a protein essential for purple sulfur bacterial sulfur oxidation SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE dissimilatory sulfite reductase; DsrC; sulfur oxidation; NMR solution structure; anoxygenic phototrophic sulfur bacteria ID DISSIMILATORY SULFITE REDUCTASE; SULFATE RESPIRATION; CHROMATIUM-VINOSUM; DSRMKJOP COMPLEX; GENES; EXPRESSION; SUBUNIT; CLONING; PURIFICATION; PROKARYOTES AB Sequenced genomes of dissimilatory sulfur-oxidizing and sulfate-reducing bacteria containing genes coding for DsrAB, the enzyme dissimilatory sulfite reductase, inevitably also contain the gene coding for the 12-kDa DsrC protein. DsrC is thought to have a yet unidentified role associated with the activity of DsrAB. Here we report the solution structure of DsrC from the sulfur-oxidizing purple sulfur bacterium Allochromatium vinosum determined with NMR spectroscopy in reducing conditions, and we describe the redox behavior of two conserved cysteine residues upon transfer to an oxidizing environment. In reducing conditions, the DsrC structure is disordered in the highly conserved carboxy-terminus. We present multiple lines of evidence that, in oxidizing conditions, a strictly conserved cysteine (Cys111) at the penultimate position in the sequence forms an intramolecular disulfide bond with Cys100, which is conserved in DsrC in all organisms with DsrAB. While an intermolecular Cys111-Cys111 disulfide-bonded dimer is rapidly formed under oxidizing conditions, the intramolecularly disulfide-bonded species (Cys100-Cys111) is the thermodynamically stable form of the protein under these conditions. Treatment of the disulfidic forms with reducing agent regenerates the monomeric species that was structurally characterized. Using a band-shift technique under nondenaturing conditions, we obtained evidence for the interaction of DsrC with heterohexameric DsrEFH, a protein encoded in the same operon. Mutation of Cys100 to serine prevented formation of the DsrC species assigned as an intramolecular disulfide in oxidizing conditions, while still allowing formation of the intermolecular Cys111-Cys111 dimer. In the reduced form, this mutant protein still interacted with DsrEFH. This was not the case for the Cys111Ser and Cys100Ser/Cys111Ser mutants, both of which also did not form protein dimers. Our observations highlight the central importance of the carboxy-terminal DsrC cysteine residues and are consistent with a role as a sulfur-substrate binding/transferring protein, as well as with an electron-transfer function via thiol-disulfide interchanges. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Selan, Ute; Schulte, Andrea; Grimm, Frauke; Dahl, Christiane] Univ Bonn, Inst Mikrobiol & Biotechnol, D-53115 Bonn, Germany. [Kennedy, Michael A.] Miami Univ, Dept Chem & Biochem, Oxford, OH 45056 USA. [Cort, John R.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Cort, John R.] Washington State Univ, Richland, WA 99354 USA. RP Dahl, C (reprint author), Univ Bonn, Inst Mikrobiol & Biotechnol, Meckenheimer Allee 168, D-53115 Bonn, Germany. EM ChDahl@uni-bonn.de OI Dahl, Christiane/0000-0001-8288-7546 FU Deutsche Forschungsgemeinschaft [Da 351/3-4, Da 351/3-5]; National Institutes of Health Protein Structure Initiative [P50-GM62413-02] FX NMR spectra were acquired at the Environmental Molecular Sciences Laboratory (a national scientific user facility sponsored by the US Department of Energy, Office of Biological and Environmental Research) located at Pacific Northwest National Laboratory and operated for Department of Energy by Battelle(contract KP130103). This work was supported by Deutsche Forschungsgemeinschaft grants Da 351/34 and Da 351/3-5 to C.D. J.R.C. and M.A.K. acknowledge support from the National Institutes of Health Protein Structure Initiative (grant P50-GM62413-02). NR 46 TC 32 Z9 32 U1 2 U2 5 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 EI 1089-8638 J9 J MOL BIOL JI J. Mol. Biol. PD OCT 10 PY 2008 VL 382 IS 3 BP 692 EP 707 DI 10.1016/j.jmb.2008.07.022 PG 16 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 357ZR UT WOS:000259886400012 PM 18656485 ER PT J AU Dolocan, V Dolocan, A Dolocan, VO AF Dolocan, Voicu Dolocan, Andrei Dolocan, Voicu Octavian TI RELATION OF INTER-ATOMIC FORCES IN SOLIDS TO BULK MODULUS, COHESIVE ENERGY AND THERMAL EXPANSION SO MODERN PHYSICS LETTERS B LA English DT Article DE Inorganic compounds; elastic properties; crystal structure; thermal properties; chemical bonds ID CONSTANTS; DIAMOND; HALIDES AB We present theoretical expressions relating the cohesive energy to the bulk modulus, the force constant and the lattice constant applicable to solids with a variety of crystal structures. We have found that the cohesive energy is directly proportional to the ratio between the product of the bulk modulus through the atomic volume and the exponent of the repulsion term. We have defined a figure of merit for materials as the ratio between the product of the bulk modulus through the atomic volume and the cohesive energy. The reciprocal of this ratio is a measure of the hardness of materials. Likewise, we have found the expressions for anharmonicity and thermal expansion coefficients, which can explain, also, their possible negative values. C1 [Dolocan, Voicu] Univ Bucharest, Fac Phys, Bucharest, Romania. [Dolocan, Andrei] Brookhaven Natl Lab, New York, NY USA. [Dolocan, Voicu Octavian] CEA Saclay, Saclay, France. RP Dolocan, V (reprint author), Univ Bucharest, Fac Phys, Bucharest, Romania. RI Dolocan, Voicu Octavian/C-8956-2009 OI Dolocan, Voicu Octavian/0000-0001-8991-261X NR 25 TC 4 Z9 4 U1 1 U2 7 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-9849 J9 MOD PHYS LETT B JI Mod. Phys. Lett. B PD OCT 10 PY 2008 VL 22 IS 25 BP 2481 EP 2492 DI 10.1142/S0217984908017096 PG 12 WC Physics, Applied; Physics, Condensed Matter; Physics, Mathematical SC Physics GA 363OD UT WOS:000260275700003 ER PT J AU Adamson, P Andreopoulos, C Arms, KE Armstrong, R Auty, DJ Ayres, DS Baller, B Barr, G Barrett, WL Becker, BR Belias, A Bernstein, RH Bhattacharya, D Bishai, M Blake, A Bock, GJ Boehm, J Boehnlein, DJ Bogert, D Bower, C Buckley-Geer, E Cavanaugh, S Chapman, JD Cherdack, D Childress, S Choudhary, BC Coleman, SJ Culling, AJ de Jong, JK Diwan, MV Dorman, M Dytman, SA Escobar, CO Evans, JJ Harris, EF Feldman, GJ Frohne, MV Gallagher, HR Goodman, MC Gouffon, P Gran, R Grashorn, EW Grossman, N Grzelak, K Habig, A Harris, D Harris, PG Hartnell, J Hatcher, R Heller, K Himmel, A Holin, A Hylen, J Irwin, GM Ishitsuka, M Jaffe, DE James, C Jensen, D Kafka, T Kasahara, SMS Kim, JJ Koizumi, G Kopp, S Kordosky, M Koskinen, DJ Kreymer, A Kumaratunga, S Lang, K Ling, J Litchfield, PJ Litchfield, RP Loiacono, L Lucas, P Ma, J Mann, WA Marshak, ML Marshall, JS Mayer, N McGowan, AM Meier, JR Messier, MD Metelko, CJ Michael, DG Miller, JL Miller, WH Mishra, SR Moore, CD Morfin, J Mualem, L Mufson, S Murgia, S Musser, J Naples, D Nelson, JK Newman, HB Nichol, RJ Nicholls, TC Ochoa-Ricoux, JP Oliver, WP Ospanov, R Paley, J Paolone, V Para, A Patzak, T Pavlovic, Z Pawloski, G Pearce, GF Peck, CW Petyt, DA Pittam, R Plunkett, RK Rahaman, A Rameika, RA Raufer, TM Rebel, B Reichenbacher, J Rodrigues, PA Rosenfeld, C Rubin, HA Sanchez, MC Saoulidou, N Schneps, J Schreiner, P Shanahan, P Smart, W Sousa, A Speakman, B Stamoulis, P Strait, M Tagg, N Talaga, RL Tavera, MA Thomas, J Thompson, J Thomson, MA Thron, JL Tinti, G Tzanakos, G Urheim, J Vahle, P Viren, B Watabe, M Weber, A Webb, RC Wehmann, A West, N White, C Wojcicki, SG Yang, T Zois, M Zhang, K Zwaska, R AF Adamson, P. Andreopoulos, C. Arms, K. E. Armstrong, R. Auty, D. J. Ayres, D. S. Baller, B. Barr, G. Barrett, W. L. Becker, B. R. Belias, A. Bernstein, R. H. Bhattacharya, D. Bishai, M. Blake, A. Bock, G. J. Boehm, J. Boehnlein, D. J. Bogert, D. Bower, C. Buckley-Geer, E. Cavanaugh, S. Chapman, J. D. Cherdack, D. Childress, S. Choudhary, B. C. Coleman, S. J. Culling, A. J. de Jong, J. K. Diwan, M. V. Dorman, M. Dytman, S. A. Escobar, C. O. Evans, J. J. Harris, E. Falk Feldman, G. J. Frohne, M. V. Gallagher, H. R. Goodman, M. C. Gouffon, P. Gran, R. Grashorn, E. W. Grossman, N. Grzelak, K. Habig, A. Harris, D. Harris, P. G. Hartnell, J. Hatcher, R. Heller, K. Himmel, A. Holin, A. Hylen, J. Irwin, G. M. Ishitsuka, M. Jaffe, D. E. James, C. Jensen, D. Kafka, T. Kasahara, S. M. S. Kim, J. J. Koizumi, G. Kopp, S. Kordosky, M. Koskinen, D. J. Kreymer, A. Kumaratunga, S. Lang, K. Ling, J. Litchfield, P. J. Litchfield, R. P. Loiacono, L. Lucas, P. Ma, J. Mann, W. A. Marshak, M. L. Marshall, J. S. Mayer, N. McGowan, A. M. Meier, J. R. Messier, M. D. Metelko, C. J. Michael, D. G. Miller, J. L. Miller, W. H. Mishra, S. R. Moore, C. D. Morfin, J. Mualem, L. Mufson, S. Murgia, S. Musser, J. Naples, D. Nelson, J. K. Newman, H. B. Nichol, R. J. Nicholls, T. C. Ochoa-Ricoux, J. P. Oliver, W. P. Ospanov, R. Paley, J. Paolone, V. Para, A. Patzak, T. Pavlovic, Z. Pawloski, G. Pearce, G. F. Peck, C. W. Petyt, D. A. Pittam, R. Plunkett, R. K. Rahaman, A. Rameika, R. A. Raufer, T. M. Rebel, B. Reichenbacher, J. Rodrigues, P. A. Rosenfeld, C. Rubin, H. A. Sanchez, M. C. Saoulidou, N. Schneps, J. Schreiner, P. Shanahan, P. Smart, W. Sousa, A. Speakman, B. Stamoulis, P. Strait, M. Tagg, N. Talaga, R. L. Tavera, M. A. Thomas, J. Thompson, J. Thomson, M. A. Thron, J. L. Tinti, G. Tzanakos, G. Urheim, J. Vahle, P. Viren, B. Watabe, M. Weber, A. Webb, R. C. Wehmann, A. West, N. White, C. Wojcicki, S. G. Yang, T. Zois, M. Zhang, K. Zwaska, R. CA MINOS Collaboration TI Testing Lorentz Invariance and CPT Conservation with NuMI Neutrinos in the MINOS Near Detector SO PHYSICAL REVIEW LETTERS LA English DT Article ID STANDARD MODEL; VIOLATION AB A search for a sidereal modulation in the MINOS near detector neutrino data was performed. If present, this signature could be a consequence of Lorentz and CPT violation as predicted by the effective field theory called the standard-model extension. No evidence for a sidereal signal in the data set was found, implying that there is no significant change in neutrino propagation that depends on the direction of the neutrino beam in a sun-centered inertial frame. Upper limits on the magnitudes of the Lorentz and CPT violating terms in the standard-model extension lie between 10(-4) and 10(-2) of the maximum expected, assuming a suppression of these signatures by a factor of 10(-17). C1 [Ayres, D. S.; Goodman, M. C.; McGowan, A. M.; Reichenbacher, J.; Sanchez, M. C.; Talaga, R. L.; Thron, J. L.] Argonne Natl Lab, Argonne, IL 60439 USA. [Stamoulis, P.; Tzanakos, G.; Zois, M.] Univ Athens, Dept Phys, GR-15771 Athens, Greece. [Frohne, M. V.; Schreiner, P.] Benedictine Univ, Dept Phys, Lisle, IL 60532 USA. [Bishai, M.; Diwan, M. V.; Jaffe, D. E.; Viren, B.; Zhang, K.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Himmel, A.; Mualem, L.; Newman, H. B.; Ochoa-Ricoux, J. P.; Peck, C. W.] CALTECH, Lauritsen Lab, Pasadena, CA 91125 USA. [Blake, A.; Chapman, J. D.; Culling, A. J.; Marshall, J. S.; Thomson, M. A.] Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England. [Escobar, C. O.] Univ Estadual Campinas, IF UNICAMP, BR-13083970 Campinas, SP, Brazil. [Patzak, T.] Univ Paris 07, APC, F-75205 Paris 13, France. [Adamson, P.; Baller, B.; Bernstein, R. H.; Bock, G. J.; Boehnlein, D. J.; Bogert, D.; Buckley-Geer, E.; Childress, S.; Choudhary, B. C.; Grossman, N.; Harris, D.; Hatcher, R.; Hylen, J.; James, C.; Jensen, D.; Koizumi, G.; Kreymer, A.; Lucas, P.; Moore, C. D.; Para, A.; Plunkett, R. K.; Rameika, R. A.; Rebel, B.; Shanahan, P.; Smart, W.; Wehmann, A.; Zwaska, R.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Boehm, J.; Cavanaugh, S.; Feldman, G. J.] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. [de Jong, J. K.; Rubin, H. A.; White, C.] IIT, Div Phys, Chicago, IL 60616 USA. [Armstrong, R.; Bower, C.; Ishitsuka, M.; Messier, M. D.; Mufson, S.; Musser, J.; Paley, J.; Urheim, J.] Indiana Univ, Bloomington, IN 47405 USA. [Miller, J. L.] James Madison Univ, Dept Phys, Harrisonburg, VA 22807 USA. [Holin, A.; Koskinen, D. J.; Nichol, R. J.; Thomas, J.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Arms, K. E.; Becker, B. R.; Grashorn, E. W.; Heller, K.; Kasahara, S. M. S.; Kumaratunga, S.; Litchfield, P. J.; Marshak, M. L.; Meier, J. R.; Miller, W. H.; Petyt, D. A.; Speakman, B.] Univ Minnesota, Minneapolis, MN 55455 USA. [Gran, R.; Habig, A.] Univ Minnesota, Dept Phys, Duluth, MN 55812 USA. [Barr, G.; Litchfield, R. P.; Pittam, R.; Rodrigues, P. A.; Tinti, G.; Weber, A.; West, N.] Univ Oxford, Subdept Particle Phys, Oxford OX1 3RH, England. [Bhattacharya, D.; Dytman, S. A.; Naples, D.; Paolone, V.; Thompson, J.] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. [Andreopoulos, C.; Belias, A.; Metelko, C. J.; Nicholls, T. C.; Pearce, G. F.; Raufer, T. M.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Gouffon, P.] Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, Brazil. [Kim, J. J.; Ling, J.; Mishra, S. R.; Rahaman, A.; Rosenfeld, C.] Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. [Irwin, G. M.; Murgia, S.; Pawloski, G.; Wojcicki, S. G.; Yang, T.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Auty, D. J.; Harris, E. Falk; Harris, P. G.; Tavera, M. A.] Univ Sussex, Dept Phys & Astron, Brighton BN1 9QH, E Sussex, England. [Watabe, M.; Webb, R. C.] Texas A&M Univ, Dept Phys, College Stn, TX 77843 USA. [Lang, K.; Loiacono, L.; Ma, J.; Ospanov, R.; Pavlovic, Z.] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Cherdack, D.; Gallagher, H. R.; Kafka, T.; Mann, W. A.; Oliver, W. P.; Schneps, J.; Tagg, N.] Tufts Univ, Dept Phys, Medford, MA 02155 USA. [Grzelak, K.] Warsaw Univ, Dept Phys, PL-00681 Warsaw, Poland. [Barrett, W. L.] Western Washington Univ, Dept Phys, Bellingham, WA 98225 USA. [Coleman, S. J.; Nelson, J. K.] Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. RP Adamson, P (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Ling, Jiajie/I-9173-2014; Nichol, Ryan/C-1645-2008; Harris, Philip/I-7419-2012; Tinti, Gemma/I-5886-2013; Inst. of Physics, Gleb Wataghin/A-9780-2017; Koskinen, David/G-3236-2014; Evans, Justin/P-4981-2014; Gouffon, Philippe/I-4549-2012; OI Cherdack, Daniel/0000-0002-3829-728X; Weber, Alfons/0000-0002-8222-6681; Ochoa-Ricoux, Juan Pedro/0000-0001-7376-5555; Ling, Jiajie/0000-0003-2982-0670; Harris, Philip/0000-0003-4369-3874; COLEMAN, STEPHEN/0000-0002-4621-9169; Hartnell, Jeffrey/0000-0002-1744-7955; Koskinen, David/0000-0002-0514-5917; Evans, Justin/0000-0003-4697-3337; Gouffon, Philippe/0000-0001-7511-4115; Bernstein, Robert/0000-0002-7610-950X FU U.S. DOE; UK STFC; U.S. NSF; State and University of Minnesota; University of Athens, Greece, and Brazil's FAPESP; CNPq FX We gratefully acknowledge the many valuable conversations with Alan Kostelecky during the course of this work. This work was supported by the U.S. DOE, the UK STFC, the U.S. NSF, the State and University of Minnesota, the University of Athens, Greece, and Brazil's FAPESP and CNPq. We are grateful to the Minnesota Department of Natural Resources, the crew of the Soudan Underground Laboratory, and the staff of Fermilab for their contribution to this effort. NR 29 TC 62 Z9 62 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 OCT 10 PY 2008 VL 101 IS 15 AR 151601 DI 10.1103/PhysRevLett.101.151601 PG 5 WC Physics, Multidisciplinary SC Physics GA 359CY UT WOS:000259965000012 PM 18999585 ER PT J AU Christianson, AD Lumsden, MD Delaire, O Stone, MB Abernathy, DL McGuire, MA Sefat, AS Jin, R Sales, BC Mandrus, D Mun, ED Canfield, PC Lin, JYY Lucas, M Kresch, M Keith, JB Fultz, B Goremychkin, EA McQueeney, RJ AF Christianson, A. D. Lumsden, M. D. Delaire, O. Stone, M. B. Abernathy, D. L. McGuire, M. A. Sefat, A. S. Jin, R. Sales, B. C. Mandrus, D. Mun, E. D. Canfield, P. C. Lin, J. Y. Y. Lucas, M. Kresch, M. Keith, J. B. Fultz, B. Goremychkin, E. A. McQueeney, R. J. TI Phonon Density of States of LaFeAsO(1-x)F(x) SO PHYSICAL REVIEW LETTERS LA English DT Article ID 43 K; SUPERCONDUCTIVITY; LAO1-XFXFEAS; COMPOUND; GAPS AB We have studied the phonon density of states (PDOS) in LaFeAsO(1-x)F(x) with inelastic neutron scattering methods. The PDOS of the parent compound (x=0) is very similar to the PDOS of samples optimally doped with fluorine to achieve the maximum T(c) (x similar to 0.1). Good agreement is found between the experimental PDOS and first-principles calculations with the exception of a small difference in Fe mode frequencies. The PDOS reported here is not consistent with conventional electron-phonon mediated superconductivity. C1 [Christianson, A. D.; Lumsden, M. D.; Stone, M. B.; Abernathy, D. L.; McGuire, M. A.; Sefat, A. S.; Jin, R.; Sales, B. C.; Mandrus, D.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Delaire, O.; Lin, J. Y. Y.; Lucas, M.; Kresch, M.; Keith, J. B.; Fultz, B.] CALTECH, W M Keck Lab, Pasadena, CA 91125 USA. [Mun, E. D.; Canfield, P. C.; McQueeney, R. J.] Iowa State Univ Sci & Technol, Ames Lab, Ames, IA 50011 USA. [Mun, E. D.; Canfield, P. C.; McQueeney, R. J.] Iowa State Univ Sci & Technol, Dept Phys & Astron, Ames, IA 50011 USA. [Goremychkin, E. A.] Argonne Natl Lab, Argonne, IL 60439 USA. [Goremychkin, E. A.] Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England. RP Christianson, AD (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RI Sefat, Athena/R-5457-2016; McGuire, Michael/B-5453-2009; Stone, Matthew/G-3275-2011; Abernathy, Douglas/A-3038-2012; Lumsden, Mark/F-5366-2012; Mandrus, David/H-3090-2014; Canfield, Paul/H-2698-2014; Lin, Jiao/A-2529-2016; McQueeney, Robert/A-2864-2016; christianson, andrew/A-3277-2016; BL18, ARCS/A-3000-2012 OI Sefat, Athena/0000-0002-5596-3504; McGuire, Michael/0000-0003-1762-9406; Stone, Matthew/0000-0001-7884-9715; Abernathy, Douglas/0000-0002-3533-003X; Lumsden, Mark/0000-0002-5472-9660; Lin, Jiao/0000-0001-9233-0100; McQueeney, Robert/0000-0003-0718-5602; christianson, andrew/0000-0003-3369-5884; FU US Department of Energy Basic Energy Sciences [DE-AC02-07CH11358]; U. S. Department of Energy Office of Science [DE-AC02-06CH11357]; NSF [DMR-0520547] FX We thank D. J. Singh and M. H. Du for providing their calculations. The portions of this work conducted at Oak Ridge National Laboratory were supported by the Scientific User Facilities Division and by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, DOE. Work at the Ames Laboratory was supported by the US Department of Energy Basic Energy Sciences under Contract No. DE-AC02-07CH11358. This work was supported by the U. S. Department of Energy Office of Science, under Contract No. DE-AC02-06CH11357. This work benefitted from DANSE software developed under NSF Grant No. DMR-0520547. NR 29 TC 51 Z9 52 U1 4 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 OCT 10 PY 2008 VL 101 IS 15 AR 157004 DI 10.1103/PhysRevLett.101.157004 PG 4 WC Physics, Multidisciplinary SC Physics GA 359CY UT WOS:000259965000056 PM 18999629 ER PT J AU He, LX Gong, M Li, CF Guo, GC Zunger, A AF He, Lixin Gong, Ming Li, Chuan-Feng Guo, Guang-Can Zunger, Alex TI Highly Reduced Fine-Structure Splitting in InAs/InP Quantum Dots Offering an Efficient On-Demand Entangled 1.55-mu m Photon Emitter SO PHYSICAL REVIEW LETTERS LA English DT Article ID PSEUDOPOTENTIAL THEORY; VIOLATION AB To generate entangled photon pairs via quantum dots (QDs), the exciton fine-structure splitting (FSS) must be comparable to the exciton homogeneous linewidth. Yet in the (In,Ga)As/GaAs QD, the intrinsic FSS is about a few tens mu eV. To achieve photon entanglement, it is necessary to cherry-pick a sample with extremely small FSS from a large number of samples or to apply a strong in-plane magnetic field. Using theoretical modeling of the fundamental causes of FSS in QDs, we predict that the intrinsic FSS of InAs/InP QDs is an order of magnitude smaller than that of InAs/GaAs dots, and, better yet, their excitonic gap matches the 1.55 mu m fiber optic wavelength and, therefore, offers efficient on-demand entangled photon emitters for long distance quantum communication. C1 [He, Lixin; Gong, Ming; Li, Chuan-Feng; Guo, Guang-Can] Univ Sci & Technol China, Key Lab Quantum Informat, Hefei 230026, Peoples R China. [Zunger, Alex] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP He, LX (reprint author), Univ Sci & Technol China, Key Lab Quantum Informat, Hefei 230026, Peoples R China. EM helx@ustc.edu.cn RI Gong, Ming/A-3035-2012; Zunger, Alex/A-6733-2013 FU CNFR [2006CB921900]; NSFC [10674124]; U. S. DOE-SC-BES-DMS; NREL [DE-AC36-99GO10337] FX L. H. acknowledges the support from the CNFR Program 2006CB921900 and NSFC (Grant No. 10674124). A. Z. acknowledges support from U. S. DOE-SC-BES-DMS, LAB-17 initiative, under Contract No. DE-AC36-99GO10337 to NREL. NR 25 TC 39 Z9 40 U1 1 U2 11 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 OCT 10 PY 2008 VL 101 IS 15 AR 157405 DI 10.1103/PhysRevLett.101.157405 PG 4 WC Physics, Multidisciplinary SC Physics GA 359CY UT WOS:000259965000068 PM 18999641 ER PT J AU Martin, I Batista, CD AF Martin, Ivar Batista, C. D. TI Itinerant Electron-Driven Chiral Magnetic Ordering and Spontaneous Quantum Hall Effect in Triangular Lattice Models SO PHYSICAL REVIEW LETTERS LA English DT Article ID PHASE-TRANSITION; FERROMAGNET AB We study the Kondo Lattice and the Hubbard models on a triangular lattice. We find that at the mean-field level, these rotationally invariant models naturally support a noncoplanar chiral magnetic ordering. It appears as a weak-coupling instability at the band filling factor 3/4 due to the perfect nesting of the itinerant electron Fermi surface. This ordering is a triangular-lattice counterpart of the collinear Neel ordering that occurs on the half-filled square lattice. While the long-range magnetic ordering is destroyed by thermal fluctuations, the chirality can persist up to a finite temperature, causing a spontaneous quantum Hall effect in the absence of any externally applied magnetic field. C1 [Martin, Ivar; Batista, C. D.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Martin, I (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RI Batista, Cristian/J-8008-2016 FU LANL/LDRD FX We acknowledge useful discussions with D. Arovas, A. Auerbach, L. Boulaevskii, and N. Read. 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- 06NA25396 and supported by the LANL/LDRD Program. NR 19 TC 102 Z9 102 U1 4 U2 15 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 OCT 10 PY 2008 VL 101 IS 15 AR 156402 DI 10.1103/PhysRevLett.101.156402 PG 4 WC Physics, Multidisciplinary SC Physics GA 359CY UT WOS:000259965000048 PM 18999621 ER PT J AU Okamoto, S Maier, TA AF Okamoto, Satoshi Maier, Thomas A. TI Enhanced Superconductivity in Superlattices of High-T-c Cuprates SO PHYSICAL REVIEW LETTERS LA English DT Article ID D-WAVE SUPERCONDUCTIVITY; VALENCE-BOND STATE; MEAN-FIELD-THEORY; HUBBARD-MODEL; ATOMIC-SCALE; INSULATOR AB The electronic properties of multilayers of strongly correlated models for cuprate superconductors are investigated using cluster dynamical mean-field techniques. We focus on combinations of underdoped and overdoped layers and find that the superconducting order parameter in the overdoped layers is enhanced by the proximity effect of the strong pairing scale originating from the underdoped layers. The enhanced order parameter can even exceed the maximum value in uniform systems. This behavior is well reproduced in slave-boson mean-field calculations which also find higher transition temperatures than in the uniform system. C1 [Okamoto, Satoshi] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Maier, Thomas A.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Maier, Thomas A.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Okamoto, S (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RI Okamoto, Satoshi/G-5390-2011; Maier, Thomas/F-6759-2012 OI Okamoto, Satoshi/0000-0002-0493-7568; Maier, Thomas/0000-0002-1424-9996 FU Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U. S. Department of Energy FX The authors thank H. Seo, M. Hayashi, and D. J. Scalapino for their discussions. S. O. acknowledges kind suggestions by B. Kyung, A.-M. S. Tremblay, and M. Eisenbach for developing a numerical code. This work was supported by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U. S. Department of Energy. A portion of this research at Oak Ridge National Laboratory's Center for Nanophase Materials Sciences was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U. S. Department of Energy. NR 30 TC 34 Z9 34 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 OCT 10 PY 2008 VL 101 IS 15 AR 156401 DI 10.1103/PhysRevLett.101.156401 PG 4 WC Physics, Multidisciplinary SC Physics GA 359CY UT WOS:000259965000047 PM 18999620 ER PT J AU Sacepe, B Chapelier, C Baturina, TI Vinokur, VM Baklanov, MR Sanquer, M AF Sacepe, B. Chapelier, C. Baturina, T. I. Vinokur, V. M. Baklanov, M. R. Sanquer, M. TI Disorder-Induced Inhomogeneities of the Superconducting State Close to the Superconductor-Insulator Transition SO PHYSICAL REVIEW LETTERS LA English DT Article ID TIN FILMS; PHASE; AMPLITUDE; SYSTEMS AB Scanning tunneling spectroscopy at very low temperatures on homogeneously disordered superconducting titanium nitride thin films reveals strong spatial inhomogeneities of the superconducting gap Delta in the density of states. Upon increasing disorder, we observe suppression of the superconducting critical temperature T-c towards zero, enhancement of spatial fluctuations in Delta, and growth of the Delta/T-c ratio. These findings suggest that local superconductivity survives across the disorder-driven superconductor-insulator transition. C1 [Sacepe, B.; Chapelier, C.; Sanquer, M.] SPSMS LaTEQS, INAC, CEA, F-38054 Grenoble, France. [Baturina, T. I.] Inst Semicond Phys, Novosibirsk 630090, Russia. [Vinokur, V. M.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Baklanov, M. R.] IMEC, B-3001 Louvain, Belgium. RP Sacepe, B (reprint author), SPSMS LaTEQS, INAC, CEA, F-38054 Grenoble, France. RI sanquer, marc/A-7786-2010; Sacepe, Benjamin/D-5734-2014 OI Sacepe, Benjamin/0000-0001-5943-9999 FU Russian Academy of Sciences; Russian Foundation for Basic Research [06-02-16704]; U. S. Department of Energy Office of Science [DE-AC02-06CH11357] FX We are grateful to M. Feigel' man for stimulating comments on this work and thank B. Altshuler, A. Finkel' stein, O. Fischer, M. Houzet, Y. Imry, V. Mineev, and A. Varlamov for fruitful discussions. This research is supported by the Program "Quantum macrophysics'' of the Russian Academy of Sciences, the Russian Foundation for Basic Research (Grant No. 06-02-16704), and the U. S. Department of Energy Office of Science under Contract No. DE-AC02-06CH11357. NR 34 TC 134 Z9 134 U1 2 U2 28 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 OCT 10 PY 2008 VL 101 IS 15 AR 157006 DI 10.1103/PhysRevLett.101.157006 PG 4 WC Physics, Multidisciplinary SC Physics GA 359CY UT WOS:000259965000058 PM 18999631 ER PT J AU Varykhalov, A Sanchez-Barriga, J Shikin, AM Biswas, C Vescovo, E Rybkin, A Marchenko, D Rader, O AF Varykhalov, A. Sanchez-Barriga, J. Shikin, A. M. Biswas, C. Vescovo, E. Rybkin, A. Marchenko, D. Rader, O. TI Electronic and Magnetic Properties of Quasifreestanding Graphene on Ni SO PHYSICAL REVIEW LETTERS LA English DT Article ID EPITAXIAL GRAPHENE; SPIN TRANSPORT; GRAPHITE; FILMS; INTERCALATION; SPECTROSCOPY; MONOLAYER; SUBSTRATE; NI(111); BANDGAP AB For the purpose of recovering the intriguing electronic properties of freestanding graphene at a solid surface, graphene self-organized on a Au monolayer on Ni(111) is prepared and characterized by scanning tunneling microscopy. Angle-resolved photoemission reveals a gapless linear pi-band dispersion near (K) over bar as a fingerprint of strictly monolayer graphene and a Dirac crossing energy equal to the Fermi energy (E-F) within 25 meV meaning charge neutrality. Spin resolution shows a Rashba effect on the pi states with a large (similar to 13 meV) spin-orbit splitting up to E-F which is independent of k. C1 [Varykhalov, A.; Sanchez-Barriga, J.; Biswas, C.; Rader, O.] BESSY, D-12489 Berlin, Germany. [Shikin, A. M.; Rybkin, A.; Marchenko, D.] St Petersburg State Univ, VA Fock Inst Phys, St Petersburg 198504, Russia. [Vescovo, E.] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Varykhalov, A (reprint author), BESSY, Albert Einstein Str 15, D-12489 Berlin, Germany. RI Rybkin, Artem/J-8510-2013; Shikin, Alexander/M-7405-2013; Rader, Oliver/H-8498-2013; Varykhalov, Andrei/I-3571-2013; Marchenko, Dmitry/H-5242-2013; Sanchez-Barriga, Jaime/I-3493-2013; Maji, Chhayabrita/D-2043-2015 OI Rybkin, Artem/0000-0002-8237-4959; Shikin, Alexander/0000-0002-2476-1248; Rader, Oliver/0000-0003-3639-0971; Varykhalov, Andrei/0000-0002-7901-3562; Marchenko, Dmitry/0000-0003-1496-4161; Sanchez-Barriga, Jaime/0000-0001-9947-6700; Maji, Chhayabrita/0000-0001-8891-3346 FU DFG [RA1041/1-1, 436RUS113/735/0-2]; RFFI [08-03-00410]; European Union [MTKD-CT-2004-003178] FX We would like to thank J. Fink and Th. Seyller for fruitful discussions and A. Vollmer and R. Follath for kind support and acknowledge grants by DFG (No. RA1041/1-1 and No. 436RUS113/735/0-2), RFFI (No. 08-03-00410), and for C. B. and E. V. by the European Union (No. MTKD-CT-2004-003178). NR 33 TC 423 Z9 427 U1 10 U2 110 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 10 PY 2008 VL 101 IS 15 AR 157601 DI 10.1103/PhysRevLett.101.157601 PG 4 WC Physics, Multidisciplinary SC Physics GA 359CY UT WOS:000259965000071 PM 18999644 ER PT J AU Zhang, LX Da Silva, JLF Li, JB Yan, YF Gessert, TA Wei, SH AF Zhang, Lixin Da Silva, Juarez L. F. Li, Jingbo Yan, Yanfa Gessert, T. A. Wei, Su-Huai TI Effect of Copassivation of Cl and Cu on CdTe Grain Boundaries SO PHYSICAL REVIEW LETTERS LA English DT Article ID POSITIONING TWIN BOUNDARIES; INITIO MOLECULAR-DYNAMICS; CDS/CDTE SOLAR-CELLS; SEMICONDUCTORS; ZNTE AB Using a first-principles method, we investigate the structural and electronic properties of grain boundaries (GBs) in polycrystalline CdTe and the effects of copassivation of elements with far distinct electronegativities. Of the two types of GBs studied in this Letter, we find that the Cd core is less harmful to the carrier transport, but is difficult to passivate with impurities such as Cl and Cu, whereas the Te core creates a high defect density below the conduction band minimum, but all these levels can be removed by copassivation of Cl and Cu. Our analysis indicates that for most polycrystalline systems copassivation or multipassivation is required to passivate the GBs. C1 [Zhang, Lixin; Da Silva, Juarez L. F.; Yan, Yanfa; Gessert, T. A.; Wei, Su-Huai] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Li, Jingbo] Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China. RP Zhang, LX (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. RI Albe, Karsten/F-1139-2011; Da Silva, Juarez L. F./D-1779-2011 OI Da Silva, Juarez L. F./0000-0003-0645-8760 FU U.S. DOE [DE-AC36-99GO10337]; CAS FX The work at NREL is supported by the U.S. DOE under Contract No. DE-AC36-99GO10337. J.B.L. acknowledges financial support from the "One-hundred Talents Plan'' of the CAS. NR 20 TC 53 Z9 53 U1 2 U2 45 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 OCT 10 PY 2008 VL 101 IS 15 AR 155501 DI 10.1103/PhysRevLett.101.155501 PG 4 WC Physics, Multidisciplinary SC Physics GA 359CY UT WOS:000259965000037 PM 18999610 ER PT J AU Zhang, ZR Rousseau, R Gong, JL Li, SC Kay, BD Ge, QF Dohnalek, Z AF Zhang, Zhenrong Rousseau, Roger Gong, Jinlong Li, Shao-Chun Kay, Bruce D. Ge, Qingfeng Dohnalek, Zdenek TI Vacancy-Assisted Diffusion of Alkoxy Species on Rutile TiO(2)(110) SO PHYSICAL REVIEW LETTERS LA English DT Article ID DIRECT VISUALIZATION; SURFACE; DISSOCIATION; ADSORPTION; CHEMISTRY; HYDROGEN; METHANOL; WATER AB Using scanning tunneling microscopy (STM) and density functional theory simulations, we have studied the diffusion of alkoxy species formed by the dissociation of alcohols on bridge-bonded oxygen (BBO) vacancies (BBO(V)'s) on TiO(2)(110). At elevated temperatures (>= 400 K) the sequential isothermal STM images show that mobile BBO(V)'s mediate the diffusion of alkoxy species by providing space for alkyl-group-bearing BBO atom to diffuse into. The experimental findings are further supported by simulations that find that BBO(V) diffusion is the rate limiting step in the overall diffusion mechanism. C1 [Zhang, Zhenrong; Rousseau, Roger; Kay, Bruce D.; Dohnalek, Zdenek] Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. [Zhang, Zhenrong; Rousseau, Roger; Kay, Bruce D.; Dohnalek, Zdenek] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Gong, Jinlong] Univ Texas Austin, Dept Chem Engn, Ctr Mat Chem, Austin, TX 78712 USA. [Li, Shao-Chun] Univ Texas Austin, Dept Chem & Biochem, Ctr Mat Chem, Austin, TX 78712 USA. [Ge, Qingfeng] So Illinois Univ, Dept Chem & Biochem, Carbondale, IL 62901 USA. RP Rousseau, R (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. EM Roger.Rousseau@pnl.gov; Zdenek.Dohnalek@pnl.gov RI Gong, Jinlong/B-6783-2009; Ge, Qingfeng/A-8498-2009; Rousseau, Roger/C-3703-2014; OI Ge, Qingfeng/0000-0001-6026-6693; Zhang, Zhenrong/0000-0003-3969-2326; Dohnalek, Zdenek/0000-0002-5999-7867 FU U.S. Department of Energy Office of Basic Energy Sciences, Chemical and Material Sciences Division; Robert A. Welch Foundation [F-0032]; National Science Foundation [CHE-0412609]; PNNL [DEAC0676RLO 1830] FX We thank N. A. Deskins, M. Dupuis, M. A. Henderson, and N. Govind for useful discussion. This work was supported by the U.S. Department of Energy Office of Basic Energy Sciences, Chemical and Material Sciences Division, Robert A. Welch Foundation (F-0032), and National Science Foundation (CHE-0412609). J.G. would like to acknowledge the support from PNNL through Summer Research Institute. The experimental work as well as the theoretical calculations were performed at W. R. Wiley Environmental Molecular Science Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the U.S. DOE by Battelle under Contract No. DEAC0676RLO 1830. Computational resources were provided by the Molecular Science Computing Facility (EMSL) and the National Energy Research Scientific Computing Center at Lawrence Berkeley National Laboratory. NR 24 TC 21 Z9 21 U1 2 U2 22 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 OCT 10 PY 2008 VL 101 IS 15 AR 156103 DI 10.1103/PhysRevLett.101.156103 PG 4 WC Physics, Multidisciplinary SC Physics GA 359CY UT WOS:000259965000045 PM 18999618 ER PT J AU Chivian, D Brodie, EL Alm, EJ Culley, DE Dehal, PS DeSantis, TZ Gihring, TM Lapidus, A Lin, LH Lowry, SR Moser, DP Richardson, PM Southam, G Wanger, G Pratt, LM Andersen, GL Hazen, TC Brockman, FJ Arkin, AP Onstott, TC AF Chivian, Dylan Brodie, Eoin L. Alm, Eric J. Culley, David E. Dehal, Paramvir S. DeSantis, Todd Z. Gihring, Thomas M. Lapidus, Alla Lin, Li-Hung Lowry, Stephen R. Moser, Duane P. Richardson, Paul M. Southam, Gordon Wanger, Greg Pratt, Lisa M. Andersen, Gary L. Hazen, Terry C. Brockman, Fred J. Arkin, Adam P. Onstott, Tullis C. TI Environmental genomics reveals a single-species ecosystem deep within earth SO SCIENCE LA English DT Article ID COMMUNITY STRUCTURE; SOUTH-AFRICA; SUBSURFACE; DIVERSITY; PROKARYOTES; METABOLISM; BACTERIUM; WATER; SEA AB DNA from low-biodiversity fracture water collected at 2.8-kilometer depth in a South African gold mine was sequenced and assembled into a single, complete genome. This bacterium, Candidatus Desulforudis audaxviator, composes > 99.9% of the microorganisms inhabiting the fluid phase of this particular fracture. Its genome indicates a motile, sporulating, sulfate-reducing, chemoautotrophic thermophile that can fix its own nitrogen and carbon by using machinery shared with archaea. Candidatus Desulforudis audaxviator is capable of an independent life-style well suited to long-term isolation from the photosphere deep within Earth's crust and offers an example of a natural ecosystem that appears to have its biological component entirely encoded within a single genome. C1 [Chivian, Dylan; Dehal, Paramvir S.; Arkin, Adam P.] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Chivian, Dylan; Brodie, Eoin L.; Alm, Eric J.; Dehal, Paramvir S.; DeSantis, Todd Z.; Andersen, Gary L.; Hazen, Terry C.; Arkin, Adam P.] Virtual Inst Microbial Stress & Survival, Berkeley, CA 94720 USA. [Brodie, Eoin L.; DeSantis, Todd Z.; Andersen, Gary L.; Hazen, Terry C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Alm, Eric J.] MIT, Dept Biol Engn, Cambridge, MA 02139 USA. [Alm, Eric J.] MIT, Dept Civil & Environm Engn, Cambridge, MA 02139 USA. [Culley, David E.] Pacific NW Natl Lab, Energy & Efficiency Technol Div, Richland, WA 99352 USA. [Gihring, Thomas M.] Florida State Univ, Dept Oceanog, Tallahassee, FL 32306 USA. [Lapidus, Alla; Lowry, Stephen R.; Richardson, Paul M.] US DOE, Joint Genom Inst, Genom Technol Program, Berkeley, CA 94598 USA. [Lin, Li-Hung] Natl Taiwan Univ, Dept Geosci, Taipei 106, Taiwan. [Moser, Duane P.] Desert Res Inst, Div Earth & Ecosyst Sci, Las Vegas, NV 89119 USA. [Southam, Gordon; Wanger, Greg] Univ Western Ontario, Dept Earth Sci, London, ON N6A 5B7, Canada. [Pratt, Lisa M.] Indiana Univ, Dept Geol Sci, Bloomington, IN 47405 USA. [Pratt, Lisa M.; Hazen, Terry C.; Onstott, Tullis C.] NASA Astrobiol Inst, IPTAI, Bloomington, IN 47405 USA. [Brockman, Fred J.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Arkin, Adam P.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Onstott, Tullis C.] Princeton Univ, Dept Geosci, Princeton, NJ 08544 USA. RP Chivian, D (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. EM DCChivian@lbl.gov RI Brodie, Eoin/A-7853-2008; Andersen, Gary/G-2792-2015; Arkin, Adam/A-6751-2008; Hazen, Terry/C-1076-2012; Lapidus, Alla/I-4348-2013; Lin, Li-Hung/K-8091-2012; Southam, Gordon/D-1983-2013 OI Brodie, Eoin/0000-0002-8453-8435; Andersen, Gary/0000-0002-1618-9827; Arkin, Adam/0000-0002-4999-2931; Hazen, Terry/0000-0002-2536-9993; Lapidus, Alla/0000-0003-0427-8731; Lin, Li-Hung/0000-0002-0985-1464; Southam, Gordon/0000-0002-8941-1249 FU DOE, Office of Science, Office of Biological and Environmental Research, Genomics Program: GTL [DE-AC02-05CH11231]; NASA Astrobiology Institute [NNA01CC03A]; Howard Hughes Medical Institute FX We thank J. Banfield and G. Tyson for helpful discussion; J. Bruckner and B. Baker for assistance with microscopy; F. Warnecke for advice on 16S fluorescent in situ hybridization; T. Kieft, G. Zane, and the MicrobesOnline team (M. Price, K. Keller, and K. Huang) for advice; and D. Kershaw and colleagues at the Mponeng mine and AngloGold Ashanti Limited, RSA. This work was part of the Virtual Institute for Microbial Stress and Survival (http://vimss.lbl.gov), supported by DOE, Office of Science, Office of Biological and Environmental Research, Genomics Program: GTL through contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and DOE. This work was also supported by the NASA Astrobiology Institute through award NNA01CC03A to the IPTAI Team co-directed by L.M.P. and T.C.O. A.P.A. received support from the Howard Hughes Medical Institute. The genome sequence and 16S library sequences reported in this study have been deposited in GenBank under the accession numbers CP000860 and EU730965 to EU731008, respectively. NR 26 TC 159 Z9 161 U1 26 U2 135 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 OCT 10 PY 2008 VL 322 IS 5899 BP 275 EP 278 DI 10.1126/science.1155495 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 358FK UT WOS:000259902300053 PM 18845759 ER PT J AU Xiao, K Tao, J Puretzky, AA Ivanov, IN Retterer, ST Pennycook, SJ Geohegan, DB AF Xiao, Kai Tao, Jing Puretzky, Alex A. Ivanov, Ilia N. Retterer, Scott T. Pennycook, Stephen J. Geohegan, David B. TI Selective Patterned Growth of Single-Crystal Ag-TCNQ Nanowires for Devices by Vapor-Solid Chemical Reaction SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID THIN-FILMS; COPPER-TETRACYANOQUINODIMETHANE; MAGNETIC-PROPERTIES; ORGANIC NANOWIRES; NANOTUBES; DEPOSITION; AGTCNQ; ARCHITECTURES; NANORIBBONS; FABRICATION AB We report the deterministic growth of individual single-crystal organic semiconductor nanowires of silver-tetracyanoquinodimethane (Ag-TCNQ) with high yield (>90%) by a vapor-solid chemical reaction process. Ag-metal films or patterned dots deposited onto substrates serve as chemical reaction centers and are completely consumed during the growth of the individual or multiple nanowires. Selective-area electron diffraction (SAED) revealed that the Ag-TCNQ nanowires grow preferentially along the strong pi-pi stacking direction of Ag-TCNQ molecules. The vapor-solid chemical reaction process described here permits the growth of organic nanowires at lower temperatures than chemical vapor deposition (CVD) of inorganic nanowires. The single-crystal Ag-TCNQ nanowires are shown to act as memory switches with high on/off ratios, making them potentially useful in optical storage, ultrahigh-density nanoscale memory, and logic devices. C1 [Xiao, Kai; Puretzky, Alex A.; Ivanov, Ilia N.; Retterer, Scott T.; Geohegan, David B.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Tao, Jing; Pennycook, Stephen J.; Geohegan, David B.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Retterer, Scott T.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RP Xiao, K (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM xiaok@ornl.gov; geohegandb@ornl.gov RI Retterer, Scott/A-5256-2011; Xiao, Kai/A-7133-2012; ivanov, ilia/D-3402-2015; Puretzky, Alexander/B-5567-2016; Geohegan, David/D-3599-2013 OI Retterer, Scott/0000-0001-8534-1979; Xiao, Kai/0000-0002-0402-8276; ivanov, ilia/0000-0002-6726-2502; Puretzky, Alexander/0000-0002-9996-4429; Geohegan, David/0000-0003-0273-3139 FU Division of Scientific User Facilities, US Department of Energy; Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, US Department of Energy [DE-AC05-00OR22725] FX The authors gratefully acknowledge technical assistance by Pamela Fleming, and H. N. Lee for helpful discussions. 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, US Department of Energy. HRTEM and SEAD analysis (J.T., S.J.P.) funded by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, US Department of Energy under contract DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC. Supporting Information is available online from Wiley InterScience or from the author NR 36 TC 37 Z9 38 U1 5 U2 30 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 OCT 9 PY 2008 VL 18 IS 19 BP 3043 EP 3048 DI 10.1002/adfm.200800430 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 365IE UT WOS:000260398300024 ER PT J AU Lemieux, JF Tremblay, B Thomas, S Sedlacek, J Mysak, LA AF Lemieux, Jean-Francois Tremblay, Bruno Thomas, Stephen Sedlacek, Jan Mysak, Lawrence A. TI Using the preconditioned Generalized Minimum RESidual (GMRES) method to solve the sea-ice momentum equation SO JOURNAL OF GEOPHYSICAL RESEARCH-OCEANS LA English DT Article ID HIGH-RESOLUTION; DYNAMICS; MODEL; CIRCULATION; SIMULATION; SOR AB We introduce the preconditioned generalized minimum residual (GMRES) method, along with an outer loop (OL) iteration to solve the sea-ice momentum equation. The preconditioned GMRES method is the linear solver. GMRES together with the OL is used to solve the nonlinear momentum equation. The GMRES method has low storage requirements, and it is computationally efficient and parallelizable. It was found that the preconditioned GMRES method is about 16 times faster than a stand-alone successive overrelaxation (SOR) solver and three times faster than a stand-alone line SOR (LSOR). Unlike stand-alone SOR and stand-alone LSOR, the cpu time needed by the preconditioned GMRES method for convergence weakly depends on the relaxation parameter when it is smaller than the optimal value. Results also show that with a 6-hour time step, the free drift velocity field is a better initial guess than the previous time step solution. For GMRES, the symmetry of the system matrix is not a prerequisite. The Coriolis term and the off-diagonal part of the water drag term can then be treated implicitly. The implicit treatment eliminates an instability characterized by a residual oscillation in the total kinetic energy of the ice pack that can be present when these off-diagonal terms are handled explicitly. Treating these terms explicitly prevents one from obtaining a high-accuracy solution of the sea-ice momentum equation unless a corrector step is applied. In fact, even after a large number of OL iterations, errors in the drift of the same magnitude as the drift itself can be present when these terms are treated explicitly. C1 [Lemieux, Jean-Francois; Tremblay, Bruno; Sedlacek, Jan; Mysak, Lawrence A.] McGill Univ, Dept Atmospher & Ocean Sci, Montreal, PQ H3A 2K6, Canada. [Thomas, Stephen] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Lemieux, JF (reprint author), McGill Univ, Dept Atmospher & Ocean Sci, 805 Sherbrooke St W, Montreal, PQ H3A 2K6, Canada. EM lemieux@zephyr.meteo.mcgill.ca RI Sedlacek, Jan/B-2819-2009 OI Sedlacek, Jan/0000-0002-6742-9130 FU NSERC; FQRNT; McGill University J. W. McConnell foundation; National Science Foundation Office of Polar Program [OPP-0230325]; Arctic Science Program [ARC-0520496]; Canadian CLIVAR Research Network; US Department of Energy FX We would like to thank Paul Tupper from the Department of Mathematics and Statistics at McGill and David Straub from the Department of Atmospheric and Oceanic Sciences at McGill for interesting discussions and for their help in the treatment of boundary conditions. Jean-Franc, ois Lemieux would like to thank NSERC, FQRNT and the McGill University J. W. McConnell foundation for fellowships received during the course of this project. Bruno Tremblay was supported by a NSERC Discovery grant and by the National Science Foundation Office of Polar Program (OPP-0230325) and Arctic Science Program (ARC-0520496). This work was also supported by an NSERC Discovery grant and NSERC/CFCAS-funded Canadian CLIVAR Research Network grant awarded to Lawrence A. Mysak. Stephen Thomas was supported by the US Department of Energy. NR 27 TC 12 Z9 12 U1 0 U2 2 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-OCEANS JI J. Geophys. Res.-Oceans PD OCT 9 PY 2008 VL 113 IS C10 AR C10004 DI 10.1029/2007JC004680 PG 12 WC Oceanography SC Oceanography GA 359MG UT WOS:000259990400001 ER PT J AU Puerta, L Franco, HJ Murgich, J Gonzalez, C Simon-Manso, Y Mujica, V AF Puerta, Luis Franco, Hector J. Murgich, Juan Gonzalez, Carlos Simon-Manso, Yamil Mujica, Vladimiro TI Dipole orientation and surface cluster size effects on chemisorption-induced magnetism: A DFT study of the interaction of gold-thiopolypeptide SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID SELF-ASSEMBLED MONOLAYERS; DENSITY-FUNCTIONAL THEORY; ORGANIZED ORGANIC LAYERS; MOLECULES; ADSORPTION; COMPLEXES; BINDING; SULFUR; THIOLS AB A nanosystem formed by a high electric dipole moment thiopolypeptide alpha-helix, consisting of eight L-glycine units, chemisorbed on the (111) surface of Au-23 and Au-55 clusters, with the S as the linking atom, was studied using the wave function broken symmetry UDFT method. We have found a strong correlation between the orientation of the electric dipole of the alpha-helix and charge transfer and the magnetic behavior of the adsorbate-cluster system. Upon chemisorption, dipole moments may be quenched or enhanced, with respect to the gas phase value, with the strongest reduction corresponding to the magnetic state. A reduction of the alpha-helix's electric dipole with the net charge transfer from the Au surface was obtained for the more stable state. In this state description, it may happen that the calculated spin densities of the chemisorbed alpha-helix and its free radical form are similar. The magnetic properties are strongly dependent on the size of the Au cluster and on its electronic structure with respect to nuclei positions. In general, the localized spin density per atom increases and the magnetization of the extended system decreases with cluster size, a trend found experimentally for organic monolayers with a similar type of adsorbate we consider here. C1 [Puerta, Luis] Univ Carabobo, FACYT, Dept Quim, Valencia, Edo Carabobo, Venezuela. [Franco, Hector J.; Mujica, Vladimiro] Cent Univ Venezuela, Escuela Quim, Caracas 1041A, Venezuela. [Murgich, Juan] Inst Venezolano Invest Cient, Ctr Quim, Caracas 1020A, Venezuela. [Gonzalez, Carlos; Simon-Manso, Yamil] NIST, Phys & Chem Properties Div, Gaithersburg, MD 20899 USA. [Mujica, Vladimiro] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Mujica, Vladimiro] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Puerta, L (reprint author), Univ Carabobo, FACYT, Dept Quim, Apartado 2005, Valencia, Edo Carabobo, Venezuela. EM lpuerta@uc.edu.ve; vmujica@chem.northwestern.edu FU OPSU, Alma Mater Project, Venezuela FX This work has been supported partially by OPSU, Alma Mater Project, Venezuela. Also, the authors thank Dr. B. Gomez for supplying his Fortran77 code that allowed performing the (S)DOS calculations presented in this work. NR 40 TC 6 Z9 6 U1 0 U2 3 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 OCT 9 PY 2008 VL 112 IS 40 BP 9771 EP 9783 DI 10.1021/jp710748h PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 356EA UT WOS:000259760300021 PM 18788718 ER PT J AU Epifanovsky, E Kowalski, K Fan, PD Valiev, M Matsika, S Krylov, AI AF Epifanovsky, Evgeny Kowalski, Karol Fan, Peng-Dong Valiev, Marat Matsika, Spiridoula Krylov, Anna I. TI On the electronically excited states of uracil SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID COUPLED-CLUSTER METHODS; NUCLEIC-ACID BASES; FULL CONFIGURATION-INTERACTION; TRIPLE EXCITATION CORRECTIONS; SINGLE-REFERENCE FORMALISM; MOLECULAR-ORBITAL METHODS; GAUSSIAN-BASIS SETS; CONICAL INTERSECTIONS; PYRIMIDINE-BASES; WATER COMPLEXES AB Vertical excitation energies in uracil in the gas phase and in water solution are investigated by the equation-of-motion coupled-cluster and multireference configuration interaction methods. Basis set effects are found to be important for converged results. The analysis of electronic wave functions reveals that the lowest singlet states are predominantly of a singly excited character and are therefore well described by single-reference equation-of-motion methods augmented by a perturbative triples correction to account for dynamical cot-relation. Our best estimates for the vertical excitation energies for the lowest singlet n -> pi* and pi -> pi* are 5.0 +/- 0.1 eV and 5.3 +/- 0.1 eV, respectively. The solvent effects for these states are estimated to be +0.5 eV and +/- 0.1 eV, respectively. We attribute the difference between the computed vertical excitations and the maximum of the experimental absorption to strong vibronic interaction between the lowest A '' and A' states leading to intensity borrowing by the forbidden transition. C1 [Kowalski, Karol; Fan, Peng-Dong; Valiev, Marat] Pacific NW Natl Lab, Richland, WA 99352 USA. [Epifanovsky, Evgeny; Krylov, Anna I.] Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA. [Matsika, Spiridoula] Temple Univ, Dept Chem, Philadelphia, PA 19122 USA. RP Kowalski, K (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM karol.kowalski@pnl.gov; smatiska@temple.edu; krylov@usc.edu FU National Science Foundation [CRIF:CRF CHE-0625419 + 0624602 + 0625237, CHE-0616271, CHE-0449853]; Pacific Northwest National Laboratory; Office of Naval Research [NOOO1406IP200027] FX This work was conducted under the auspices of the iOpenShell Center for Computational Studies of Electronic Structure and Spectroscopy of Open-Shell and Electronically Excited Species (http://iopenshell.usc.edu/) supported by the National Science Foundation through the CRIF:CRF CHE-0625419 + 0624602 + 0625237 grant. A.I.K. and S.M. also gratefully acknowledge the support of the National Science Foundation through grants CHE-0616271 and CHE-0449853, respectively. K.K. was supported by the Laboratory Directed Research and Development Program of the Pacific Northwest National Laboratory. M.V. would like to acknowledge support from the Office of Naval Research (NOOO1406IP200027). NR 96 TC 79 Z9 79 U1 0 U2 30 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 OCT 9 PY 2008 VL 112 IS 40 BP 9983 EP 9992 DI 10.1021/jp803758q PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 356EA UT WOS:000259760300044 PM 18771247 ER PT J AU Murdachaew, G de Gironcoli, S Scoles, G AF Murdachaew, Garold de Gironcoli, Stefano Scoles, Giacinto TI Toward an accurate and efficient theory of physisorption. I. Development of an augmented density-functional theory model SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID VAN-DER-WAALS; POTENTIAL-ENERGY CURVES; CONSISTENT BASIS-SETS; GENERALIZED GRADIENT APPROXIMATION; CORRELATED MOLECULAR CALCULATIONS; AB-INITIO CALCULATION; CONVERGENT BASIS-SETS; GAUSSIAN-BASIS SETS; RARE-GAS ATOMS; DISPERSION COEFFICIENTS AB Currently available density functionals cannot describe the dispersion component of the interaction energy present in weakly bound complexes. Moreover, the exchange energy as obtained from the density-functional theory is often incorrect. Examples of problematic cases include clusters of van der Waals-bound rare-gas atoms and most hydrogen-bonded molecular systems. Thus, accurate ab initio methods to treat intermolecular forces should be used in such systems. These methods are, however, too slow to be applicable to the large systems needed to model adsorption. This is why DFT continues to be used, where, in addition, a quite common compensation of errors sometimes produces some sort of agreement with the corresponding experimental data. In this paper, we analyze in detail the inadequacy of standard DFT for describing the weak binding present in a few rare gas-rare gas, metal atom-rare gas, and metal atom-metal atom dimers. Inspired by the success of the Hartree-Fock plus (damped) dispersion (HFD) method, we test the use of an improved hybrid model in which to a density-functional interaction energy (with corrected exchange and avoidance of double-counting of dispersion), a (damped) dispersion expansion is added in the usual way. Comparisons with accurate theoretical or experimental benchmarks show that our DFdD method using the revPBEx or revPBEx+VWNc functionals and accurate dispersion coefficients is found to recover the interaction energy curves very well for many of the tested systems. The second paper in this series will describe the use of the DFdD method for physisorption for the previously well-studied (but not solved) case of Xe/Cu(111). C1 [Murdachaew, Garold; de Gironcoli, Stefano] Sch Adv Int Studies, SISSA, I-34014 Trieste, Italy. [de Gironcoli, Stefano] DEMOCRITOS Natl Simulat Ctr, CNR, INFM, Trieste, Italy. [Scoles, Giacinto] CNR INFM DEMOCRITOS, SISSA ISAS, Princeton, NJ 08544 USA. [Scoles, Giacinto] Princeton Univ, Dept Chem, Princeton, NJ 08544 USA. RP Murdachaew, G (reprint author), Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. EM garold.murdachaew@pnl.gov; degironc@sissa.it; gscoles@princeton.edu RI de Gironcoli, Stefano/G-7236-2011; OI de Gironcoli, Stefano/0000-0002-2307-0998; Murdachaew, Garold/0000-0001-6958-6765 NR 84 TC 22 Z9 22 U1 0 U2 4 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 OCT 9 PY 2008 VL 112 IS 40 BP 9993 EP 10005 DI 10.1021/jp800974k PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 356EA UT WOS:000259760300045 PM 18771248 ER PT J AU Starovoitova, V Wyllie, GRA Scheidt, WR Sturhahn, W Alp, EE Durbin, SM AF Starovoitova, Valeriia Wyllie, Graerne R. A. Scheidt, W. Robert Sturhahn, Wolfgang Alp, E. Ercan Durbin, Stephen M. TI Intermolecular dynamics in crystalline iron octaethylporphyrin (FeOEP) SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID NUCLEAR INELASTIC-SCATTERING; RESONANCE VIBRATIONAL SPECTROSCOPY; MOLECULAR-CRYSTALS; COMPLETE SET; NORMAL-MODES; SPECTRA; PROTEINS; STATES AB The new technique of nuclear resonance vibrational spectroscopy (NRVS) has increased the range and quality of dynamical data from Fe-containing molecules that when combined with Raman and infrared spectroscopies impose stricter constraints on normal mode simulations, especially at lower frequencies. Going beyond the usual single molecule approximation, a classical normal-mode analysis that includes intermolecular coupling and the full crystalline symmetry is found to produce a better fit with fewer free parameters for the heme compound iron octaethylporphyrin (FeOEP), using NRVS data from polycrystalline material. Off-diagonal force constants were completely unnecessary, indicating that their role in previous single molecule fits was just to emulate intermolecular coupling. Sound velocities deduced from the calculated phonon dispersion curves are compared to NRVS measurements to further constrain the intermolecular force constants. The NRVS data by themselves are insufficient to rigorously determine all unknown force constants for molecules of this size, but the improved crystal model fit indicates the necessity of including intermolecular interactions for normal-mode analyses. C1 [Starovoitova, Valeriia; Durbin, Stephen M.] Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. [Wyllie, Graerne R. A.; Scheidt, W. Robert] Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA. [Sturhahn, Wolfgang; Alp, E. Ercan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Durbin, SM (reprint author), Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. FU National Science Foundation [PHY-9988763]; National Institutes of Health [GM-38401]; Purdue Research Foundation; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH1 1357] FX We thank Jianguang Guo for help with the computer program, and E. W. Prohofsky for wide-ranging advice. This work was supported by the National Science Foundation through the Award no. PHY-9988763, by the National Institutes of Health Grant GM-38401, and by the Purdue Research Foundation. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH1 1357. NR 33 TC 5 Z9 5 U1 0 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 OCT 9 PY 2008 VL 112 IS 40 BP 12656 EP 12661 DI 10.1021/jp806215r PG 6 WC Chemistry, Physical SC Chemistry GA 356LR UT WOS:000259780200014 PM 18793016 ER PT J AU Zorn, D Lin, VSY Pruski, M Gordon, MS AF Zorn, Deborah Lin, Victor S. -Y. Pruski, Marek Gordon, Mark S. TI An interface between the universal force field and the effective fragment potential method SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID MOLECULAR-ORBITAL METHODS; NUCLEAR-CHARGE MODEL; FUNCTIONALIZED MESOPOROUS SILICA; GAUSSIAN-BASIS SETS; SOLID-STATE NMR; CONFORMATIONAL ENERGIES; DYNAMICS SIMULATIONS; POLYATOMIC-MOLECULES; ORGANIC-MOLECULES; CONSTANTS AB In order to properly describe reactions in heterogeneous catalyst systems, the reactants, solvent, and bulk effects of the surface must be taken into account. Embedded-cluster QM (quantum mechanics)/MM (molecular mechanics) methods can treat reactions on surfaces (the gas-surface interface), and the effective fragment potential method (EFP) can accurately treat the solvent effects on reactions (the gas-liquid interface). In order to create a QM/MM/EFP hybrid method for treatment of heterogeneous catalytic systems in the presence of a solvent (the liquid-surface interface), an EFP-MM interaction potential has been developed. Example calculations on small clusters of silica and water have been carried out. C1 [Gordon, Mark S.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Gordon, MS (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. FU U.S. Department of Energy, administered FX Acknowledgment. This work has been supported by a grant from the U.S. Department of Energy, administered by the Ames Laboratory. The authors also acknowledge Professor Jan Jensen and Drs. Mike Schmidt and Lyuda Slipchenko for many helpful discussions. NR 61 TC 3 Z9 3 U1 1 U2 7 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 OCT 9 PY 2008 VL 112 IS 40 BP 12753 EP 12760 DI 10.1021/jp8049729 PG 8 WC Chemistry, Physical SC Chemistry GA 356LR UT WOS:000259780200028 PM 18795767 ER PT J AU Payne, CM Zhao, XC Cummings, PT AF Payne, Christina M. Zhao, Xiongce Cummings, Peter T. TI Electrophoresis of ssDNA through nanoelectrode gaps from molecular dynamics: Impact of gap width and chain length SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID EMPIRICAL FORCE-FIELD; SOLID-STATE NANOPORE; DNA TRANSLOCATION; CARBON NANOTUBES; NUCLEIC-ACIDS; SIMULATIONS; TRANSPORT; IMMOBILIZATION; MICROCHANNEL; INTERFACE AB Molecular dynamics simulations were performed to study the translocation of single-stranded (ss) DNA through the nanoscale gap between the nanoscale electrodes of a proposed genomic sequencing device. An applied electric field forces the ssDNA to move in the direction of the nanoscale gap in platinum electrodes. A series of simulations utilizing eight different nanoscale gap distances as well as seven different nucleotide chain lengths were performed to determine the impact of these variables on the overall design of the sequencing device and the translocation behavior of ssDNA. The results clearly indicate a threshold value of the gap width below which the ssDNA will readily enter and traverse the nanoscale gap. Translocation velocities obtained for various chain lengths were consistent with simulated bulk data; however, successful translocation was inconsistent, possibly related to the sample's affinity for the metal electrodes. An attempt at overcoming this barrier was made through the implementation of shaped electrodes as well as prethreading of the ssDNA sample. C1 [Payne, Christina M.; Cummings, Peter T.] Vanderbilt Univ, Dept Chem Engn, Nashville, TN 37235 USA. [Zhao, Xiongce; Cummings, Peter T.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Cummings, PT (reprint author), Vanderbilt Univ, Dept Chem Engn, Nashville, TN 37235 USA. EM peter.cummings@vanderbilt.edu RI Payne, Christina/C-7338-2011; Cummings, Peter/B-8762-2013 OI Payne, Christina/0000-0001-5264-0964; Cummings, Peter/0000-0002-9766-2216 FU NIH [IR21HGO03578-01]; DOE CSGF [DE-FG02-97ER25308] FX These simulations were performed using the ACCRE computational facilities at Vanderbilt University. Financial support from the NIH (IR21HGO03578-01) and DOE CSGF fellowship support (DE-FG02-97ER25308) is gratefully acknowledged. We thank James W. Lee of the Chemical Sciences Division of Oak Ridge National Laboratory for introducing us to the proposed narroscale sequencing device and for helpful discussions. NR 47 TC 1 Z9 1 U1 1 U2 9 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 OCT 9 PY 2008 VL 112 IS 40 BP 12851 EP 12858 DI 10.1021/jp802258v PG 8 WC Chemistry, Physical SC Chemistry GA 356LR UT WOS:000259780200040 PM 18783267 ER PT J AU Huang, L Lu, N Yan, JA Chou, MY Wang, CZ Ho, KM AF Huang, Li Lu, Ning Yan, Jia-An Chou, M. Y. Wang, Cai-Zhuang Ho, Kai-Ming TI Size- and strain-dependent electronic structures in H-passivated Si [112] nanowires SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID FIELD-EFFECT TRANSISTORS; SILICON NANOWIRES; PSEUDOPOTENTIALS; NANOSENSORS; TRANSITION AB Using first-principles calculations within density functional theory, we have investigated the electronic properties of H-passivated Si nanowires (SiNWs) oriented along the 112 direction, with the atomic geometries retrieved via global search using genetic algorithm. We show that [112] SiNWs have an indirect band gap in the ultrathin diameter regime, whereas the energy difference between the direct and indirect fundamental band gaps progressively decreases as the wire size increases, indicating that larger [112] SiNWs could have a quasi-direct band gap. We further show that this quasi-direct gap feature can be enhanced when applying uniaxial compressive stress along the wire axis. Moreover, our calculated results also reveal that the electronic band structure is sensitive to the change of the aspect ratio of the cross sections. C1 [Huang, Li; Lu, Ning; Wang, Cai-Zhuang; Ho, Kai-Ming] US DOE, Ames Lab, Ames, IA 50011 USA. [Huang, Li; Yan, Jia-An; Chou, M. Y.] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA. [Lu, Ning; Wang, Cai-Zhuang; Ho, Kai-Ming] Iowa State Univ, Dept Phys, Ames, IA 50011 USA. RP Huang, L (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. RI Yan, Jia-An/F-8282-2010; lu, ning/H-1993-2011; Chou, Mei-Yin/D-3898-2012 OI Yan, Jia-An/0000-0002-3959-4091; FU U.S. Department of Energy by Iowa State University [DE-AC02-07CH11358]; National Science Foundation [DMR-02-05328]; Department of Energy [DE-FG02-97ER45632, DE-AC03-76SF00098]; National Energy Research Supercomputing Center (NERSC); San Diego Supercomputer Center (SDSC) FX Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. This work was also supported by the National Science Foundation (Grant No. DMR-02-05328) and the Department of Energy (Grant No. DE-FG02-97ER45632 and Computational Materials Science Network). The computation used resources of the National Energy Research Supercomputing Center (NERSC), which is supported by the Department of Energy (Grant No. DE-AC03-76SF00098), and the San Diego Supercomputer Center (SDSC). NR 30 TC 19 Z9 19 U1 1 U2 17 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 OCT 9 PY 2008 VL 112 IS 40 BP 15680 EP 15683 DI 10.1021/jp802591v PG 4 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 356DY UT WOS:000259760100012 ER PT J AU Dohnalek, Z Kim, J Kay, BD AF Dohnalek, Zdenek Kim, Jooho Kay, Bruce D. TI Understanding how surface morphology and hydrogen dissolution influence ethylene hydrogenation on palladium SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID THERMAL-DECOMPOSITION; BALLISTIC DEPOSITION; SUBSURFACE HYDROGEN; SINGLE-CRYSTALS; MOLECULAR-BEAMS; METAL-SURFACES; EELS ANALYSIS; PD(111); ADSORPTION; CHEMISORPTION AB We prepared model supported nanoporous Pd catalysts grown via ballistic deposition with an unprecedented catalytic activity for ethylene hydrogenation. Extremely high conversion of ethylene to ethane (50%) exceeding that observed in prior studies by over an order-of-magnitude was achieved. Model Pd(111)/Pt(111) and Pd-decorated Pd(111)/Pt(111) and FeO(111)/Pt(111) thin film catalysts were employed to examine how the reactivity evolves with creation of catalytically active Pd sites. The origin of enhanced reactivity is shown to be due to the presence of highly reactive Pd sites and the absence of surface hydrogen depletion due to dissolution into the bulk. Collectively these studies present an enhanced and unified understanding of the catalytic behavior of various Pd samples employed in prior studies. C1 [Dohnalek, Zdenek] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. RP Dohnalek, Z (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, POB 999,Mail Stop K8-88, Richland, WA 99352 USA. EM zdenek.dohnalek@pnl.gov; bruce.kay@pnl.gov OI Dohnalek, Zdenek/0000-0002-5999-7867 FU U.S. DOE [AC06-76RLO 1830] FX We thank James S. Young for acquiring the SEM data. This work was supported by the U.S. Department of Energy Office of Basic Energy Sciences, Chemical Sciences Division and was performed at the W. R. Wiley Environmental Molecular Science Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at Pacific Northwest National Laboratory. PNNL is operated for the U.S. DOE by Battelle under Contract No. DE-AC06-76RLO 1830. NR 36 TC 6 Z9 6 U1 2 U2 13 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 OCT 9 PY 2008 VL 112 IS 40 BP 15796 EP 15801 DI 10.1021/jp803880x PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 356DY UT WOS:000259760100029 ER PT J AU Szymanski, P Harris, AL Camillone, N AF Szymanski, P. Harris, A. L. Camillone, N., III TI Efficient subpicosecond photoinduced surface chemistry: The ultrafast photooxidation of CO on palladium SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID SUM-FREQUENCY GENERATION; METAL-SURFACES; CATALYTIC-OXIDATION; CARBON-MONOXIDE; ORDERED STRUCTURES; LASER-DESORPTION; PD(111) SURFACE; FEMTOSECOND; PT(111); OXYGEN AB Ultrafast near-infrared photoexcitation of mixed adlayers of carbon monoxide and atomic oxygen on the Pd(111) surface results in the efficient associative desorption of carbon dioxide. The oxidized fraction of the desorbed molecules ranges from similar to 15% to 40%, approximately an order of magnitude greater than observed from Ru(001) under similar conditions. Time-resolved correlation measurements reveal fast dynamics that indicate the photochemistry is mediated by substrate electrons. The dynamics are strongly dependent on the initial CO coverage in a manner consistent with an activation energy for oxidation that depends on the initial CO binding site. These results, in addition to comparison of the ultrafast photooxidation to thermal oxidation, are consistent with the photooxidation occurring rapidly (within one to several picoseconds) from an initial mixed CO+O adlayer structure without time for diffusional phase segregation. The observed efficient ultrafast photoexcitation of associative desorption of CO2 from Pd(111) thus provides the opportunity to follow the picosecond dynamics of the bimolecular surface chemical reaction of CO+O from a well-defined initial geometry. C1 [Szymanski, P.; Harris, A. L.; Camillone, N., III] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Camillone, N (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM nicholas@bnl.gov FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences [DE-AC0298CH 10886] FX We thank M. G. White and SUNY Stony Brook for the extended loan of the Ti:S amplifier used In these experiments. We also thank Ping Liu and Yixiong Yang for useful discussions. This research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, under Contract No. DE-AC0298CH 10886. NR 58 TC 9 Z9 9 U1 1 U2 17 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 OCT 9 PY 2008 VL 112 IS 40 BP 15802 EP 15808 DI 10.1021/jp8044737 PG 7 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 356DY UT WOS:000259760100030 ER PT J AU Gozar, A Logvenov, G Kourkoutis, LF Bollinger, AT Giannuzzi, LA Muller, DA Bozovic, I AF Gozar, A. Logvenov, G. Kourkoutis, L. Fitting Bollinger, A. T. Giannuzzi, L. A. Muller, D. A. Bozovic, I. TI High-temperature interface superconductivity between metallic and insulating copper oxides SO NATURE LA English DT Article ID CRITICAL CURRENT-DENSITY; 2-DIMENSIONAL SYSTEMS; FILMS; STRAIN AB The realization of high- transition- temperature ( high- T-c) superconductivity confined to nanometre- sized interfaces has been a long- standing goal because of potential applications(1,2) and the opportunity to study quantum phenomena in reduced dimensions(3,4). This has been, however, a challenging target: in conventional metals, the high electron density restricts interface effects ( such as carrier depletion or accumulation) to a region much narrower than the coherence length, which is the scale necessary for superconductivity to occur. By contrast, in copper oxides the carrier density is low whereas T-c is high and the coherence length very short, which provides an opportunity - but at a price: the interface must be atomically perfect. Here we report superconductivity in bilayers consisting of an insulator ( La2CuO4) and a metal ( La1.55Sr0.45CuO4), neither of which is superconducting in isolation. In these bilayers, T-c is either similar to 15 K or similar to 30 K, depending on the layering sequence. This highly robust phenomenon is confined within 2 - 3nm of the interface. If such a bilayer is exposed to ozone, T-c exceeds 50 K, and this enhanced superconductivity is also shown to originate from an interface layer about 1 - 2 unit cells thick. Enhancement of T-c in bilayer systems was observed previously(5) but the essential role of the interface was not recognized at the time. C1 [Gozar, A.; Logvenov, G.; Bollinger, A. T.; Bozovic, I.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Kourkoutis, L. Fitting; Muller, D. A.] Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY 14853 USA. [Giannuzzi, L. A.] FEI Co, Hillsboro, OR 97124 USA. RP Bozovic, I (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM bozovic@bnl.gov RI Muller, David/A-7745-2010; OI Muller, David/0000-0003-4129-0473; Kourkoutis, Lena/0000-0002-1303-1362 FU US DOE; ONR EMMA MURI; Cornell Center for Materials Research; Applied Materials FX The work at BNL was supported by US DOE. L. F. K. and D. A. M. acknowledge support under the ONR EMMA MURI and by the Cornell Center for Materials Research. L. F. K. acknowledges financial support by Applied Materials. NR 27 TC 206 Z9 208 U1 18 U2 163 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD OCT 9 PY 2008 VL 455 IS 7214 BP 782 EP 785 DI 10.1038/nature07293 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 357OB UT WOS:000259854900043 PM 18843365 ER PT J AU Feng, Y Jian, Z AF Feng Yuan Jian Zhou TI Single spin asymmetries in heavy quark and antiquark productions SO PHYSICS LETTERS B LA English DT Article ID DEEP-INELASTIC SCATTERING; FINAL-STATE INTERACTIONS; HADRONIC PION-PRODUCTION; CHIRAL-ODD CONTRIBUTION; PARTON DISTRIBUTIONS; DRELL-YAN; NUCLEON; GAUGE AB The single transverse spin asymmetries in heavy quark and antiquark production from the quark-antiquark annihilation channel contribution is studied by taking into account the initial and final state interactions effects. Because of the different color charges, the final state interaction effects lead to about a factor of 3 difference in the spin asymmetry for heavy quark over that for the antiquark in the valence region of low energy pp collisions. The experimental study of this model-independent prediction shall provide a crucial test for the underlying mechanism for the single spin asymmetry phenomena. (c) 2008 Elsevier B.V. All rights reserved. C1 [Feng Yuan; Jian Zhou] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Feng Yuan] Brookhaven Natl Lab, RIKEN, BNL Res Ctr, Upton, NY 11973 USA. [Jian Zhou] Shandong Univ, Dept Phys, Shandong 250100, Peoples R China. RP Feng, Y (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. EM fyuan@lbl.gov; jzhou@lbl.gov FU US Department of Energy [DE-AC02-05CH11231]; RIKEN, Brookhaven National Laboratory and the US Department of Energy [DE-AC02-98CH10886]; China Scholarship Council and National Natural Science Foundation of China [10525523] FX We thank Zhongbo Kang and Jianwei Qiu for their correspondences. This work was supported in part by the US Department of Energy under contract DE-AC02-05CH11231. We are grateful to RIKEN, Brookhaven National Laboratory and the US Department of Energy (contract number DE-AC02-98CH10886) for providing the facilities essential for the completion of this work. J.Z. is partially supported by China Scholarship Council and National Natural Science Foundation of China under Project No. 10525523. NR 30 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD OCT 9 PY 2008 VL 668 IS 3 BP 216 EP 220 DI 10.1016/j.physletb.2008.08.045 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 369TH UT WOS:000260716300010 ER PT J AU Ispolatov, I Maslov, S AF Ispolatov, Iaroslav Maslov, Sergei TI Detection of the dominant direction of information flow and feedback links in densely interconnected regulatory networks SO BMC BIOINFORMATICS LA English DT Article ID GRAPHS AB Background: Finding the dominant direction of flow of information in densely interconnected regulatory or signaling networks is required in many applications in computational biology and neuroscience. This is achieved by first identifying and removing links which close up feedback loops in the original network and hierarchically arranging nodes in the remaining network. In mathematical language this corresponds to a problem of making a graph acyclic by removing as few links as possible and thus altering the original graph in the least possible way. The exact solution of this problem requires enumeration of all cycles and combinations of removed links, which, as an NP-hard problem, is computationally prohibitive even for modest-size networks. Results: We introduce and compare two approximate numerical algorithms for solving this problem: the probabilistic one based on a simulated annealing of the hierarchical layout of the network which minimizes the number of "backward" links going from lower to higher hierarchical levels, and the deterministic, "greedy" algorithm that sequentially cuts the links that participate in the largest number of feedback cycles. We find that the annealing algorithm outperforms the deterministic one in terms of speed, memory requirement, and the actual number of removed links. To further improve a visual perception of the layout produced by the annealing algorithm, we perform an additional minimization of the length of hierarchical links while keeping the number of anti-hierarchical links at their minimum. The annealing algorithm is then tested on several examples of regulatory and signaling networks/pathways operating in human cells. Conclusion: The proposed annealing algorithm is powerful enough to performs often optimal layouts of protein networks in whole organisms, consisting of around similar to 10(4) nodes and similar to 10(5) links, while the applicability of the greedy algorithm is limited to individual pathways with similar to 100 vertices. The considered examples indicate that the annealing algorithm produce biologically meaningful layouts: The function of the most of the anti-hierarchical links is indeed to send a feedback signal to the upstream pathway elements. Source codes of F90 and Matlab implementation of the two algorithms are available at http://www.cmth.bnl.gov/similar to maslov/programs.htm C1 [Ispolatov, Iaroslav] Ariadne Inc, Rockville, MD 20850 USA. [Ispolatov, Iaroslav] Univ Santiago Chile, Dept Fis, Santiago, Chile. [Maslov, Sergei] Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. RP Ispolatov, I (reprint author), Ariadne Inc, 9430 Key W Ave,Suite 113, Rockville, MD 20850 USA. EM slava@ariadnegenomics.com; maslov@bnl.gov RI Ispolatov, Yaroslav/E-8544-2010; Maslov, Sergei/C-2397-2009 OI Ispolatov, Yaroslav/0000-0002-0201-3396; Maslov, Sergei/0000-0002-3701-492X FU NIGMS [1 R01 GM068954-01]; Division of Material Science, U.S. Department of Energy [DE-AC02-98CH10886]; BNL FX This work was supported by 1 R01 GM068954-01 grant from the NIGMS. Work at Brookhaven National Laboratory was carried out under Contract No. DE-AC02-98CH10886, Division of Material Science, U.S. Department of Energy. II thanks Theory Institute for Strongly Correlated and Complex Systems at BNL for financial support during his visits. NR 9 TC 8 Z9 8 U1 1 U2 4 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2105 J9 BMC BIOINFORMATICS JI BMC Bioinformatics PD OCT 8 PY 2008 VL 9 AR 424 DI 10.1186/1471-2105-9-424 PG 9 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Mathematical & Computational Biology GA 372GN UT WOS:000260890200002 PM 18842147 ER PT J AU Lee, KK Gan, L Tsuruta, H Moyer, C Conway, JF Duda, RL Hendrix, RW Steven, AC Johnson, JE AF Lee, Kelly K. Gan, Lu Tsuruta, Hiro Moyer, Crystal Conway, James F. Duda, Robert L. Hendrix, Roger W. Steven, Alasdair C. Johnson, John E. TI Virus Capsid Expansion Driven by the Capture of Mobile Surface Loops SO STRUCTURE LA English DT Article ID X-RAY CRYSTALLOGRAPHY; STRUCTURAL TRANSITIONS; CRYOELECTRON MICROSCOPY; CONFORMATIONAL-CHANGES; BACTERIOPHAGE HK97; COMMON ANCESTRY; NMR SYSTEM; CRYO-EM; MATURATION; PROTEIN AB The capsids of tailed-DNA bacteriophages first assemble as procapsids, which mature by converting into a new form that is strong enough to contain a densely packed viral chromosome. We demonstrate that the intersubunit crosslinking that occurs during maturation of HK97 capsids actually promotes the structural transformation. Small-angle X-ray scattering and crosslinking assays reveal that a shift in the crosslink pattern accompanies conversion of a semimature particle, Expansion Intermediate-I/II, to a more mature state, Balloon. This transition occurs in a switch-like fashion. We find that crosslink formation shifts the global conformational balance to favor the balloon state. A pseudoatomic model of EI-I/II derived from cryo-EM provides insight into the relationship between crosslink formation and conformational switching. C1 [Lee, Kelly K.; Gan, Lu; Johnson, John E.] Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA. [Tsuruta, Hiro] Stanford Univ, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. [Moyer, Crystal; Duda, Robert L.; Hendrix, Roger W.] Univ Pittsburgh, Dept Biol Sci, Pittsburgh, PA 15260 USA. [Conway, James F.] Univ Pittsburgh, Sch Med, Dept Biol Struct, Pittsburgh, PA 15260 USA. [Steven, Alasdair C.] NIAMSD, Struct Biol Res Lab, NIH, Bethesda, MD 20892 USA. RP Johnson, JE (reprint author), Scripps Res Inst, Dept Mol Biol, 10666 N Torrey Pines Rd, La Jolla, CA 92037 USA. EM jackj@scripps.edu RI Gan, Lu/F-8317-2011; Conway, James/A-2296-2010 OI Gan, Lu/0000-0002-8685-4896; Conway, James/0000-0002-6581-4748 FU National Institutes of Health [R01AI040101, R01GM047795, F32GM65013]; Intramural Research Program of NIAMS; DoE, Office of Biological and Environmental Research FX We thank Ilya Gertsman (TSRI) for providing the Prohead-II PDB coordinates used in our analysis. We thank Jeff Speir for his valuable computational assistance. This work was supported by National Institutes of Health funding R01AI040101 (J.E.J.), R01GM047795 (R.W.H.), F32GM65013 (K.K.L.), and supported in part (A.C.S.) by the Intramural Research Program of NIAMS. SAXS experiments were carried out at SSRL BL4-2, a national facility operated by Stanford University on behalf of the U.S. Dept. of Energy, Office of Basic Energy Sciences. The SSRL Structural Molecular Biology Program is supported by the DoE, Office of Biological and Environmental Research, and by the NIH, National Center for Research Resources, Biomedical Technology Program. The content is solely the responsibility of the authors and does not necessarily reflect the official views of NCRR or NIH. NR 41 TC 24 Z9 26 U1 0 U2 1 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0969-2126 J9 STRUCTURE JI Structure PD OCT 8 PY 2008 VL 16 IS 10 BP 1491 EP 1502 DI 10.1016/j.str.2008.06.014 PG 12 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 358PU UT WOS:000259930800008 PM 18940605 ER PT J AU Kagiampakis, I Jin, H Kim, S Vannucci, M LiWang, PJ Tsai, J AF Kagiampakis, Ioannis Jin, Hongjun Kim, Sinae Vannucci, Marina LiWang, Patricia J. Tsai, Jerry TI Conservation of unfavorable sequence motifs that contribute to the chemokine quaternary state SO BIOCHEMISTRY LA English DT Article ID MONOCYTE CHEMOATTRACTANT PROTEIN-1; BAYESIAN VARIABLE SELECTION; NMR CHEMICAL-SHIFTS; BETA-SHEET PROTEINS; SECONDARY STRUCTURE; RECEPTOR-BINDING; GLYCOSAMINOGLYCAN BINDING; MONOMERIC INTERLEUKIN-8; 3-DIMENSIONAL STRUCTURE; NEUTROPHIL ACTIVATION AB In the chemokine family, we characterize two examples of evolutionarily conserved unfavorable sequence motifs that affect quaternary structure. In contrast to the straightforward action of favorable sequences, these unfavorable motifs produce interactions disfavoring one outcome to indirectly promote another one but should not be confused with the broad sampling produced by negative selection and/or design. To identify such motifs, we developed a statistically validated computational method combining structure and phylogeny. This approach was applied in an analysis of the alternate forms of homodimerization exhibited in the chemokine family. While the chemokine family exhibits the same tertiary fold, members of certain subfamilies, including CXCL8, form a homodimer across the beta 1 strand whereas members of other subfamilies, including CCL4 and CCL2, form a homodimer on the opposite side of the chemokine fold. These alternate dimerization states suggest that CCL4 and CCL2 contain specific sequences that disfavor CXCL8 dimerization. Using our computational approach, we identified two evolutionarily conserved sequence motifs in the CC subfamilies: a drastic two-residue deletion (Delta RV) and a simple point mutation (V27R). Cloned into the CXCL8 background, these two motifs were experimentally proven to confer a monomeric state. NMR analyses indicate that these variants are structured in solution and retain the chemokine fold. Structurally, the motifs retain a chemokine tertiary fold while introducing unfavorable quaternary interactions that inhibit CXCL8 dimerization. In demonstrating the success of our computational method, our results argue that these unfavorable motifs have been evolutionarily conserved to specifically disfavor one dimerization state and, as a result, indirectly contribute to favoring another. C1 [Tsai, Jerry] Univ Pacific, Dept Chem, Stockton, CA 95211 USA. [Kagiampakis, Ioannis] Texas A&M Univ, Dept Biochem & Biophys, College Stn, TX 77843 USA. [Jin, Hongjun] US DOE, Dept Biochem & Cell Biol, Richland, WA 99352 USA. [Kim, Sinae] Univ Michigan, Dept Biostat, Ann Arbor, MI 48109 USA. [LiWang, Patricia J.] Univ Calif, Sch Nat Sci, Merced, CA 95344 USA. [Vannucci, Marina] Rice Univ, Dept Biostat, Houston, TX 77251 USA. RP Tsai, J (reprint author), Univ Pacific, Dept Chem, Stockton, CA 95211 USA. EM JTsai@pacific.edu RI Jin, Hongjun/B-4718-2011 FU NIH [RO1AI47832, RO1AI070993]; Welch Foundation [A1472]; NIH/NIGMS [R01GM81631, R01HG003319]; NSF/DMS [DMS-0605001] FX P.J.L., I.K., and H.J. were supported by NIH Grants RO1A147832 and RO1AI070993 and Welch Foundation Grant A1472. J.T. and M.V. are supported by NIH/NIGMS Grant R01GM81631. M.V. is supported by NIH/NHGRI Grant R01HG003319 and NSF/DMS Grant DMS-0605001. NR 71 TC 3 Z9 3 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD OCT 7 PY 2008 VL 47 IS 40 BP 10637 EP 10648 DI 10.1021/bi702288a PG 12 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 353XW UT WOS:000259603600013 PM 18781776 ER PT J AU Winger, JA Derbyshire, ER Lamers, MH Marletta, MA Kuriyan, J AF Winger, Jonathan A. Derbyshire, Emily R. Lamers, Meindert H. Marletta, Michael A. Kuriyan, John TI The crystal structure of the catalytic domain of a eukaryotic guanylate cyclase SO BMC STRUCTURAL BIOLOGY LA English DT Article ID III ADENYLYL CYCLASES; NITRIC-OXIDE SYNTHASE; MUTATIONAL ANALYSIS; HIV-1 INTEGRASE; HEME-BINDING; ACTIVE-SITE; OXYGEN; ACTIVATION; MECHANISM; DIMERIZATION AB Background: Soluble guanylate cyclases generate cyclic GMP when bound to nitric oxide, thereby linking nitric oxide levels to the control of processes such as vascular homeostasis and neurotransmission. The guanylate cyclase catalytic module, for which no structure has been determined at present, is a class III nucleotide cyclase domain that is also found in mammalian membrane-bound guanylate and adenylate cyclases. Results: We have determined the crystal structure of the catalytic domain of a soluble guanylate cyclase from the green algae Chlamydomonas reinhardtii at 2.55 angstrom resolution, and show that it is a dimeric molecule. Conclusion: Comparison of the structure of the guanylate cyclase domain with the known structures of adenylate cyclases confirms the close similarity in architecture between these two enzymes, as expected from their sequence similarity. The comparison also suggests that the crystallized guanylate cyclase is in an inactive conformation, and the structure provides indications as to how activation might occur. We demonstrate that the two active sites in the dimer exhibit positive cooperativity, with a Hill coefficient of similar to 1.5. Positive cooperativity has also been observed in the homodimeric mammalian membrane-bound guanylate cyclases. The structure described here provides a reliable model for functional analysis of mammalian guanylate cyclases, which are closely related in sequence. C1 [Winger, Jonathan A.; Derbyshire, Emily R.; Lamers, Meindert H.; Marletta, Michael A.; Kuriyan, John] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Marletta, Michael A.; Kuriyan, John] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Kuriyan, John] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Marletta, Michael A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Phys Biosci, Berkeley, CA 94720 USA. RP Kuriyan, J (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. EM wingerj@berkeley.edu; derbyem@berkeley.edu; mlamers@berkeley.edu; marletta@berkeley.edu; kuriyan@berkeley.edu RI Winger, Jonathan/B-3885-2010 OI Winger, Jonathan/0000-0003-1413-3384 FU NIGMS NIH HHS [GM077365, R01 GM077365] NR 67 TC 44 Z9 47 U1 1 U2 4 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2237 J9 BMC STRUCT BIOL JI BMC Struct. Biol. PD OCT 7 PY 2008 VL 8 AR 42 DI 10.1186/1472-6807-8-42 PG 11 WC Biophysics SC Biophysics GA 379PV UT WOS:000261409600001 PM 18842118 ER PT J AU Buth, C Santra, R AF Buth, Christian Santra, Robin TI Rotational molecular dynamics of laser-manipulated bromotrifluoromethane studied by x-ray absorption SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID ALIGNMENT; FIELDS; PULSES AB We present a computational study of the rotational molecular dynamics of bromotrifluoromethane (CF3Br) molecules in gas phase. The rotation is manipulated with an off-resonant 800 nm laser. The molecules are treated as rigid rotors. Frequently, we use a computationally efficient linear rotor model for CF3Br, which we compare with selected results for full symmetric-rotor computations. The expectation value < cos(2) theta >(t) is discussed. Especially, the transition from impulsive to adiabatic alignment, the temperature dependence of the maximally achievable alignment, and its intensity dependence are investigated. In a next step, we examine resonant x-ray absorption as an accurate tool to study laser manipulation of molecular rotation. Specifically, we investigate the impact of the x-ray pulse duration on the signal (particularly its temporal resolution) and study the temperature dependence of the achievable absorption. Most importantly, we demonstrated that using picosecond x-ray pulses, one can accurately measure the expectation value < cos(2) theta >(t) for impulsively aligned CF3Br molecules. We point out that a control of the rotational dynamics opens up a novel way to imprint shapes onto long x-ray pulses on a picosecond time scale. For our computations, we determine the dynamic polarizability tensor of CF3Br using ab initio molecular linear-response theory in conjunction with wave function models of increasing sophistication: Coupled-cluster singles (CCS), second-order approximate coupled-cluster singles and doubles (CC2), and coupled-cluster singles and doubles (CCSD). (C) 2008 American Institute of Physics. C1 [Buth, Christian; Santra, Robin] Argonne Natl Lab, Argonne, IL 60439 USA. [Santra, Robin] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. RP Buth, C (reprint author), Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. EM christian.buth@web.de RI Santra, Robin/E-8332-2014; Buth, Christian/A-2834-2017 OI Santra, Robin/0000-0002-1442-9815; Buth, Christian/0000-0002-5866-3443 FU Alexander von Humboldt Foundation; Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy [DE-AC02-06CH11357] FX We would like to thank Linda Young for fruitful discussions. The research of C. B. was partly funded by the Alexander von Humboldt Foundation. The work of C. B. and R. S. was supported by the Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy, under Contract No. DE-AC02-06CH11357. NR 52 TC 7 Z9 7 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 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD OCT 7 PY 2008 VL 129 IS 13 AR 134312 DI 10.1063/1.2987365 PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 357WA UT WOS:000259876700025 PM 19045095 ER PT J AU Deng, YQ Roux, B AF Deng, Yuqing Roux, Benoit TI Computation of binding free energy with molecular dynamics and grand canonical Monte Carlo simulations (vol 128, art no 115103, 2008) SO JOURNAL OF CHEMICAL PHYSICS LA English DT Correction C1 [Deng, Yuqing; Roux, Benoit] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Roux, Benoit] Univ Chicago, Dept Biochem & Mol Biol, Gordon Ctr Integrat Sci, Chicago, IL 60637 USA. RP Deng, YQ (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM roux@chicago.edu NR 1 TC 0 Z9 0 U1 2 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 OCT 7 PY 2008 VL 129 IS 13 AR 139901 DI 10.1063/1.2936211 PG 1 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 357WA UT WOS:000259876700057 ER PT J AU Park, S Lau, AY Roux, B AF Park, Sanghyun Lau, Albert Y. Roux, Benoit TI Computing conformational free energy by deactivated morphing SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID HISTOGRAM ANALYSIS METHOD; MOLECULAR-DYNAMICS; SIMULATIONS; EFFICIENT AB Despite the significant advances in free-energy computations for biomolecules, there exists no general method to evaluate the free-energy difference between two conformations of a macromolecule that differ significantly from each other. A crucial ingredient of such a method is the ability to find a path between different conformations that allows an efficient computation of the free energy. In this paper, we introduce a method called "deactivated morphing," in which one conformation is morphed into another after the internal interactions are completely turned off. An important feature of this method is the (shameless) use of nonphysical paths, which makes the method robustly applicable to conformational changes of arbitrary complexity. (C) 2008 American Institute of Physics. C1 [Park, Sanghyun] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Lau, Albert Y.; Roux, Benoit] Univ Chicago, Dept Biochem & Mol Biol, Chicago, IL 60637 USA. [Roux, Benoit] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Park, S (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM sanghyun@mcs.anl.gov FU U.S. Department of Energy [DE-AC02-06CH11357] FX S. P. thanks Vijay Pande for guidance during the early stages of the work and Chris Jarzynski for stimulating discussions on rotational entropy. This research was supported by the U.S. Department of Energy under Contract No. DE-AC02-06CH11357. NR 20 TC 16 Z9 16 U1 0 U2 9 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 OCT 7 PY 2008 VL 129 IS 13 AR 134102 DI 10.1063/1.2982170 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 357WA UT WOS:000259876700003 PM 19045073 ER PT J AU Yang, SY Yoon, MN Wang, E Zhang, ZY AF Yang, Shenyuan Yoon, Mina Wang, Enge Zhang, Zhenyu TI Energetics and kinetics of Ti clustering on neutral and charged C-60 surfaces SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID HYDROGEN STORAGE CAPACITY; WALLED CARBON NANOTUBES; AUGMENTED-WAVE METHOD; MINIMUM ENERGY PATHS; ELASTIC BAND METHOD; SADDLE-POINTS; NANOSTRUCTURES; IONS AB Using ab initio spin density functional theory, we investigate the energetics and kinetics of Ti clustering on both neutral and charged C-60 surfaces. We compare the formation energy of sparsely dispersed zero-dimensional (0D), compact single-layered two-dimensional (2D), and clustered three-dimensional (3D) Ti-N configurations as a function of cluster size (N <= 12) and further study the transformation kinetics between them. We find that 0D configuration is always less stable than that of 2D and 3D configurations and 0D to 2D transformation involves in a single Ti diffusion process with kinetic barrier of <= 0.7 eV. On the other hand, there exists a critical cluster size (N-C) of N-C=5, below which 2D layers are preferred to 3D clusters. Hole- or B-doping greatly enhance the Ti-fullerene interaction and lead to stronger dispersion of Ti atoms. Even so, for moderate charge doping (less than seven holes) the critical size of Ti atoms on neutral C-60 surprisingly remains unchanged or only slightly increases to N-C=6 by B-doping. However, we find that the formation of 3D clusters may be hindered by a high kinetic barrier related to the process of single Ti atoms climbing up a single Ti layer. This barrier is similar to 1 eV or even 1.47 eV for B-doped C-60 surfaces which is high enough to stabilize larger 2D structures (N >= N-C) at low temperatures. These findings may prove to be instrumental in stabilizing transition metal coated nanostructures and especially homogeneously Ti-coated fullerenes, which are believed to be a very promising material for hydrogen storage. (C) 2008 American Institute of Physics. C1 [Yang, Shenyuan; Yoon, Mina; Zhang, Zhenyu] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Yang, Shenyuan; Wang, Enge] Chinese Acad Sci, Int Ctr Quantum Struct, Beijing 100190, Peoples R China. [Yang, Shenyuan; Wang, Enge] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. [Yoon, Mina; Zhang, Zhenyu] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Yang, SY (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. EM myoon@ornl.gov RI Yoon, Mina/A-1965-2016 OI Yoon, Mina/0000-0002-1317-3301 FU U.S. DOE [DEFG0205ER46209, DE-AC05-00OR22725]; U.S. NSF [DMR-0606485] FX We thank Christian Hicke for his critical reading and useful discussions. This work was supported by the U.S. DOE (Grant No. DEFG0205ER46209 and the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, DOE, under Contract No. DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed by UT-Battelle, LLC), supplemented by the U.S. NSF (Grant No. DMR-0606485) and the NSF of China. The calculations were performed at ORNL's Center for Computational Sciences and DOE's NERSC. NR 38 TC 26 Z9 26 U1 3 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 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD OCT 7 PY 2008 VL 129 IS 13 AR 134707 DI 10.1063/1.2981043 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 357WA UT WOS:000259876700046 PM 19045116 ER PT J AU Riley, WJ Hsueh, DY Randerson, JT Fischer, ML Hatch, JG Pataki, DE Wang, W Goulden, ML AF Riley, W. J. Hsueh, D. Y. Randerson, J. T. Fischer, M. L. Hatch, J. G. Pataki, D. E. Wang, W. Goulden, M. L. TI Where do fossil fuel carbon dioxide emissions from California go? An analysis based on radiocarbon observations and an atmospheric transport model SO JOURNAL OF GEOPHYSICAL RESEARCH-BIOGEOSCIENCES LA English DT Article ID SAN-BERNARDINO MOUNTAINS; LOS-ANGELES BASIN; SOUTHERN-CALIFORNIA; PONDEROSA PINE; AIR-POLLUTION; OZONE EXPOSURE; CO2; DEPOSITION; CLIMATE; FLUXES AB Characterizing flow patterns and mixing of fossil fuel-derived CO(2) is important for effectively using atmospheric measurements to constrain emissions inventories. Here we used measurements and a model of atmospheric radiocarbon ((14)C) to investigate the distribution and fluxes of atmospheric fossil fuel CO(2) across the state of California. We sampled (14)C in annual C(3) grasses at 128 sites and used these measurements to test a regional model that simulated anthropogenic and ecosystem CO(2) fluxes, transport in the atmosphere, and the resulting Delta(14)C of annual grasses (Delta(g)). Average measured Delta(g) levels in Los Angeles, San Francisco, the Central Valley, and the North Coast were 27.7 +/- 20.0, 44.0 +/- 10.9, 48.7 +/- 1.9, and 59.9 +/- 2.5%, respectively, during the 2004-2005 growing season. Model predictions reproduced regional patterns reasonably well, with estimates of 27.6 +/- 2.4, 39.4 +/- 3.9, 46.8 +/- 3.0, and 59.3 +/- 0.2% for these same regions and corresponding to fossil fuel CO(2) mixing ratios (C(f)) of 13.7, 6.1, 4.8, and 0.3 ppm. Delta(g) spatial heterogeneity in Los Angeles and San Francisco was higher in the measurements than in the predictions, probably from insufficient spatial resolution in the fossil fuel inventories (e. g., freeways are not explicitly included) and transport (e. g., within valleys). We used the model to predict monthly and annual transport patterns of fossil fuel-derived CO(2) within and out of California. Fossil fuel CO(2) emitted in Los Angeles and San Francisco was predicted to move into the Central Valley, raising C(f) above that expected from local emissions alone. Annually, about 21, 39, 35, and 5% of fossil fuel emissions leave the California airspace to the north, east, south, and west, respectively, with large seasonal variations in the proportions. Positive correlations between westward fluxes and Santa Ana wind conditions were observed. The southward fluxes over the Pacific Ocean were maintained in a relatively coherent flow within the marine boundary layer, while the eastward fluxes were more vertically dispersed. Our results indicate that state and continental scale atmospheric inversions need to consider areas where mixing ratio measurements are sparse (e. g., over the ocean to the south and west of California), transport within and across the marine boundary layer, and terrestrial boundary layer dynamics. Radiocarbon measurements can be very useful in constraining these estimates. C1 [Riley, W. J.] EO Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Fischer, M. L.] EO Lawrence Berkeley Natl Lab, Div Energy & Environm, Berkeley, CA 94720 USA. [Hsueh, D. Y.; Randerson, J. T.; Fischer, M. L.; Pataki, D. E.; Goulden, M. L.] Univ Calif Irvine, Earth Syst Sci Dept, Irvine, CA 92697 USA. [Hatch, J. G.] Brightworks LLC, Portland, OR 97209 USA. [Wang, W.] Univ Calif Irvine, Dept Ecol & Evolutionary Biol, Irvine, CA 92717 USA. RP Riley, WJ (reprint author), EO Lawrence Berkeley Natl Lab, Div Earth Sci, 90-1106 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM wjriley@lbl.gov RI Pataki, Diane/F-9732-2011; Goulden, Michael/B-9934-2008; Riley, William/D-3345-2015; OI Riley, William/0000-0002-4615-2304; Hsueh, Diana/0000-0002-6298-5752 FU NASA [NNG05GD126]; Office of Science, U. S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation [0620176] FX We would like to thank the following people for collecting plant samples for us: B. Adamus, P. Adamus, D. Baldocchi, M. S. Carbone, A. M. Delaney, L. Feinstein, D. T. Fischer, M. L. Fischer, J. G. Hatch, F. M. Kai, P. G. Kennedy, L. E. Koteen, E. A. Lyons, M. and R. Lyons, R. Redmond, A. V. Rocha, D. L. Serio, J. K. Shake, M. V. Talluto, S. E. Trumbore, and S. Weiss. J. G. Hatch was supported by a Summer Undergraduate Research Education internship at LBNL through the DOE Global Change Education Program. We also wish to thank M. V. Talluto, P. A. Bowler, and M. A. Elvin for identifying grass samples; and Y. Fung for characterizing the Delta14C of respiration. NCEP Reanalysis data provided by the NOAA/OAR/ESRL PSD, Boulder, Colorado, USA, from their Web site at http://www.cdc.noaa.gov/. We gratefully acknowledge support from NASA (NNG05GD126), the Office of Science, U. S. Department of Energy (DE-AC02-05CH11231), and the National Science Foundation (0620176). NR 70 TC 28 Z9 29 U1 2 U2 20 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-BIOGEO JI J. Geophys. Res.-Biogeosci. PD OCT 7 PY 2008 VL 113 IS G4 AR G04002 DI 10.1029/2007JG000625 PG 16 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 359LW UT WOS:000259989300001 ER PT J AU Fairfield, DH Wing, S Newell, PT Ruohoniemi, JM Gosling, JT Skoug, RM AF Fairfield, D. H. Wing, S. Newell, P. T. Ruohoniemi, J. M. Gosling, J. T. Skoug, R. M. TI Polar rain gradients and field-aligned polar cap potentials SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID LOW-ENERGY ELECTRONS; DENSITY SOLAR-WIND; LOW-ALTITUDE; PLASMA; MAGNETOSPHERE; CUSP; PRECIPITATION; CONVECTION; ENTRY; IONOSPHERE AB ACE SWEPAM measurements of solar wind field-aligned electrons have been compared with simultaneous measurements of polar rain electrons precipitating over the polar cap and detected by DMSP spacecraft. Such comparisons allow investigation of cross-polar-cap gradients in the intensity of otherwise-steady polar rain. The generally good agreement of the distribution functions, f, from the two data sources confirms that direct entry of solar electrons along open field lines is indeed the cause of polar rain. The agreement between the data sets is typically best on the side of the polar cap with most intense polar rain but the DMSP f's in less intense regions can be brought into agreement with ACE measurements by shifting all energies by a fixed amounts that range from tens to several hundred eV. In most cases these shifts are positive which implies that field-aligned potentials of these amounts exist on polar cap field lines which tend to retard the entry of electrons and produce the observed gradients. These retarding potentials undoubtedly appear in order to prevent the entry of low-energy electrons and maintain charge quasi-neutrality that would otherwise be violated since most tailward flowing magnetosheath ions are unable to follow polar rain electrons down to the polar cap. In more limited regions near the boundary of the polar cap there is sometimes evidence for field-aligned potentials of the opposite sign that accelerate polar rain electrons. A solar electron burst is also studied and it is concluded that electrons from such bursts can enter the magnetotail and precipitate in the same manner as polar rain. C1 [Fairfield, D. H.] NASA, Goddard Space Flight Ctr, Space Weather Lab, Greenbelt, MD 20771 USA. [Wing, S.; Newell, P. T.; Ruohoniemi, J. M.] Johns Hopkins Univ, Appl Phys Lab, Laurel, MD 20723 USA. [Gosling, J. T.] Univ Colorado, Atmospher & Space Phys Lab, Boulder, CO 80303 USA. [Skoug, R. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Fairfield, DH (reprint author), NASA, Goddard Space Flight Ctr, Space Weather Lab, Greenbelt, MD 20771 USA. EM mikeruo@vt.edu FU NASA [NNG05GJ55G, NNX06AB87G]; NASA ACE program; U.S., Canada, UK, France, Japan, South Africa, Italy, and Australia; NSF [ATM-0418101, ATM-0703445, ATM-0538513] FX Work at LASP has been supported by NASA grant NNG05GJ55G. Work at Los Alamos was performed under the auspices of the U.S. Department of Energy, with financial support from the NASA ACE program. Operation of the SuperDARN radars is supported by the national funding agencies of the U.S., Canada, UK, France, Japan, South Africa, Italy, and Australia. J.M.R. acknowledges the support of NSF grant ATM-0418101 and S.W. acknowledges the support of NASA grant NNX06AB87G and NSF grants ATM-0703445 and ATM-0538513. We gratefully acknowledge the Center for Space Sciences at the University of Texas at Dallas and the U.S. Air Force for providing the DMSP thermal plasma data. M.L. Kaiser is thanked for useful discussions and for the preparation of the Wind Waves data. N. Gopalswamy helped in the interpretation of solar data. NR 36 TC 9 Z9 9 U1 0 U2 1 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD OCT 7 PY 2008 VL 113 IS A10 AR A10203 DI 10.1029/2008JA013437 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 359MS UT WOS:000259991700003 ER PT J AU Dunphy, D Fan, HY Li, XF Wang, J Brinker, CJ AF Dunphy, Darren Fan, Hongyou Li, Xuefa Wang, Jin Brinker, C. Jeffrey TI Dynamic investigation of gold nanocrystal assembly using in situ grazing-incidence small-angle X-ray scattering SO LANGMUIR LA English DT Article ID PHASE-DIAGRAM; THIN-FILMS; YUKAWA SYSTEMS; SUPERLATTICES; NANOPARTICLES; MICELLES; ARRAYS AB Here we investigate the dynamic self-assembly pathway of ordered gold nanocrystal arrays during the self-assembly of gold nanocrystal micelles, with and without the presence of colloidal silica precursors, using grazing-incidence X-ray scattering performed at a synchrotron source. With silica precursors present, a lattice with rhombohedral symmetry is formed from the partial collapse of a face-centered cubic structure. In the absence of silica, a transient body-centered orthorhombic phase appears, which rapidly collapses into a glassy nanocrystal film. The appearance of face-centered and body-centered structures is consistent with a phase diagram for charged colloidal particles with assembly modulated via Coulomb screening. C1 [Dunphy, Darren; Fan, Hongyou; Brinker, C. Jeffrey] Univ New Mexico, NSF Ctr Microengineered Mat, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. [Fan, Hongyou; Brinker, C. Jeffrey] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. [Li, Xuefa; Wang, Jin] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Fan, HY (reprint author), Univ New Mexico, NSF Ctr Microengineered Mat, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. EM hfan@sandia.gov FU U.S. Department of Energy (DOE) Basic Energy Sciences Program; Sandia National Laboratory's Laboratory Directed RD program; National Science Foundation [DMI-0625897]; NSF EPSCOR; NNIN; Department of Energy [DE-AC02-6CH11357]; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank Eric Branson, Adam Cook, Adrian Rodriguez, and DeAnna Lopez for their assistance with GISXAS experiments. This work was supported by the U.S. Department of Energy (DOE) Basic Energy Sciences Program, Sandia National Laboratory's Laboratory Directed R&D program, and the National Science Foundation (DMI-0625897). TEM studies were performed in the Department of Earth and Planetary at the University of New Mexico. We acknowledge the use of the SEM facility supported by the NSF EPSCOR and NNIN grants. The authors also would like to acknowledge the staff support at the APS and the use of APS 8-ID-E beamline facility; use of the APS is supported by the Department of Energy under contract DE-AC02-6CH11357. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 26 TC 27 Z9 27 U1 0 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD OCT 7 PY 2008 VL 24 IS 19 BP 10575 EP 10578 DI 10.1021/la802120n PG 4 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 354XP UT WOS:000259673500010 PM 18783257 ER PT J AU Kwon, KY Wang, E Chung, A Chang, N Saiz, E Choe, UJ Koobatian, M Lee, SW AF Kwon, Ki-Young Wang, Eddie Chung, Alice Chang, Neil Saiz, Eduardo Choe, Uh-Joo Koobatian, Maxwell Lee, Seung-Wuk TI Defect induced asymmetric pit formation on hydroxyapatite SO LANGMUIR LA English DT Article ID CRYSTAL DISSOLUTION; KINETICS; APATITES; SURFACE; BONE; OSTEOCLASTS; MECHANISM; CARIES; MODEL; ACID AB Defect sites on bone minerals play a critical role in bone remodeling processes. We investigated single crystal hydroxyapatite (100) surfaces bearing crystal defects under acidic dissolution conditions using real-time in situ atomic force microscopy. At defect sites, surface structure-dependent asymmetric hexagonal etch pits were formed, which dominated the overall dissolution rate. Meanwhile, dissolution from the flat terraces proceeded by stochastic formation of flat bottom etch pits. The resulting pit shapes were intrinsically dictated by the HAP crystal structure. Computational modeling also predicted different step energies associated with different facets of the asymmetric etch pits. Our microscopic observations of HAP dissolution are significant for understanding the effects of local surface structure on the bone mineral remodeling process and provide useful insights for the design of novel therapies for treating osteoporosis and dental caries. C1 [Kwon, Ki-Young; Wang, Eddie; Chung, Alice; Chang, Neil; Lee, Seung-Wuk] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Kwon, Ki-Young; Wang, Eddie; Chung, Alice; Chang, Neil; Lee, Seung-Wuk] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Kwon, Ki-Young; Wang, Eddie; Chung, Alice; Chang, Neil; Lee, Seung-Wuk] Berkeley Nanosci & Nanoengn Inst, Berkeley, CA 94720 USA. [Saiz, Eduardo] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Choe, Uh-Joo] Univ Calif Los Angeles, Dept Bioengn, Los Angeles, CA 90095 USA. [Koobatian, Maxwell] Univ Calif Merced, Dept Chem, Merced, CA 95344 USA. RP Lee, SW (reprint author), Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. EM leesw@berkeley.edu OI Wang, Eddie/0000-0002-9814-0102 FU National Science Foundation Early Career Development Award [DMR-0747713]; Nanoscience and Nanotechnology Institute at the University of California, Berkeley; Laboratory Directed Research; Lawrence Berkeley National Laboratory FX We thank Dr. James De Yoreo for helpful discussions. This work was supported by National Science Foundation Early Career Development Award (DMR-0747713). start-up funds from the Nanoscience and Nanotechnology Institute at the University of California, Berkeley (SWL), the Laboratory Directed Research and Development fund from the Lawrence Berkeley National Laboratory. NR 34 TC 16 Z9 17 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD OCT 7 PY 2008 VL 24 IS 19 BP 11063 EP 11066 DI 10.1021/la801735c PG 4 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 354XP UT WOS:000259673500079 PM 18720964 ER PT J AU Colon, G Sampedro, P Fernandez-Garcia, M Chen, HY Hanson, JC Rodriguez, JA AF Colon, Gerardo Sampedro, Patricia Fernandez-Garcia, Marcos Chen, Haiyan Hanson, Jonathan C. Rodriguez, Jose A. TI Synthesis, characterization, and photodegradation behavior of single-phase anatase TiO2 materials synthesized from Ti-oxychloride precursors SO LANGMUIR LA English DT Article ID N-DOPED TIO2; VISIBLE-LIGHT PHOTOCATALYSIS; TITANIUM-DIOXIDE; RUTILE TIO2; SURFACE; NANOPARTICLES; OXIDES; SPECTROSCOPY; PHOTOOXIDATION; PHOTOACTIVITY AB Single-phase anatase-TiO2 nanomaterials with a size of ca. 10 nm and variable quantities of anion impurities were prepared using a novel pathway based on the use of amorphous ammonium Ti-oxychloride precursors synthesized using Ti/Cl initial ratios between 1 and 6. The precursor nature and evolution under thermal treatment were studied using chemical analysis, XRD, XPS, DRIFTS, and mass spectrometry. The nature and concentration of anatase-TiO2 materials anion impurities were analyzed by XPS and DRIFTS. It is shown that negatively charged impurities located in substitutional positions of the anatase network are maximized for a sample synthesized using a Ti/Cl 1:1 atomic ratio and are responsible for the elimination of liquid-phase (phenol) and gas-phase (isopropanol or methylcyclohexane) pollutants under sunlight excitation. A link is established among the initial chemical characterization of the precursors, the final morphological, structural, and chemical composition of the oxide materials, and their photochemical properties. C1 [Sampedro, Patricia; Fernandez-Garcia, Marcos] CSIC, Inst Catalisis & Petroleoquim, Madrid 28049, Spain. [Colon, Gerardo] Univ Seville, CSIC, Inst Ciencia Mat, Ctr Mixto, Seville 41092, Spain. [Chen, Haiyan; Hanson, Jonathan C.; Rodriguez, Jose A.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Fernandez-Garcia, M (reprint author), CSIC, Inst Catalisis & Petroleoquim, Campus Cantoblanco, Madrid 28049, Spain. EM mfg@icpc.sic.es; rodrigez@bnl.gov RI Hanson, jonathan/E-3517-2010; Chen, Haiyan/C-8109-2012; Fernandez-Garcia, Marcos/A-8122-2014; Colon, Gerardo/E-9332-2010 OI Colon, Gerardo/0000-0002-4086-0270 FU Spanish Ministerio de Educacion y Ciencia for a predoctoral FPI fellowship [CTQ2004-5734-CO2-2, CTQ-2007-0480/BQU, P06-FQM-1406]; U.S. Department of Energy; Division of Chemical Sciences [DE-AC02-8CH10086] FX Financial support by the projects CTQ2004-5734-CO2-2, CTQ-2007-0480/BQU, and P06-FQM-1406 is fully acknowledued. P.S. thanks the Spanish Ministerio de Educacion y Ciencia for a predoctoral FPI fellowship. The research carried out at the Chemistry Department of Brookhaven National Laboratory was funded by the U.S. Department of Energy, Division of Chemical Sciences (contract no. DE-AC02-8CH10086). We are grateful to A. Nambu for his help during the recording of the XPS spectra. NR 58 TC 7 Z9 7 U1 1 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD OCT 7 PY 2008 VL 24 IS 19 BP 11111 EP 11118 DI 10.1021/la8014018 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 354XP UT WOS:000259673500086 PM 18788768 ER PT J AU Van Vuuren, DP Meinshausen, M Plattner, GK Joos, F Strassmann, KM Smith, SJ Wigley, TML Raper, SCB Riahi, K de la Chesnaye, F den Elzen, MGJ Fujino, J Jiang, K Nakicenovic, N Paltsev, S Reilly, JM AF Van Vuuren, D. P. Meinshausen, M. Plattner, G. -K. Joos, F. Strassmann, K. M. Smith, S. J. Wigley, T. M. L. Raper, S. C. B. Riahi, K. de la Chesnaye, F. den Elzen, M. G. J. Fujino, J. Jiang, K. Nakicenovic, N. Paltsev, S. Reilly, J. M. TI Temperature increase of 21st century mitigation scenarios SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE climate; climate policy; stabilization; integrated assessment; scenario ID CLIMATE-CHANGE; EMISSION SCENARIOS; CARBON UPTAKE; PROJECTIONS; COSTS; STABILIZATION; UNCERTAINTY; TARGETS; MODELS AB Estimates of 21st Century global-mean surface temperature increase have generally been based on scenarios that do not include climate policies. Newly developed multigas mitigation scenarios, based on a wide range of modeling approaches and socioeconomic assumptions, now allow the assessment of possible impacts of climate policies on projected warming ranges. This article assesses the atmospheric CO2 concentrations, radiative forcing, and temperature increase for these new scenarios using two reduced-complexity climate models. These scenarios result in temperature increase of 0.5-4.4 degrees C over 1990 levels or 0.3-3.4 degrees C less than the no-policy cases. The range results from differences in the assumed stringency of climate policy and uncertainty in our understanding of the climate system. Notably, an average minimum warming of approximate to 1.4 degrees C (with a full range of 0.5-2.8 degrees C) remains for even the most stringent stabilization scenarios analyzed here. This value is substantially above previously estimated committed warming based on climate system inertia alone. The results show that, although ambitious mitigation efforts can significantly reduce global warming, adaptation measures will be needed in addition to mitigation to reduce the impact of the residual warming. C1 [Van Vuuren, D. P.; den Elzen, M. G. J.] Netherlands Environm Assessment Agcy, Global Sustainabil & Climate, NL-3720 AH Bilthoven, Netherlands. [Meinshausen, M.] Potsdam Inst Climate Impact Res, D-14412 Potsdam, Germany. [Plattner, G. -K.] ETH, Inst Biogeochem & Pollutant Dynam, CH-8092 Zurich, Switzerland. [Plattner, G. -K.; Joos, F.; Strassmann, K. M.] Univ Bern, Inst Phys, CH-3012 Bern, Switzerland. [Joos, F.] Univ Bern, Oeschger Ctr Climate Change Res, CH-3012 Bern, Switzerland. [Smith, S. J.] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. [Wigley, T. M. L.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Raper, S. C. B.] Manchester Metropolitan Univ, Ctr Air Transport & Environm, Manchester M15 6BH, Lancs, England. [Riahi, K.] Int Inst Appl Syst Anal, A-2361 Laxenburg, Austria. [Riahi, K.] Graz Univ Technol, A-8010 Graz, Austria. [de la Chesnaye, F.] Elect Power Res Inst, Global Climate Program, Washington, DC 20036 USA. [Fujino, J.; Nakicenovic, N.] Natl Inst Environm Studies, Climate Policy Assessment Sect, Ctr Global Environm Res, Tsukuba, Ibaraki 3058506, Japan. [Jiang, K.] Energy Res Inst, Beijing 100038, Peoples R China. [Paltsev, S.; Reilly, J. M.] MIT, Joint Program Sci & Policy Global Change, Cambridge, MA 02139 USA. RP Van Vuuren, DP (reprint author), Netherlands Environm Assessment Agcy, Global Sustainabil & Climate, POB 303, NL-3720 AH Bilthoven, Netherlands. EM detlef.vanvuuren@pbl.nl RI Meinshausen, Malte/A-7037-2011; van Vuuren, Detlef/A-4764-2009; den Elzen, Michel/M-2779-2016; Riahi, Keywan/B-6426-2011; Plattner, Gian-Kasper/A-5245-2016 OI Meinshausen, Malte/0000-0003-4048-3521; van Vuuren, Detlef/0000-0003-0398-2831; den Elzen, Michel/0000-0002-5128-8150; Riahi, Keywan/0000-0001-7193-3498; Joos, Fortunat/0000-0002-9483-6030; Plattner, Gian-Kasper/0000-0002-3765-0045 NR 40 TC 68 Z9 69 U1 3 U2 24 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 OCT 7 PY 2008 VL 105 IS 40 BP 15258 EP 15262 DI 10.1073/pnas.0711129105 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 364UI UT WOS:000260360500011 PM 18838680 ER PT J AU Bae, JU Lin, TY Reno, JL Bird, JP AF Bae, J. -U. Lin, T. -Y. Reno, J. L. Bird, J. P. TI Nonlinear characteristics of the hysteretic magnetoresistance of a hybrid nanomagnetic field-effect transistor SO APPLIED PHYSICS LETTERS LA English DT Article ID 2-DIMENSIONAL ELECTRON-GAS; MAGNETIC EDGE STATES; HALL-EFFECT DEVICE; BARRIER; TRANSPORT; GATE AB We analyze the influence of applied source-drain bias (V(sd)) on the magnetoresistance (MR) of a field-effect transistor (FET) whose gate is formed by a nanoscale magnet. Using an external magnetic field to modulate the fringing magnetic fields that emanate into the channel of the hybrid FET from its gate, we observe a strongly hysteretic MR that is suppressed by the application of V(sd). Our analysis suggests that the effect of V(sd) is to reduce the effective barrier in the channel and that the tunneling/activated MR is quenched due to the associated increase in carrier transmission. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2987735] C1 [Bae, J. -U.; Lin, T. -Y.; Bird, J. P.] SUNY Buffalo, Dept Elect Engn, Buffalo, NY 14216 USA. [Reno, J. L.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Bae, JU (reprint author), SUNY Buffalo, Dept Elect Engn, Buffalo, NY 14216 USA. EM jbird@buffalo.edu RI Bird, Jonathan/G-4068-2010 OI Bird, Jonathan/0000-0002-6966-9007 FU Department of Energy [DE-FG02-04ER46180]; Center for Integrated Nanotechnologies; U. S. DOE; Office of Basic Energy Sciences Nanoscale Science Research Center; U. S. Department of Energy [DE-AC04-94AL85000] FX This work was supported by the Department of Energy (Grant No. DE-FG02-04ER46180) and performed, in part, at the Center for Integrated Nanotechnologies, a U. S. DOE, Office of Basic Energy Sciences Nanoscale Science Research Center. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed-Martin Co., for the U. S. Department of Energy under Contract No. DE-AC04-94AL85000. NR 31 TC 6 Z9 6 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 6 PY 2008 VL 93 IS 14 AR 143109 DI 10.1063/1.2987735 PG 3 WC Physics, Applied SC Physics GA 359DC UT WOS:000259965400052 ER PT J AU Rodriguez, BJ Chu, YH Ramesh, R Kalinin, SV AF Rodriguez, Brian J. Chu, Y. H. Ramesh, R. Kalinin, Sergei V. TI Ferroelectric domain wall pinning at a bicrystal grain boundary in bismuth ferrite SO APPLIED PHYSICS LETTERS LA English DT Article ID NANOSCALE FERROELECTRICS; THIN-FILMS AB The ferroelectric polarization switching behavior at the 24 degrees (100) tilt grain boundary (GB) in an epitaxial multiferroic BiFeO(3) bicrystal film is studied using piezoresponse force microscopy (PFM). The PFM amplitudes across positively and negatively poled GB regions suggest the presence of a frozen polarization component at the interface. The switching experiments demonstrate that the GB attracts the domain wall and acts as a pinning center. The PFM results are compared with conductive atomic force microscopy and spectroscopy, which suggest domain wall pinning at the GB can be partially attributed to increased conductance at the GB. (C) 2008 American Institute of Physics. C1 [Kalinin, Sergei V.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Chu, Y. H.] Natl Chiao Tung Univ, Dept Mat Sci & Engn, Hsinchu 30013, Taiwan. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Ramesh, R.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Kalinin, SV (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM sergei2@ornl.gov RI Rodriguez, Brian/A-6253-2009; Ying-Hao, Chu/A-4204-2008; Kalinin, Sergei/I-9096-2012 OI Rodriguez, Brian/0000-0001-9419-2717; Ying-Hao, Chu/0000-0002-3435-9084; Kalinin, Sergei/0000-0001-5354-6152 FU Center for Nanophase Materials Sciences; Oak Ridge National Laboratory; Office of Basic Energy Sciences; U. S. Department of Energy; Director, Office of Science, Office of Basic Energy Sciences; Division of Materials Sciences and Engineering; U. S. Department of Energy [DE-AC02-05CH11231]; Alexander von Humboldt Foundation; National Science Council, R.O.C [NSC 97-3114-M-009-001] FX Research was sponsored by the Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC for the Office of Basic Energy Sciences, U. S. Department of Energy (B. J. R., S. V. K.) and the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, and U. S. Department of Energy under Contract No. DE-AC02-05CH11231 (Y.H.C.,R. R.). Brian Rodriguez acknowledges the financial support of the Alexander von Humboldt Foundation. Y.H.C. would also like to acknowledge the support of the National Science Council, R.O.C., under Contract No. NSC 97-3114-M-009-001. NR 15 TC 28 Z9 28 U1 2 U2 33 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 6 PY 2008 VL 93 IS 14 AR 142901 DI 10.1063/1.2993327 PG 3 WC Physics, Applied SC Physics GA 359DC UT WOS:000259965400040 ER PT J AU Wilson, TMS Chinn, DA Robinson, DB Doty, FP AF Wilson, Tiffany M. S. Chinn, Douglas A. Robinson, David B. Doty, F. P. TI Postpolymerization alignment of bulk conjugated polymers SO APPLIED PHYSICS LETTERS LA English DT Article ID POLY(PHENYLENE VINYLENE); MOLECULAR-ORIENTATION; POLY(P-PHENYLENE VINYLENE); CONDUCTIVITY; TRANSISTORS; FILMS AB We have demonstrated postpolymerization stretch alignment of substituted conjugated polymers as evidenced by polarized infrared spectroscopy, with a Hermans orientation function value of 0.66 for a stretch ratio of 3.7. The effects of stretch rate and substrate on the material order are examined. We further show that the stretch-induced increase in long-range order leads to an increase in photoconductive response parallel to the stretch direction, and a decrease in the orthogonal direction. The introduction of small amounts of substituted fullerenes does not interfere with the ordering of the polymer on a bulk scale. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2978247] C1 [Wilson, Tiffany M. S.; Robinson, David B.; Doty, F. P.] Sandia Natl Labs, Livermore, CA 94550 USA. [Wilson, Tiffany M. S.] Ohio State Univ, Dept Chem & Biomol Engn, Columbus, OH 43210 USA. [Chinn, Douglas A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Wilson, TMS (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM fpdoty@sandia.gov FU Sandia Corporation; Lockheed Martin Co.; United States Department of Energy [DE-AC04-94AL8500]; Laboratory Directed Research and Development; National Science Foundation [0221678] FX Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Co., for the United States Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL8500. This work was supported by Sandia's internal Laboratory Directed Research and Development program and the National Science Foundation under Grant No. 0221678. Thanks to Dr. L. James Lee and Dr. Arthur Epstein at The Ohio State University for guidance. NR 18 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 6 PY 2008 VL 93 IS 14 AR 143304 DI 10.1063/1.2978247 PG 3 WC Physics, Applied SC Physics GA 359DC UT WOS:000259965400064 ER PT J AU Yang, H Wang, H Zou, GF Jain, M Suvorova, NA Feldmann, DM Dowden, PC DePaula, RF MacManus-Driscoll, JL Taylor, AJ Jia, QX AF Yang, H. Wang, H. Zou, G. F. Jain, M. Suvorova, N. A. Feldmann, D. M. Dowden, P. C. DePaula, R. F. MacManus-Driscoll, J. L. Taylor, A. J. Jia, Q. X. TI Leakage mechanisms of self-assembled (BiFeO(3))(0.5):(Sm(2)O(3))(0.5) nanocomposite films SO APPLIED PHYSICS LETTERS LA English DT Article ID BIFEO3 THIN-FILMS; MULTIFERROICS; NANOSTRUCTURES AB Nanocomposite (BiFeO(3))(0.5):(Sm(2)O(3))(0.5) films were deposited on (001) oriented Nb-doped SrTiO(3) substrates by pulsed laser deposition. The leakage current density versus electric field characteristics were investigated and compared with those of as-deposited and annealed pure BiFeO(3) (BFO) thin films. The dominant leakage mechanisms of nanocomposite films were space-charge-limited current and Poole-Frenkle emission for positive and negative biases, respectively. The leakage current density of nanocomposite films was reduced three orders of magnitude in comparison with the as-deposited pure BFO films. The less oxygen vacancies in the BFO phase in the nanocomposite is believed to contribute to the leakage reduction. (C) 2008 American Institute of Physics. C1 [Yang, H.; Zou, G. F.; Jain, M.; Suvorova, N. A.; Feldmann, D. M.; Dowden, P. C.; DePaula, R. F.; Taylor, A. J.; Jia, Q. X.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Wang, H.] Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA. [MacManus-Driscoll, J. L.] Univ Cambridge, Dept Mat Sci & Met, Cambridge CB2 3QZ, England. RP Yang, H (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA. EM hyang@lanl.gov; qxjia@lanl.gov RI Jia, Q. X./C-5194-2008; ZOU, GUIFU/C-8498-2011; Wang, Haiyan/P-3550-2014; OI Wang, Haiyan/0000-0002-7397-1209; Jain, Menka/0000-0002-2264-6895 FU U. S. Department of Energy through the LANL/LDRD Program FX We gratefully acknowledge the support of the U. S. Department of Energy through the LANL/LDRD Program for this work. NR 27 TC 28 Z9 28 U1 4 U2 18 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 6 PY 2008 VL 93 IS 14 AR 142904 DI 10.1063/1.3000013 PG 3 WC Physics, Applied SC Physics GA 359DC UT WOS:000259965400043 ER PT J AU Zhang, TF Park, JY Huang, WY Somorjai, GA AF Zhang, Tianfu Park, Jeong Y. Huang, Wenyu Somorjai, Gabor A. TI Influence of reaction with XeF(2) on surface adhesion of Al and Al(2)O(3) surfaces SO APPLIED PHYSICS LETTERS LA English DT Article ID DECAGONAL QUASI-CRYSTALS; ATOMIC-FORCE MICROSCOPY; XENON DIFLUORIDE; SILICON AB The change in surface adhesion after fluorination of Al and Al(2)O(3) surfaces using XeF(2) was investigated with atomic force microscopy. The chemical interaction between XeF(2) and Al and Al(2)O(3) surfaces was studied by in situ x-ray photoelectron spectroscopy. Fresh Al and Al(2)O(3) surfaces were obtained by etching top silicon layers of Si/Al and Si/Al(2)O(3) with XeF(2). The surface adhesion and chemical composition were measured after the exposure to air or annealing (at 200 degrees C under vacuum). The correlation between the adhesion force increase and presence of AlF(3) on the surface was revealed. (C) 2008 American Institute of Physics. C1 [Somorjai, Gabor A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Somorjai, GA (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM somorjai@berkeley.edu RI Park, Jeong Young/A-2999-2008; Huang, Wenyu/L-3784-2014 OI Huang, Wenyu/0000-0003-2327-7259 FU UC discovery Grant [ELE05-10221]; U.S. Department of Energy [DE-AC02-05CH11231] FX This work was funded through UC discovery Grant No. ELE05-10221 and was partially supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering of the U. S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 17 TC 8 Z9 8 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 6 PY 2008 VL 93 IS 14 AR 141905 DI 10.1063/1.2992632 PG 3 WC Physics, Applied SC Physics GA 359DC UT WOS:000259965400015 ER PT J AU Moore, EG Seitz, M Raymond, KN AF Moore, Evan G. Seitz, Michael Raymond, Kenneth N. TI Use of Yb-III-centered near-infrared (NIR) luminescence to determine the hydration state of a 3,2-HOPO-based MRI contrast agent SO INORGANIC CHEMISTRY LA English DT Article ID FAST WATER EXCHANGE; HIGH RELAXIVITY; COMPLEXES; NUMBER; RELAXATION; CHELATE AB The synthesis, structure, and characterization of a [Yb(Tren-Me3,2-HOPO)(H2O)(2)] complex are reported. As a result of its Yb-III emission in the near-infrared region, sensitized by the Me-3,2-HOPO chromophore, this complex can be utilized for the first time to determine the hydration state, q, via the luminescence lifetimes and hence the solution structure of these Me-3,2-HOPO-type ligands, which have attracted significant interest in complex with Gd-III as possible next-generation magnetic resonance imaging contrast agents. C1 [Raymond, Kenneth N.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Glenn T Seaborg Ctr, 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]; U.S. Department of Energy at LBNL [DE-AC02-05CH11231] FX This work was partially supported by the NIH (Grant HL69832) and 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 DE-AC02-05CH11231. NR 14 TC 14 Z9 14 U1 2 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 OCT 6 PY 2008 VL 47 IS 19 BP 8571 EP 8573 DI 10.1021/ic801060x PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 353XY UT WOS:000259603800016 PM 18729353 ER PT J AU Dietrich, BL Goldberg, KI Heinekey, DM Autrey, T Linehan, JC AF Dietrich, Brandon L. Goldberg, Karen I. Heinekey, D. Michael Autrey, Tom Linehan, John C. TI Iridium-catalyzed dehydrogenation of substituted amine boranes: kinetics, thermodynamics, and implications for hydrogen storage SO INORGANIC CHEMISTRY LA English DT Article ID ELECTRONIC-STRUCTURE; AMMONIA-BORANE; ADDUCTS; COMPLEXES AB Dehydrogenation of amine boranes is catalyzed efficiently by the iridium pincer complex (kappa(3)-1,3-((OPBu2)-Bu-t)(2)C6H3)Ir(H)(2) (1). With CH3NH2BH3 (MeAB) and with AB/MeAB mixtures (AB = NH3BH3), the rapid release of 1 equiv of H-2 is observed to yield soluble oligomeric products at rates similar to those previously reported for the dehydrogenation of AB catalyzed by 1. Delta H for the dehydrogenation of AB, MeAB, and AB/MeAB mixtures has been determined by calorimetry. The experimental heats of reaction are compared to results from computational studies. C1 [Dietrich, Brandon L.; Goldberg, Karen I.; Heinekey, D. Michael] Univ Washington, Dept Chem, Seattle, WA 98195 USA. [Autrey, Tom; Linehan, John C.] Pacific NW Natl Lab, Fundamental Sci Div, Richland, WA 99352 USA. RP Goldberg, KI (reprint author), Univ Washington, Dept Chem, Box 351700, Seattle, WA 98195 USA. EM goldberg@chem.washington.edu; heinekey@chem.washington.edu FU U.S. Department of Energy (DOE) FX This work was supported by the U.S. Department of Energy (DOE) as part of the Center of Excellence for Chemical Hydrogen Storage. PNNL is operated for the DOE by Battelle. Thanks to A. St. John, L. Kruse and M. Sadilek at UW for skilled technical assistance. Thanks to Abhi Karkamkar of PNNL for assistance with the calorimetry. NR 22 TC 115 Z9 115 U1 3 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 OCT 6 PY 2008 VL 47 IS 19 BP 8583 EP 8585 DI 10.1021/ic801161g PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 353XY UT WOS:000259603800020 PM 18785732 ER PT J AU Chatterjee, PB Abtab, SMT Bhattacharya, K Endo, A Shotton, EJ Teat, SJ Chaudhury, M AF Chatterjee, Pabitra Baran Abtab, Sk Md Towsif Bhattacharya, Kisholoy Endo, Akira Shotton, Elizabeth J. Teat, Simon J. Chaudhury, Muktimoy TI Hetero-bimetallic complexes involving vanadium(V) and rhenium(VII) centers, connected by unsupported mu-oxido bridge: Synthesis, characterization, and redox study SO INORGANIC CHEMISTRY LA English DT Article ID MAIN-GROUP ELEMENTS; X-RAY STRUCTURES; TRANSITION-METALS; MULTIPLE BONDS; DIVANADIUM(V) COMPOUNDS; CRYSTAL-STRUCTURES; STRUCTURAL-CHARACTERIZATION; COORDINATION ASYMMETRY; ELECTRONIC-STRUCTURES; PORPHYRIN COMPLEXES AB Heterobimetallic complexes of a vanadium(V) and rhenium(VII) combination connected by mu-oxido bridge [LVO(mu-O)ReO3]center dot H2O [H2L = N, N'-ethylene bis(salicylideneimine) (H(2)salen) and its methoxy derivative] (1, 2) are reported. The compounds have been prepared by a single-pot synthesis in which the precursor [(VOL)-O-IV] complexes are allowed to be oxidized aerially in the presence of added perrhenate. The oxidized [(VOL)-O-V](+) species accommodate the ReO4- anion in their vacant coordination site, trans to the terminal oxido group, providing the complexes 1 and 2. The later generates a binuclear oxovanadium(V) compound [H(2)en][(TBC)VO(mu-TBC)(2)OV(TBC)]center dot 5H(2)O (3) when treated with tetrabromocatechol. Single crystal X-ray diffraction analysis and H-1 NMR spectroscopy have been used to establish their identities. In compound 2, the Re(1)-O(11)-V(1) bridge angle is barely linear [170.2(3)degrees] with a Re...V separation of 3.9647(9) angstrom. The redox behavior of 1 and 2 are quite interesting, each undergoing two reductions both in the positive potential range at E-1/2 = 0.59 (process I) and E-1/2 = 0.16 V (process II) versus Ag/AgCl reference (corresponding potentials are 0.59 and 0.18 V for 2). Process I has a single-electron stoichiometry involving the [VO(salen)] part of the complexes as established by combined coulometry-Electron Paramagnetic Resonance (EPR) experiments which provide an eight-line isotropic EPR pattern at room temperature (< g > = 1.967; < A > = 87 x 10(-4) cm-1), characteristic of an unpaired electron being coupled to a vanadium nuclear spin (V-51, I = 7/2). The almost linear V-O-Re bridge in 1 and 2 allows this unpaired electron to interact effectively with the neighboring Re nuclear spin, leading to familiar "two-line pattern" superhyperfine coupling (A ((185),Re-187) = 20.7 x 10(-4) cm(-1)). Process II, on the other hand, is based on a Re(VII/VI) electron transfer as confirmed by differential pulse and normal pulse voltammetric experiments. C1 [Chatterjee, Pabitra Baran; Abtab, Sk Md Towsif; Bhattacharya, Kisholoy; Chaudhury, Muktimoy] Indian Assoc Cultivat Sci, Dept Inorgan Chem, Kolkata 700032, India. [Endo, Akira] Sophia Univ, Fac Sci & Technol, Dept Mat & Life Sci, Chiyoda Ku, Tokyo 1028554, Japan. [Shotton, Elizabeth J.] Diamond Light Source Ltd, Didcot OX11 0DE, Oxon, England. [Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Chaudhury, M (reprint author), Indian Assoc Cultivat Sci, Dept Inorgan Chem, Kolkata 700032, India. EM icmc@iacs.res.in RI Shotton, Elizabeth/C-3486-2014; Abtab, Sk Md Towsif/M-5951-2013 FU Council of Scientific and Industrial Research (CSIR), New Delhi; Sophia University, Japan for a Lecturing-Research; Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Council of Scientific and Industrial Research (CSIR), New Delhi. Three of us (P.B.C., S.M.T.A., and K.B.) also thank the CSIR for the award of Research Fellowships. M.C. thanks the authorities of Sophia University, Japan for a Lecturing-Research Grant, 2006. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 96 TC 23 Z9 23 U1 0 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD OCT 6 PY 2008 VL 47 IS 19 BP 8830 EP 8838 DI 10.1021/ic800815p PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 353XY UT WOS:000259603800055 PM 18717583 ER PT J AU Stowe, AC Berseth, PA Farrell, TP Laughlin, L Anton, D Zidan, R AF Stowe, Ashley C. Berseth, Polly A. Farrell, Thomas P. Laughlin, Laura Anton, Donald Zidan, Ragaiy TI Investigation of the thermodynamics governing metal hydride synthesis in the molten state process SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE Metal hydrides; Hydrogen absorbing materials; Mechanicochemical processing; Thermodynamic properties ID HYDROGEN STORAGE MATERIALS; SODIUM ALUMINUM HYDRIDES; 2 SOLVENT ADDUCTS; THERMAL-DECOMPOSITION; ELECTRONIC-STRUCTURE; CARBON NANOTUBES; MAGNESIUM; NAMGH3; MG(ALH4)(2); NA3ALH6 AB This work is aimed at utilizing a new synthetic technique to form novel complex hydrides for hydrogen storage. This technique is based on fusing different complex hydrides at elevated temperatures and pressures to form new species with improved hydrogen storage properties. Under conditions of elevated hydrogen overpressures and temperatures the starting materials can reach melting or near-melting point without decomposing (molten state processing), allowing for enhanced diffusion and exchange of elements among the starting materials. The formation and stabilization of these compounds, using the molten state process, is driven by the thermodynamic and kinetic properties of the starting and resulting compounds. Complex hydrides (e.g. NaK2AlH6, Mg(AlH4)(2)) Were formed, structurally characterized and their hydrogen desorption properties were tested. In this paper we report on investigations of the thermodynamic aspects governing the process and products. We also report on the role of molar ratio in determining the final products. The effectiveness of the molten state process is compared with chemomechanical synthetic methods (ball milling). (C) 2007 Elsevier B.V. All rights reserved. C1 [Stowe, Ashley C.; Berseth, Polly A.; Farrell, Thomas P.; Laughlin, Laura; Anton, Donald; Zidan, Ragaiy] Savannah River Natl Lab, Energy Secur Directorate, Aiken, SC 29808 USA. RP Zidan, R (reprint author), Savannah River Natl Lab, Energy Secur Directorate, Bldg 999-2W, Aiken, SC 29808 USA. EM Ragaiy.Zidan@sml.doe.gov FU U.S. Department of Energy Office of Basic Energy Science FX The authors Would like to thank Dr. Arthur Jurgensen, Ms. Jennifer Pittman, and Mr. Martin Scott for their contributions to this work. This work was funded through a grant from the U.S. Department of Energy Office of Basic Energy Science. NR 43 TC 3 Z9 3 U1 1 U2 11 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 OCT 6 PY 2008 VL 465 IS 1-2 BP 41 EP 46 DI 10.1016/j.jallcom.2007.10.103 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 359IN UT WOS:000259980000011 ER PT J AU Cao, H Bai, FM Li, JF Viehland, DD Lograsso, TA Gehring, PM AF Cao, Hu Bai, Feiming Li, Jiefang Viehland, Dwight D. Lograsso, Thomas A. Gehring, Peter M. TI Structural studies of decomposition in Fe-x at.%Ga alloys SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE Galfenol; Decomposition; X-ray diffraction; Neutron diffraction ID MAGNETOSTRICTION CONSTANTS AB ecomposition in Fe-x at.%Ga alloys subjected to different thermal treatments has been investigated by high-resolution X-ray and neutron diffraction for 12 < x < 25. Quenching suppresses the formation of a D0(3) structure in favor of a high-temperature disordered bcc (A2) structure. By contrast, annealing produces a two-phase mixture of A2 + D0(3) for 14 < x < 20 and a fully D0(3) phase for x = 25. Temperature dependent studies revealed that phase separation occurs below 650 degrees C on cooling for x = 20, where a notable radial line broadening develops. The splitting of the (2 0 0) and (0 0 2) Bragg peaks observed along the respective transverse directions indicates that the samples are composed of multiple crystal grains, slightly tilted with respect to each other. (C) 2007 Elsevier B.V. All rights reserved. C1 [Cao, Hu; Bai, Feiming; Li, Jiefang; Viehland, Dwight D.] Virginia Tech, Dept Mat Sci & Engn, Blacksburg, VA 24061 USA. [Lograsso, Thomas A.] Ames Lab, Ames, IA 50014 USA. [Gehring, Peter M.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. RP Cao, H (reprint author), Virginia Tech, Dept Mat Sci & Engn, 213 Holden Hall, Blacksburg, VA 24061 USA. EM hcao@vt.edu RI Bai, Feiming/K-5762-2013; OI Gehring, Peter/0000-0002-9236-2046 FU Office of Naval Research [MURI N00014-06-1-0530, N0001406-1-0204]; U.S. Department of Energy [DE-AC02-07CH11358] FX We gratefully acknowledge support from the Office of Naval Research under Grant MURI N00014-06-1-0530, and N0001406-1-0204. One of the authors (TAL) acknowledges the support of the Office of Basic Energy Sciences, Materials Sciences Division, of the U.S. Department of Energy under contract No. DE-AC02-07CH11358. NR 10 TC 24 Z9 28 U1 0 U2 7 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 OCT 6 PY 2008 VL 465 IS 1-2 BP 244 EP 249 DI 10.1016/j.jallcom.2007.10.080 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 359IN UT WOS:000259980000044 ER PT J AU McKone, T AF McKone, Thomas TI Quantitative uncertainty analysis: Some informative case studies SO TOXICOLOGY LETTERS LA English DT Meeting Abstract CT 45th Congress of the European-Societies-of-Toxicology CY OCT 05-08, 2008 CL Rhodes, GREECE SP European Soc Toxicol C1 [McKone, Thomas] Lawrence Berkeley Natl Lab, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0378-4274 J9 TOXICOL LETT JI Toxicol. Lett. PD OCT 5 PY 2008 VL 180 SU 1 BP S4 EP S4 DI 10.1016/j.toxlet.2008.06.019 PG 1 WC Toxicology SC Toxicology GA 349AV UT WOS:000259252100014 ER PT J AU Novakov, T Kirchstetter, TW Menon, S Aguiar, J AF Novakov, T. Kirchstetter, T. W. Menon, S. Aguiar, J. TI Response of California temperature to regional anthropogenic aerosol changes SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID CARBON CONCENTRATIONS; SOLAR-RADIATION; SURFACE; CLIMATE AB In this paper, we compare constructed records of concentrations of black carbon (BC) - an indicator of anthropogenic aerosols - with observed surface temperature trends in California. Annual average BC concentrations in major air basins in California significantly decreased after about 1990, coincident with an observed statewide surface temperature increase. Seasonal aerosol concentration trends are consistent with observed seasonal temperature trends. These data suggest that the reduction in anthropogenic aerosol concentrations contributed to the observed surface temperature increase. Conversely, high aerosol concentrations may lower surface temperature and partially offset the temperature increase of greenhouse gases. C1 [Novakov, T.; Kirchstetter, T. W.; Menon, S.; Aguiar, J.] Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Novakov, T (reprint author), Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM tnovakov@1b1.gov OI Aguiar, Jeffery/0000-0001-6101-4762 FU Director, Office of Science, Office of Biological and Environmental Research, U.S. Department of Energy FX Work was supported by Director, Office of Science, Office of Biological and Environmental Research, U.S. Department of Energy. NR 15 TC 4 Z9 4 U1 0 U2 1 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD OCT 4 PY 2008 VL 35 IS 19 AR L19808 DI 10.1029/2008GL034894 PG 4 WC Geosciences, Multidisciplinary SC Geology GA 356UO UT WOS:000259803300005 ER PT J AU Williams, RS Moncalian, G Williams, JS Yamada, Y Limbo, O Shin, DS Groocock, LM Cahill, D Hitomi, C Guenther, G Moiani, D Carney, JP Russell, P Tainer, JA AF Williams, R. Scott Moncalian, Gabriel Williams, Jessica S. Yamada, Yoshiki Limbo, Oliver Shin, David S. Groocock, Lynda M. Cahill, Dana Hitomi, Chiharu Guenther, Grant Moiani, Davide Carney, James P. Russell, Paul Tainer, John A. TI Mre11 dimers coordinate DNA end bridging and nuclease processing in double-strand-break repair SO CELL LA English DT Article ID TELANGIECTASIA-LIKE DISORDER; SACCHAROMYCES-CEREVISIAE MRE11; STRUCTURAL BASIS; DAMAGE RESPONSE; PROTEIN COMPLEX; ATM ACTIVATION; REPLICATION; RECOMBINATION; BINDING; RAD50 AB Mre11 forms the core of the multifunctional Mre11-Rad50-Nbs1 (MRN) complex that detects DNA double-strand breaks (DSBs), activates the ATM checkpoint kinase, and initiates homologous recombination (HR) repair of DSBs. To define the roles of Mre11 in both DNA bridging and nucleolytic processing during initiation of DSB repair, we combined small-angle X-ray scattering (SAXS) and crystal structures of Pyrococcus furiosus Mre11 dimers bound to DNA with mutational analyses of fission yeast Mre11. The Mre11 dimer adopts a four-lobed U-shaped structure that is critical for proper MRN complex assembly and for binding and aligning DNA ends. Further, mutations blocking Mre11 endonuclease activity impair cell survival after DSB induction without compromising MRN complex assembly or Mre11-dependant recruitment of Ctp1, an HR factor, to DSBs. These results show how Mre11 dimerization and nuclease activities initiate repair of DSBs and collapsed replication forks, as well as provide a molecular foundation for understanding cancer-causing Mre11 mutations in ataxia telangiectasia-like disorder (ATLD). C1 [Williams, R. Scott; Moncalian, Gabriel; Williams, Jessica S.; Yamada, Yoshiki; Limbo, Oliver; Shin, David S.; Groocock, Lynda M.; Hitomi, Chiharu; Guenther, Grant; Moiani, Davide; Russell, Paul; Tainer, John A.] Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA. [Russell, Paul] Scripps Res Inst, Dept Cell Biol, La Jolla, CA 92037 USA. [Williams, R. Scott; Moncalian, Gabriel; Shin, David S.; Hitomi, Chiharu; Moiani, Davide; Tainer, John A.] Scripps Res Inst, Skaggs Inst Chem Biol, La Jolla, CA 92037 USA. [Cahill, Dana; Carney, James P.] Univ Maryland, Sch Med, Radiat Oncol Res Lab, Dept Radiat Oncol, Baltimore, MD 21201 USA. [Tainer, John A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Dept Mol Biol, Berkeley, CA 94720 USA. RP Russell, P (reprint author), Scripps Res Inst, Dept Mol Biol, 10550 N Torrey Pines Rd,MB4, La Jolla, CA 92037 USA. EM prussell@scripps.edu; jat@scripps.edu RI Moncalian, Gabriel/K-3493-2014; Williams, Robert/A-6059-2015 OI Moncalian, Gabriel/0000-0002-3007-6490; FU Canadian Institutes of Health Research; Alberta Heritage Foundation for Medical Research; Skaggs Institute for Chemical Biology; Uehara Memorial Foundation; National Cancer Institute [CA117638, CA92584, CA77325]; U.S. Department of Energy programs IDAT; MAGGIE [DE-AC02-05CH11231] FX R.S.W. is supported by the Canadian Institutes of Health Research, the Alberta Heritage Foundation for Medical Research, and the Skaggs Institute for Chemical Biology fellowships. Y.Y. is supported by a Uehara Memorial Foundation fellowship. Work on the Mre11 complex in the authors' laboratories is supported in part by National Cancer Institute grants CA117638, CA92584, and CA77325. Lawrence Berkeley National Laboratory efforts are supported in part by U.S. Department of Energy programs IDAT (for Integrating crystallography and X-ray scattering) and MAGGIE (for defining Pyrococus complexes) under contract number DE-AC02-05CH11231. We thank Scott Classen, Michal Hammel, Greg Hura, and Susan Tsutakawa for assistance with SAXS and X-ray data collection at the Advanced Light Source SIBYLS beamline and Brian Chapados for discussions and comments. NR 41 TC 254 Z9 257 U1 3 U2 21 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0092-8674 J9 CELL JI Cell PD OCT 3 PY 2008 VL 135 IS 1 BP 97 EP 109 DI 10.1016/j.cell.2008.08.017 PG 13 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 355SH UT WOS:000259728100012 PM 18854158 ER PT J AU Sinitsyn, NA Saxena, A AF Sinitsyn, N. A. Saxena, Avadh TI Geometric phase for non-Hermitian Hamiltonian evolution as anholonomy of a parallel transport along a curve SO JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL LA English DT Article ID LOW REYNOLDS-NUMBER; POLARIZATION OPTICS; DISSIPATIVE SYSTEMS; WIGNER ROTATIONS; SELF-PROPULSION; BERRY PHASES; SPACE CURVE; INVARIANTS; HOLONOMY; SHIFTS AB We develop an interpretation of the geometric phase in evolution with a non-Hermitian real-valued Hamiltonian by relating it to the angle developed during the parallel transport along a closed curve by a unit vector triad in the 3D Minkovsky space. We also show that this geometric phase is responsible for the anholonomy effects in stochastic processes considered by Sinitsyn and Nemenman (2007 Europhys. Lett. 77 58001), and use it to derive the stochastic system response to periodic parameter variations. C1 [Sinitsyn, N. A.] Los Alamos Natl Lab, Ctr Nonlinear Studies & Comp, Computat & Stat Sci Div, Los Alamos, NM 87545 USA. [Saxena, Avadh] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Sinitsyn, NA (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies & Comp, Computat & Stat Sci Div, POB 1663, Los Alamos, NM 87545 USA. RI Sinitsyn, nikolai/B-5617-2009 FU DOE [DE-AC52-06NA25396] FX This work was funded in part by DOE under contract no. DE-AC52-06NA25396. NR 39 TC 6 Z9 6 U1 2 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1751-8113 J9 J PHYS A-MATH THEOR JI J. Phys. A-Math. Theor. PD OCT 3 PY 2008 VL 41 IS 39 AR 392002 DI 10.1088/1751-8113/41/39/392002 PG 8 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA 347PP UT WOS:000259153800002 ER PT J AU Frisch, U Kurien, S Pandit, R Pauls, W Ray, SS Wirth, A Zhu, JZ AF Frisch, Uriel Kurien, Susan Pandit, Rahul Pauls, Walter Ray, Samriddhi Sankar Wirth, Achim Zhu, Jian-Zhou TI Hyperviscosity, galerkin truncation, and bottlenecks in turbulence SO PHYSICAL REVIEW LETTERS LA English DT Article ID HIGH REYNOLDS-NUMBER; FLUID TURBULENCE; APPROXIMATIONS; INTERMITTENCY AB It is shown that the use of a high power alpha of the Laplacian in the dissipative term of hydrodynamical equations leads asymptotically to truncated inviscid conservative dynamics with a finite range of spatial Fourier modes. Those at large wave numbers thermalize, whereas modes at small wave numbers obey ordinary viscous dynamics [C. Cichowlas et al., Phys. Rev. Lett. 95, 264502 (2005)]. The energy bottleneck observed for finite alpha may be interpreted as incomplete thermalization. Artifacts arising from models with alpha > 1 are discussed. C1 [Frisch, Uriel] CNRS, UNS, OCA, Lab Cassiopee, F-06304 Nice 4, France. [Kurien, Susan; Zhu, Jian-Zhou] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Kurien, Susan; Zhu, Jian-Zhou] Los Alamos Natl Lab, CNLS, Los Alamos, NM 87545 USA. [Pandit, Rahul; Ray, Samriddhi Sankar] Indian Inst Sci, Dept Phys, Ctr Condensed Matter Theory, Bangalore 560012, Karnataka, India. [Pauls, Walter] Max Planck Inst Dynam & Self Org, Gottingen, Germany. [Wirth, Achim] CNRS, LEGI, Grenoble, France. RP Frisch, U (reprint author), CNRS, UNS, OCA, Lab Cassiopee, BP 4229, F-06304 Nice 4, France. FU ANR "OTARIE'' [BLAN07-2_183172]; DST; JNCASR; UGC (India); SERC (IISc); International Collaboration for Turbulence Research (ICTR) FX We thank J. Bec, R. Benzi, M. E. Brachet, W. Bos, J. R. Herring, D. Mitra, K. Khanin, A. Majda, S. Nazarenko, D. Schertzer, E. S. Titi, and V. Yakhot for useful discussions. J. Z. Z. acknowledges many interactions at CNLS. U. F. and W. P. were partially supported by ANR "OTARIE'' BLAN07-2_183172. R. P. and S. S. R. thank DST, JNCASR, and UGC (India) for support and SERC (IISc) for computational resources. U. F., R. P., and W. P. are part of the International Collaboration for Turbulence Research (ICTR). S. K. and J. Z. Z. were funded by the Center for Nonlinear Studies LDRD program and the DOE Office of Science Advanced Scientific Computing Research (ASCR) Program in Applied Mathematics Research. NR 34 TC 63 Z9 63 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 OCT 3 PY 2008 VL 101 IS 14 AR 144501 DI 10.1103/PhysRevLett.101.144501 PG 4 WC Physics, Multidisciplinary SC Physics GA 356QX UT WOS:000259793800029 PM 18851534 ER PT J AU Helander, P Simakov, AN AF Helander, P. Simakov, A. N. TI Intrinsic ambipolarity and rotation in stellarators SO PHYSICAL REVIEW LETTERS LA English DT Article ID CONFINEMENT SYSTEMS; TRANSPORT; PLASMA AB It is shown that collisional plasma transport is intrinsically ambipolar only in quasiaxisymmetric or quasihelically symmetric magnetic configurations. Only in such fields can the plasma rotate freely, and then only in the direction of quasisymmetry. In a non-quasi-symmetric magnetic field, the average radial electric field is determined by parallel viscosity, which in turn is usually governed by collisional processes. Locally, the radial electric field may be affected by turbulent Reynolds stress producing zonal flows, but on a radial average taken over several ion gyroradii, it is determined by parallel viscosity, at least if the turbulence is electrostatic and obeys the conventional gyrokinetic orderings. This differs from the situation in a tokamak, where there is no flow damping by parallel viscosity in the symmetry direction and the turbulent Reynolds stress may affect the global radial electric field. C1 [Helander, P.] Max Planck Inst Plasma Phys, D-17491 Greifswald, Germany. [Simakov, A. N.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Helander, P (reprint author), Max Planck Inst Plasma Phys, D-17491 Greifswald, Germany. OI Simakov, Andrei/0000-0001-7064-9153 NR 16 TC 41 Z9 41 U1 0 U2 4 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 OCT 3 PY 2008 VL 101 IS 14 AR 145003 DI 10.1103/PhysRevLett.101.145003 PG 4 WC Physics, Multidisciplinary SC Physics GA 356QX UT WOS:000259793800033 PM 18851538 ER PT J AU Howes, GG Cowley, SC Dorland, W Hammett, GW Quataert, E Schekochihin, AA Tatsuno, T AF Howes, G. G. Cowley, S. C. Dorland, W. Hammett, G. W. Quataert, E. Schekochihin, A. A. Tatsuno, T. TI Comment on "Kinetic Simulations of Magnetized Turbulence in Astrophysical Plasmas'' - Reply SO PHYSICAL REVIEW LETTERS LA English DT Editorial Material ID ALFVEN-WAVE; SPECTRUM C1 [Howes, G. G.] Univ Iowa, Iowa City, IA 52242 USA. [Cowley, S. C.] Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. [Dorland, W.; Tatsuno, T.] Univ Maryland, College Pk, MD 20742 USA. [Hammett, G. W.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Schekochihin, A. A.] Univ London Imperial Coll Sci Technol & Med, London SW7 2AZ, England. RP Howes, GG (reprint author), Univ Iowa, Iowa City, IA 52242 USA. RI Schekochihin, Alexander/C-2399-2009; Tatsuno, Tomo/A-3467-2011; Hammett, Gregory/D-1365-2011; Dorland, William/B-4403-2009 OI Hammett, Gregory/0000-0003-1495-6647; Dorland, William/0000-0003-2915-724X NR 12 TC 14 Z9 14 U1 0 U2 5 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 OCT 3 PY 2008 VL 101 IS 14 AR 149502 DI 10.1103/PhysRevLett.101.149502 PG 1 WC Physics, Multidisciplinary SC Physics GA 356QX UT WOS:000259793800082 ER PT J AU Kondo, T Santander-Syro, AF Copie, O Liu, C Tillman, ME Mun, ED Schmalian, J Bud'ko, SL Tanatar, MA Canfield, PC Kaminski, A AF Kondo, Takeshi Santander-Syro, A. F. Copie, O. Liu, Chang Tillman, M. E. Mun, E. D. Schmalian, J. Bud'ko, S. L. Tanatar, M. A. Canfield, P. C. Kaminski, A. TI Momentum dependence of the superconducting gap in NdFeAsO0.9F0.1 single crystals measured by angle resolved photoemission spectroscopy SO PHYSICAL REVIEW LETTERS LA English DT Article ID FERMI-SURFACE; LAO1-XFXFEAS AB We use angle resolved photoemission spectroscopy to study the momentum dependence of the superconducting gap in NdFeAsO0.9F0.1 single crystals. We find that the Gamma hole pocket is fully gapped below the superconducting transition temperature. The value of the superconducting gap is 15 +/- 1: 5 meV and its anisotropy around the hole pocket is smaller than 20% of this value -consistent with an isotropic or anisotropic s-wave symmetry of the order parameter. This is a significant departure from the situation in the cuprates, pointing to the possibility that the superconductivity in the iron arsenic based system arises from a different mechanism. C1 [Kondo, Takeshi; Liu, Chang; Tillman, M. E.; Mun, E. D.; Schmalian, J.; Bud'ko, S. L.; Tanatar, M. A.; Canfield, P. C.; Kaminski, A.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Kondo, Takeshi; Liu, Chang; Tillman, M. E.; Mun, E. D.; Schmalian, J.; Bud'ko, S. L.; Tanatar, M. A.; Canfield, P. C.; Kaminski, A.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Santander-Syro, A. F.] ESPCI, CNRS, UPR 5, Lab Photons & Mat, F-75231 Paris, France. [Santander-Syro, A. F.] Ctr Univ Paris Sud, Phys Solides Lab, UMR 8502, CNRS, F-91405 Orsay, France. [Copie, O.] CNRS Thales, Unite Mixte Phys, F-91767 Palaiseau, France. RP Kondo, T (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RI Schmalian, Joerg/H-2313-2011; Santander-Syro, Andres/D-7017-2012; Canfield, Paul/H-2698-2014; Copie, Olivier/N-1398-2014; Kondo, Takeshi/H-2680-2016 OI Santander-Syro, Andres/0000-0003-3966-2485; Copie, Olivier/0000-0002-4261-433X; FU Department of Energy-Basic Energy Sciences [DE-AC02-07CH11358]; NSF DMR [9212658]; LPEM FX We acknowledge useful discussions with R. Prozorov. We thank Helen Fretwell for useful remarks and corrections. Work at Ames Laboratory was supported by the Department of Energy- Basic Energy Sciences under Contract No. DE-AC02-07CH11358. The Synchrotron Radiation Center is supported by NSF DMR 9212658. A. F. S. S. thanks LPEM for financial support. NR 41 TC 210 Z9 212 U1 2 U2 18 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 OCT 3 PY 2008 VL 101 IS 14 AR 147003 DI 10.1103/PhysRevLett.101.147003 PG 4 WC Physics, Multidisciplinary SC Physics GA 356QX UT WOS:000259793800056 PM 18851561 ER PT J AU Peng, HS Chen, DY Huang, JY Chikkannanavar, SB Hanisch, J Jain, M Peterson, DE Doorn, SK Lu, YF Zhu, YT Jia, QX AF Peng, Huisheng Chen, Daoyong Huang, Jian-Yu Chikkannanavar, S. B. Haenisch, J. Jain, Menka Peterson, D. E. Doorn, S. K. Lu, Yunfeng Zhu, Y. T. Jia, Q. X. TI Strong and ductile colossal carbon tubes with walls of rectangular macropores SO PHYSICAL REVIEW LETTERS LA English DT Article ID HEXA-PERI-HEXABENZOCORONENE; NANOTUBE FIBERS; ARRAYS; GROWTH; FILMS AB We report a new type of carbon material - porous colossal carbon tubes. Compared with carbon nanotubes, colossal carbon tubes have a much bigger size, with a diameter of between 40 and 100 mu m and a length in the range of centimeters. Significantly, the walls of the colossal tubes are composed of macroscopic rectangular columnar pores and exhibit an ultralow density comparable to that of carbon nanofoams. The porous walls of colossal tubes also show a highly ordered lamellar structure similar to that of graphite. Furthermore, colossal tubes possess excellent mechanical and electrical properties. C1 [Peng, Huisheng] Tongji Univ, Inst Adv Mat & Nano Biomed, Shanghai 200092, Peoples R China. [Peng, Huisheng; Chikkannanavar, S. B.; Haenisch, J.; Jain, Menka; Peterson, D. E.; Doorn, S. K.; Jia, Q. X.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Chen, Daoyong] Fudan Univ, Dept Macromol Sci, Shanghai 200433, Peoples R China. [Huang, Jian-Yu] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. [Lu, Yunfeng] Univ Calif Los Angeles, Dept Chem & Biomol Engn, Los Angeles, CA 90095 USA. [Zhu, Y. T.] N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. RP Peng, HS (reprint author), Tongji Univ, Inst Adv Mat & Nano Biomed, Shanghai 200092, Peoples R China. EM penghs2004@yahoo.com RI Zhu, Yuntian/B-3021-2008; Jia, Q. X./C-5194-2008; Hanisch, Jens/D-8503-2011; Huang, Jianyu/C-5183-2008; Peng, Huisheng/G-8867-2011; OI Zhu, Yuntian/0000-0002-5961-7422; Jain, Menka/0000-0002-2264-6895 FU United States Department of Energy [DE-AC04-94AL85000]; Center for Integrated Nanotechnologies; Office of Basic Energy Sciences; Sandia National Laboratories FX This work was partially supported as a Los Alamos National Laboratory Directed Research and Development Project under the United States Department of Energy. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U. S. Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the U. S. Department of Energy under Contract No. DE-AC04-94AL85000. NR 26 TC 13 Z9 13 U1 1 U2 27 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 3 PY 2008 VL 101 IS 14 AR 145501 DI 10.1103/PhysRevLett.101.145501 PG 4 WC Physics, Multidisciplinary SC Physics GA 356QX UT WOS:000259793800034 PM 18851539 ER PT J AU Santos, TS Moodera, JS Raman, KV Negusse, E Holroyd, J Dvorak, J Liberati, M Idzerda, YU Arenholz, E AF Santos, T. S. Moodera, J. S. Raman, K. V. Negusse, E. Holroyd, J. Dvorak, J. Liberati, M. Idzerda, Y. U. Arenholz, E. TI Determining exchange splitting in a magnetic semiconductor by spin-filter tunneling SO PHYSICAL REVIEW LETTERS LA English DT Article ID CIRCULAR-DICHROISM; JUNCTIONS; BARRIERS; MAGNETORESISTANCE; POLARIZATION; ABSORPTION; SPECTRA; FIELD; ZERO; EUO AB A large exchange splitting of the conduction band in ultrathin films of the ferromagnetic semiconductor EuO was determined quantitatively, by using EuO as a tunnel barrier and fitting the current-voltage characteristics and temperature dependence to tunneling theory. This exchange splitting leads to different tunnel barrier heights for spin-up and spin-down electrons and is large enough to produce a near-fully spin-polarized current. Moreover, the magnetic properties of these ultrathin films (< 6 nm) show a reduction in Curie temperature with decreasing thickness, in agreement with theoretical calculation. C1 [Santos, T. S.; Moodera, J. S.; Raman, K. V.] MIT, Francis Bitter Natl Magnet Lab, Cambridge, MA 02139 USA. [Negusse, E.; Holroyd, J.; Dvorak, J.; Liberati, M.; Idzerda, Y. U.] Montana State Univ, Dept Phys, Bozeman, MT 59717 USA. [Arenholz, E.] Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Santos, TS (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. FU NSF [DMR-0210915]; ONR; ONR [N00014-03-1-0692]; DOE [DE-AC06-76RL01830]; U. S. Department of Energy [DE-AC02-05CH11231] FX This work at MIT was funded by NSF and ONR grants and by the KIST-MIT program. E. N., J. H., J. D., M. L., and Y. I. were supported by the ONR Grant No. N00014-03-1-0692, by the DOE under No. DE-AC06-76RL01830, and by NSF under No. DMR-0210915. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U. S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 25 TC 89 Z9 89 U1 0 U2 12 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 OCT 3 PY 2008 VL 101 IS 14 AR 147201 DI 10.1103/PhysRevLett.101.147201 PG 4 WC Physics, Multidisciplinary SC Physics GA 356QX UT WOS:000259793800059 PM 18851564 ER PT J AU Robertson, GP Dale, VH Doering, OC Hamburg, SP Melillo, JM Wander, MM Parton, WJ Adler, PR Barney, JN Cruse, RM Duke, CS Fearnside, PM Follett, RF Gibbs, HK Goldemberg, J Mladenoff, DJ Ojima, D Palmer, MW Sharpley, A Wallace, L Weathers, KC Wiens, JA Wilhelm, WW AF Robertson, G. Philip Dale, Virginia H. Doering, Otto C. Hamburg, Steven P. Melillo, Jerry M. Wander, Michele M. Parton, William J. Adler, Paul R. Barney, Jacob N. Cruse, Richard M. Duke, Clifford S. Fearnside, Philip M. Follett, Ronald F. Gibbs, Holly K. Goldemberg, Jose Mladenoff, David J. Ojima, Dennis Palmer, Michael W. Sharpley, Andrew Wallace, Linda Weathers, Kathleen C. Wiens, John A. Wilhelm, Wallace W. TI Agriculture - Sustainable biofuels Redux SO SCIENCE LA English DT Editorial Material ID CORN STOVER; LAND; BIOMASS; CARBON C1 [Robertson, G. Philip] Michigan State Univ, Kellogg Biol Stn, Hickory Corners, MI 49060 USA. [Robertson, G. Philip] Michigan State Univ, Dept Crop & Soil Sci, Hickory Corners, MI 49060 USA. [Dale, Virginia H.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Doering, Otto C.] Purdue Univ, Dept Agr Econ, W Lafayette, IN 47907 USA. [Hamburg, Steven P.] Brown Univ, Ctr Environm Studies, Providence, RI 02906 USA. [Hamburg, Steven P.] Environm Def Fund, Boston, MA 01028 USA. [Melillo, Jerry M.] Marine Biol Lab, Ctr Ecosyst, Woods Hole, MA 02543 USA. [Wander, Michele M.] Univ Illinois, Urbana, IL 61801 USA. [Parton, William J.] Colorado State Univ, Nat Resource Ecol Lab, Ft Collins, CO 80523 USA. [Adler, Paul R.] USDA ARS, Pasture Syst & Watershed Management Res Unit, University Pk, PA 16802 USA. [Barney, Jacob N.] Univ Calif Davis, Dept Plant Sci, Davis, CA 95616 USA. [Cruse, Richard M.] Iowa State Univ, Dept Agron, Ames, IA 50011 USA. [Duke, Clifford S.] Ecol Soc Amer, Washington, DC 20036 USA. [Fearnside, Philip M.] Natl Inst Res Amazon INPA, BR-69011970 Manaus, Amazonas, Brazil. [Follett, Ronald F.] USDA ARS, Ft Collins, CO 80526 USA. [Gibbs, Holly K.] Univ Wisconsin, Ctr Sustainabil & Global Environm SAGE, Nelson Inst Environm Studies, Madison, WI 53726 USA. [Goldemberg, Jose] Univ Sao Paulo, Inst Eletrotecn & Energia, Sao Paulo, Brazil. [Mladenoff, David J.] Univ Wisconsin, Dept Forest & Wildlife Ecol, Madison, WI 53706 USA. [Ojima, Dennis] H John Heinz Ctr Sci Econ & Environm, Washington, DC 20006 USA. [Palmer, Michael W.] Oklahoma State Univ, Dept Bot, Stillwater, OK 74078 USA. [Sharpley, Andrew] Univ Arkansas, Dept Crop Soil & Environm Sci, Fayetteville, AR 72701 USA. [Wallace, Linda] Univ Oklahoma, Dept Bot & Microbiol, Norman, OK 73019 USA. [Weathers, Kathleen C.] Cary Inst Ecosyst Studies, Millbrook, NY 12545 USA. [Wiens, John A.] PRBO Conservat Sci, Petaluma, CA 94954 USA. [Wilhelm, Wallace W.] Univ Nebraska, USDA ARS, Lincoln, NE 68583 USA. RP Robertson, GP (reprint author), Michigan State Univ, Kellogg Biol Stn, Hickory Corners, MI 49060 USA. EM robertson@kbs.msu.edu RI Palmer, Michael/A-2519-2008; Dale, Virginia/B-6023-2009; Fearnside, Philip/D-6559-2011; Barney, Jacob/C-2412-2008; Ojima, Dennis/C-5272-2016; Robertson, G/H-3885-2011 OI Fearnside, Philip/0000-0003-3672-9082; Barney, Jacob/0000-0003-2949-5003; Robertson, G/0000-0001-9771-9895 NR 10 TC 207 Z9 214 U1 9 U2 100 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 OCT 3 PY 2008 VL 322 IS 5898 BP 49 EP 50 DI 10.1126/science.1161525 PG 2 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 355AE UT WOS:000259680200028 PM 18832631 ER PT J AU Kritcher, AL Neumayer, P Castor, J Doppner, T Falcone, RW Landen, OL Lee, HJ Lee, RW Morse, EC Ng, A Pollaine, S Price, D Glenzer, SH AF Kritcher, Andrea L. Neumayer, Paul Castor, John Doppner, Tilo Falcone, Roger W. Landen, Otto L. Lee, Hae Ja Lee, Richard W. Morse, Edward C. Ng, Andrew Pollaine, Steve Price, Dwight Glenzer, Siegfried H. TI Ultrafast x-ray Thomson scattering of shock-compressed matter SO SCIENCE LA English DT Article ID NATIONAL-IGNITION-FACILITY; EQUATION-OF-STATE; TEMPERATURE; DEUTERIUM; LASER AB Spectrally resolved scattering of ultrafast K-alpha x- rays has provided experimental validation of the modeling of the compression and heating of shocked matter. The elastic scattering component has characterized the evolution and coalescence of two shocks launched by a nanosecond laser pulse into lithium hydride with an unprecedented temporal resolution of 10 picoseconds. At shock coalescence, we observed rapid heating to temperatures of 25,000 kelvin when the scattering spectra show the collective plasmon oscillations that indicate the transition to the dense metallic plasma state. The plasmon frequency determines the material compression, which is found to be a factor of 3, thereby reaching conditions in the laboratory relevant for studying the physics of planetary formation. C1 [Kritcher, Andrea L.; Morse, Edward C.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94709 USA. [Kritcher, Andrea L.; Neumayer, Paul; Castor, John; Doppner, Tilo; Landen, Otto L.; Lee, Richard W.; Ng, Andrew; Pollaine, Steve; Price, Dwight; Glenzer, Siegfried H.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Falcone, Roger W.; Lee, Hae Ja; Lee, Richard W.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94709 USA. RP Kritcher, AL (reprint author), Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94709 USA. EM kritcher@berkeley.edu FU DOE grant; NA-16 Intermediate Facility Initiative [08-ERI-002, grant 08-LW-004]; Lawrence Scholar Program fellowship FX This work was performed under the auspices of the U. S. Department of Energy ( DOE) by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. This work was further supported by a DOE grant, the NA-16 Intermediate Facility Initiative, grant 08-ERI-002, grant 08-LW-004, and the Lawrence Scholar Program fellowship. NR 26 TC 131 Z9 133 U1 5 U2 29 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 OCT 3 PY 2008 VL 322 IS 5898 BP 69 EP 71 DI 10.1126/science.1161466 PG 3 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 355AE UT WOS:000259680200037 PM 18832640 ER PT J AU Loui, A Goericke, FT Ratto, TV Lee, J Hart, BR King, WP AF Loui, A. Goericke, F. T. Ratto, T. V. Lee, J. Hart, B. R. King, W. P. TI The effect of piezoresistive microcantilever geometry on cantilever sensitivity during surface stress chemical sensing SO SENSORS AND ACTUATORS A-PHYSICAL LA English DT Article DE cantilever sensor; piezoresistor; atomic force microscopy; chemical sensing; surface stress ID READ-OUT; SENSORS; ARRAY; DESIGN; GAS AB We have designed, fabricated, and tested five piezoresistive cantilever configurations to investigate the effect of shape and piezoresistor placement on the sensitivity of microcantilevers under both point loading and surface stress loading. The experimental study reveals that: (1) high aspect ratio cantilevers that are much longer than they are wide are optimal for point-loading applications such as microscopy and force measurements; (2) low aspect ratio cantilevers that are short and wide are optimal for surface stress-loading scenarios such as those that occur in biological and chemical sensor applications. The sensitivity data for both point loads and surface stress are consistent with previously developed finite-element models. (C) 2008 Elsevier B.V. All rights reserved. C1 [Goericke, F. T.; Lee, J.; King, W. P.] Univ Illinois, Dept Mech Sci & Engn, Urbana, IL 61822 USA. [Loui, A.; Ratto, T. V.; Hart, B. R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP King, WP (reprint author), Univ Illinois, Dept Mech Sci & Engn, Urbana, IL 61822 USA. EM wpk@uiuc.edu OI Lee, Jungchul/0000-0001-7880-8657 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [AC52-07NA27344] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. We thank D. Sirbuly and M. Stadermann for laboratory assistance. NR 23 TC 36 Z9 37 U1 0 U2 7 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0924-4247 J9 SENSOR ACTUAT A-PHYS JI Sens. Actuator A-Phys. PD OCT 3 PY 2008 VL 147 IS 2 BP 516 EP 521 DI 10.1016/j.sna.2008.06.016 PG 6 WC Engineering, Electrical & Electronic; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 355CC UT WOS:000259685600025 ER PT J AU Alsem, DH Boyce, BL Stach, EA Ritchie, RO AF Alsem, D. H. Boyce, B. L. Stach, E. A. Ritchie, R. O. TI Effect of post-release sidewall morphology on the fracture and fatigue properties of polycrystalline silicon structural films SO SENSORS AND ACTUATORS A-PHYSICAL LA English DT Article DE polysilicon; silicon oxide; fracture; fatigue; thin films; MEMS ID SINGLE-CRYSTAL SILICON; HIGH-CYCLE FATIGUE; MICROELECTROMECHANICAL SYSTEMS; CRACK-GROWTH; AMBIENT AIR; THIN-FILMS; POLYSILICON; STRENGTH; MEMS; SURFACE AB Surface properties can markedly affect the mechanical behavior of structural thin films used in microelectromechanical systems (MEMS) applications. This study highlights the striking difference in the sidewall surface morphology of n(+)-type polysilicon films from two popular MEMS processes and its effect on fracture and fatigue properties. The sidewall surface roughness was measured using atomic force microscopy, whereas silicon oxide thickness and grain size were measured using (energy-filtered) transmission electron microscopy. These measurements show that the oxide layers are not always thin native oxides, as often assumed; moreover, the roughness of the silicon/silicon oxide interface is significantly influenced by the oxidation mechanism. Thick silicon oxides (20 +/- 5 nm) found in PolyMUMPs (TM) films are caused by galvanic corrosion from the presence of gold on the chip, whereas in SUMMiT V (TM) films a much thinner (3.5 +/- 1.0nm) native oxidewas observed. The thicker oxide layers, in combination with differences in sidewall roughness (14 +/- 5 nm for PolyMUMPs (TM) and 10 +/- 2 nm for SUMMiTV (TM)), can have a significant effect on the reliability of polysilicon structures subjecting to bending loads; this is shown by measurements of the fracture strength(3.8 +/- 0.3 GPa for PolyMUMPs (TM) and 4.8 +/- 0.2 GPa for SUMMiT V (TM)) and differences in the stress-lifetime cyclic fatigue behavior. Published by Elsevier B.V. C1 [Ritchie, R. O.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Alsem, D. H.; Ritchie, R. O.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Alsem, D. H.] Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Boyce, B. L.] Sandia Natl Labs, Ctr Mat Sci & Engn, Albuquerque, NM 87185 USA. [Stach, E. A.] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. [Stach, E. A.] Purdue Univ, Birck Nanotechnol Ctr, W Lafayette, IN 47907 USA. RP Ritchie, RO (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, 216 Hearst Mem Min Bldg, Berkeley, CA 94720 USA. EM RORitchie@lbl.gov RI Stach, Eric/D-8545-2011; Boyce, Brad/H-5045-2012; Ritchie, Robert/A-8066-2008 OI Stach, Eric/0000-0002-3366-2153; Boyce, Brad/0000-0001-5994-1743; Ritchie, Robert/0000-0002-0501-6998 FU Lawrence Berkeley National Laboratory (LBNL) [DE-AC02-05CH11231]; U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was funded by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the U.S. Department of Energy under Contract no. DE-AC02-05CH11231 at the Lawrence Berkeley National Laboratory (LBNL). The authors acknowledge Drs. S. Timpe, K. Komvopoulos and M.T. Dugger for supplying devices for additional characterization, the use of the Molecular Foundry, specifically the assistance of Drs. RD. Ashby and D.F. Ogletree with the AFM training, and the staff and facilities at the National Center for Electron Microscopy, both operated at LBNL with the support of the U.S. Department of Energy under Contract no. DE-AC02-05CH11231. Support for BLB is also gratefully acknowledged from Sandia National Laboratories ' which is a multi-program laboratory operated by Sandia Corpofor ration, a Lockheed-Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under Contract no. DE-AC04-94AL85000. NR 48 TC 22 Z9 23 U1 0 U2 11 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0924-4247 J9 SENSOR ACTUAT A-PHYS JI Sens. Actuator A-Phys. PD OCT 3 PY 2008 VL 147 IS 2 BP 553 EP 560 DI 10.1016/j.sna.2008.05.027 PG 8 WC Engineering, Electrical & Electronic; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 355CC UT WOS:000259685600030 ER PT J AU Lee, SH Kim, YH Deshpande, R Parilla, PA Whitney, E Gillaspie, DT Jones, KM Mahan, AH Zhang, SB Dillon, AC AF Lee, Se-Hee Kim, Yong-Hyun Deshpande, Rohit Parilla, Philip A. Whitney, Erin Gillaspie, Dane T. Jones, Kim M. Mahan, A. Harv Zhang, Shengbai Dillon, Anne C. TI Reversible Lithium-Ion Insertion in Molybdenum Oxide Nanoparticles SO ADVANCED MATERIALS LA English DT Article ID CATHODE MATERIALS; BATTERIES; TUNGSTEN AB Li-ion battery anodes fabricated from crystalline MoO3 nanoparticles display an anomalous reversible capacity of 630 mAhg(-1) when cycled at high rate. The nanoparticle anodes show no degradation in capacity for 150 cycles, where micron sized MoO3 particles are shown to fail after several cycles. Theoretical calculations elucidate the Li-ion intercalation mechanism and explain the reversible capacity. C1 [Kim, Yong-Hyun; Parilla, Philip A.; Whitney, Erin; Gillaspie, Dane T.; Jones, Kim M.; Mahan, A. Harv; Zhang, Shengbai; Dillon, Anne C.] Natl Renewable Energy Lab, Mat & Computat Sci Ctr, Golden, CO 80401 USA. [Lee, Se-Hee] Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA. [Deshpande, Rohit] Lam Res Corp, Fremont, CA 94536 USA. [Zhang, Shengbai] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. RP Dillon, AC (reprint author), Natl Renewable Energy Lab, Mat & Computat Sci Ctr, 1617 Cole Blvd, Golden, CO 80401 USA. EM anne_dillon@nrel.gov RI Lee, Sehee/A-5989-2011; Kim, Yong-Hyun/C-2045-2011; Krausnick, Jennifer/D-6291-2013; Zhang, Shengbai/D-4885-2013 OI Kim, Yong-Hyun/0000-0003-4255-2068; Zhang, Shengbai/0000-0003-0833-5860 FU U.S. Department of Energy [DE-AC36-99-GO10337]; Development Program; DOE Office of Energy Efficiency and Renewable Energy Office of the Vehicle Technologies Program FX This work was funded by the U.S. Department of Energy under subcontract number DE-AC36-99-GO10337 through: the NREL Laboratory Directed Research and Development Program and the DOE Office of Energy Efficiency and Renewable Energy Office of the Vehicle Technologies Program. Supporting Information is available online from Wiley InterScience or from the authors. NR 16 TC 196 Z9 201 U1 30 U2 204 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0935-9648 J9 ADV MATER JI Adv. Mater. PD OCT 2 PY 2008 VL 20 IS 19 BP 3627 EP + DI 10.1002/adma.200800999 PG 7 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 359YJ UT WOS:000260023900009 ER PT J AU Arachchige, IU Wu, JS Dravid, VP Kanatzidis, MG AF Arachchige, Indika U. Wu, Jinsong Dravid, Vinayak P. Kanatzidis, Mercouri G. TI Nanocrystals of the Quaternary Thermoelectric Materials: AgPbmSbTem+2 (m=1-18): Phase-Segregated or Solid Solutions? SO ADVANCED MATERIALS LA English DT Article ID QUANTUM-DOT SUPERLATTICE; GENERATION; FIGURE; FILMS; MERIT AB Facile synthesis of a series of thermoelectrically relevant AgPbmSbTem+2 (m = 1-18) nanoparticles (see figure) is carried out by using a colloidal synthetic route. As-synthesized nanocrystals are spherical in geometry and adopt a cubic NaCl-type structure. These quaternary nanocrystals behave as solid solutions at room temperature and tend to phase separate into AgSbTe2 and PbTe upon annealing at moderately high temperature. C1 [Arachchige, Indika U.; Kanatzidis, Mercouri G.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Kanatzidis, Mercouri G.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Wu, Jinsong; Dravid, Vinayak P.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. RP Kanatzidis, MG (reprint author), Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. EM m-kanatzidis@northwestern.edu RI Dravid, Vinayak/B-6688-2009 FU Office of Naval Research; NSF-NSEC; NSF-MRSEC; Keck Foundation; State of Illinois FX This work was supported by the Office of Naval Research. The electron microscopy work was performed in the Electron probe instrumentation center (EPIC) facility of NUANCE Center (supported by NSF-NSEC, NSF-MRSEC, Keck Foundation, and the State of Illinois) at Northwestern University. Supporting information is available online from Wiley InterScience or from the author. NR 18 TC 51 Z9 51 U1 4 U2 33 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0935-9648 J9 ADV MATER JI Adv. Mater. PD OCT 2 PY 2008 VL 20 IS 19 BP 3638 EP + DI 10.1002/adma.200801116 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 359YJ UT WOS:000260023900011 ER PT J AU Strapoc, D Mastalerz, M Schimmelmann, A Drobniak, A Hedges, S AF Strapoc, Dariusz Mastalerz, Maria Schimmelmann, Arndt Drobniak, Agnieszka Hedges, Sheila TI Variability of geochemical properties in a microbially dominated coalbed gas system from the eastern margin of the Illinois Basin, USA SO INTERNATIONAL JOURNAL OF COAL GEOLOGY LA English DT Article; Proceedings Paper CT Annual Meeting of the Geological-Society-of-America CY OCT 28-31, 2007 CL Denver, CO SP Geol Soc Amer DE Coalbed gas; Microbial gas; Methanogenesis; Methane; Carbon isotopes; Hydrogen isotopes; Illinois Basin ID PENNSYLVANIAN COALS; CANISTER DESORPTION; METHANE GENERATION; NATURAL-GAS; SAN-JUAN; ORIGIN; CARBON; HYDROGEN; PRODUCIBILITY; ENVIRONMENTS AB This study outlines gas characteristics along the southeastern margins of the Illinois Basin and evaluates regional versus local gas variations in Seelyville and Springfield coal beds. Our findings suggest that high permeability and shallow (100-250 m) depths of these Indiana coals allowed inoculation with methanogenic microbial consortia, thus leading to widespread microbial methane generation along the eastern marginal part of the Illinois Basin. Low maturity coals in the Illinois Basin with a vitrinite reflectance R-o similar to 0.6% contain significant amounts of coal gas (similar to 3 m(3)/t, 96 scf/t) with >= 97 vol.% microbial methane. The amount of coal gas can vary significantly within a coal seam both in a vertical seam section as well as laterally from location to location. Therefore sampling of an entire core section is required for accurate estimates of coal gas reserves. (C) 2008 Elsevier B.V. All rights reserved. C1 [Strapoc, Dariusz; Schimmelmann, Arndt] Indiana Univ, Dept Geol Sci, Bloomington, IN 47405 USA. [Mastalerz, Maria; Drobniak, Agnieszka] Indiana Univ, Indiana Geol Survey, Bloomington, IN 47405 USA. [Hedges, Sheila] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Strapoc, D (reprint author), Conoco Phillips, 600 N Dairy Ashford Rd, Houston, TX 77079 USA. EM dariusz.strapoc@conocophillips.com NR 38 TC 37 Z9 40 U1 2 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0166-5162 J9 INT J COAL GEOL JI Int. J. Coal Geol. PD OCT 2 PY 2008 VL 76 IS 1-2 SI SI BP 98 EP 110 DI 10.1016/j.coal.2008.02.002 PG 13 WC Energy & Fuels; Geosciences, Multidisciplinary SC Energy & Fuels; Geology GA 364SL UT WOS:000260355500010 ER PT J AU Wang, Z Kim, Y Hall, GE Sears, TJ AF Wang, Zhong Kim, Yangsoo Hall, Gregory E. Sears, Trevor J. TI State mixing and predissociation in the (c)over-tilde <-(a)over-tilde band system of singlet methylene studied by optical-optical double resonance SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID POTENTIAL-ENERGY SURFACE; ABSORPTION-SPECTROSCOPY; ELECTRONIC STATES; QUANTUM DYNAMICS; CH2; PHOTOFRAGMENTATION; SPECTRUM; (1)A(1); KETENE; (B)OVER-TILDE AB In an attempt to characterize the state interactions near the dissociation energy of singlet methylene, the near ultraviolet band system of singlet methylene has been studied using a laser optical-optical double resonance scheme. Spectra terminating in several, previously unobserved, higher bending levels of the (c) over tilde (1)A(1) state have been detected. The highest energy band has simple rotational structure with lifetime broadened lines and is observed near 32300 cm(-1), which is 500 cm-1 above the current best estimate for the singlet bond dissociation energy to CH((2)Pi) + H(S-2). Two lower energy bands exhibit a proliferation of rotationally-labeled double-resonance lines in the vicinity of the bright (c) over tilde (0,12,0) and (c) over tilde (0,13,0) bending levels, indicating that at least 7 and 9 strongly coupled vibronic states participate in each of these bands, respectively. The additional states may be associated with kinks in the adiabatic E state potential along the asymmetric stretching coordinate associated with interactions among (c) over tilde (1)A', (a) over tilde (1)A', and 3(1)A' states, as described by Ostojic (J. Mol. Spectrosc. 2002, 212, 130). There is no evidence for lifetime broadening below the singlet dissociation energy; hence we conclude that coupling of spectroscopically accessible singlet CH2 levels to the triplet manifold is very small. C1 [Wang, Zhong; Kim, Yangsoo; Hall, Gregory E.; Sears, Trevor J.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Sears, TJ (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM sears@bnl.gov RI Hall, Gregory/D-4883-2013; Sears, Trevor/B-5990-2013 OI Hall, Gregory/0000-0002-8534-9783; Sears, Trevor/0000-0002-5559-0154 FU Brookhaven National Laboratory [DE-AC02-98CH10886]; U.S. Department of Energy; Division of Chemical Sciences; Office of Basic Energy Sciences FX Acknowledgment. We thank Prof. R. W. Field (MIT) and Hua-Gen Yu (Brookhaven) for helpful discussions on various topics related to this work. This work was performed at Brookhaven National Laboratory under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy and supported by its Division of Chemical Sciences, Office of Basic Energy Sciences. NR 28 TC 6 Z9 6 U1 0 U2 4 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 OCT 2 PY 2008 VL 112 IS 39 BP 9248 EP 9254 DI 10.1021/jp801038e PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 353FP UT WOS:000259551800009 PM 18563883 ER PT J AU Wang, J Struckmeier, U Yang, B Cool, TA Osswald, P Kohse-Hoeinghaus, K Kasper, T Hansen, N Westmoreland, PR AF Wang, Juan Struckmeier, Ulf Yang, Bin Cool, Terrill A. Osswald, Patrick Kohse-Hoeinghaus, Katharina Kasper, Tina Hansen, Nils Westmoreland, Phillip R. TI Isomer-specific influences on the composition of reaction intermediates in dimethyl ether/propene and ethanol/propene flame SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID PHOTOIONIZATION MASS-SPECTROMETRY; HYDROCARBON GROWTH-PROCESSES; CHEMICAL KINETIC-MODEL; ETHYLENE-AIR FLAMES; FUEL-RICH PROPENE; OXYGENATED HYDROCARBONS; COMBUSTION CHEMISTRY; ELEMENTARY REACTIONS; REACTION-MECHANISM; ETHANOL OXIDATION AB This work provides experimental evidence on how the molecular compositions of fuel-rich low-pressure premixed flames are influenced as the oxygenates dimethyl ether (DME) or ethanol are incrementally blended into the propene fuel. Ten different flames with a carbon-to-oxygen ratio of 0.5, ranging from 100% propene (phi = 1.5) to 100% oxygenated fuel (phi = 2.0), are analyzed with flame-sampling molecular-beam mass spectrometry employing electron- or photoionization. Absolute mole fraction profiles for flame species with masses ranging from m/z = 2(H-2) to m/z = 80 (C6H8) are analyzed with particular emphasis on the formation of harmful emissions. Fuel-specific destruction pathways, likely to be initiated by hydrogen abstraction, appear to lead to benzene from propene combustion and to formaldehyde and acetaldehyde through DME and ethanol combustion, respectively. While the concentration of acetaldehyde increases 10-fold as propene is substituted by ethanol, it decreases as propene is replaced with DME. In contrast, the formaldehyde concentration rises only slightly with ethanol replacement but increases markedly with addition of DME. Allyl and propargyl radicals, the dominant precursors for benzene formation, are likely to be produced directly from propene decomposition or via allene and propyne. Benzene formation through propargyl radicals formed via unsaturated C-2 intermediates in the decomposition of DME and ethanol is negligibly small. As a consequence, DME and ethanol addition lead to similar reductions of the benzene concentration. C1 [Wang, Juan; Yang, Bin; Cool, Terrill A.] Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY 14853 USA. [Struckmeier, Ulf; Osswald, Patrick; Kohse-Hoeinghaus, Katharina] Univ Bielefeld, Dept Chem, D-33615 Bielefeld, Germany. [Kasper, Tina; Hansen, Nils] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Westmoreland, Phillip R.] Univ Massachusetts, Dept Chem Engn, Amherst, MA 01003 USA. RP Cool, TA (reprint author), Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY 14853 USA. EM tac13@cornell.edu; kkh@pcl.uni-bielefeld.de RI Yang, Bin/A-7158-2008; Kohse-Hoinghaus, Katharina/A-3867-2012; Hansen, Nils/G-3572-2012; Osswald, Patrick/N-3377-2013; Kasper, Tina/A-2975-2017 OI Yang, Bin/0000-0001-7333-0017; Osswald, Patrick/0000-0002-2257-2988; Kasper, Tina/0000-0003-3993-5316 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences; U.S. Department of Energy (USDOE) [DE-FG02-OIER15180]; Chemical Sciences Division [ER 14192]; U.S. Army Research Office; Deutsche Forschungsgerneinschaft [1363/18-3]; Sandia Corporation, a Lockheed Martin Company; National Nuclear Security Administration [DE-AC04-94AL85000]; Office of Science, Office of Basic Energy Sciences; Materials Sciences Division [DE-AC02-05CH 11231]; Lawrence Berkeley National Laboratory; [DE-FG0291] FX Acknowledgment. The authors are grateful to Paul Fugazzi and Harald Waterbor for expert technical assistance and Linda-Christin Salameh for assistance with measurements at Bielefeld University. This work is supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy (USDOE), in part under Grants DE-FG02-OIER15180 (T.A.C. JW., B.Y.), DE-FG0291 ER 14192 (P.R.W.); by the Chemical Sciences Division, U.S. Army Research Office (T.A.C. JW., B.Y.); and by the Deutsche Forschungsgerneinschaft KO 1363/18-3 (U.S., P.O., K.K.-H.) Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the National Nuclear Security Administration under Contract DE-AC04-94AL85000. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences Division, of the USDOE under Contract No. DE-AC02-05CH 11231 at Lawrence Berkeley National Laboratory. NR 54 TC 58 Z9 62 U1 9 U2 41 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 OCT 2 PY 2008 VL 112 IS 39 BP 9255 EP 9265 DI 10.1021/jp8011188 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 353FP UT WOS:000259551800010 PM 18505242 ER PT J AU Taatjes, CA Osborn, DL Selby, TM Meloni, G Fan, HY Pratt, ST AF Taatjes, Craig A. Osborn, David L. Selby, Talitha M. Meloni, Giovanni Fan, Haiyan Pratt, Stephen T. TI Absolute photoionization cross-section of the methyl radical SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID RESOLVED MASS-SPECTROMETRY; COMBUSTION CHEMISTRY; ALKYLPEROXY RADICALS; MOLECULAR CHLORINE; LOW-PRESSURE; KINETICS; FLAMES; CH3; YIELDS; PHOTODISSOCIATION AB The absolute photoionization cross-section of the methyl radical has been measured using two completely independent methods. The CH3 photoionization cross-section was determined relative to that of acetone and methyl vinyl ketone at photon energies of 10.2 and 11.0 eV by using a pulsed laser-photolysis/time-resolved synchrotron photoionization mass spectrometry method. The time-resolved depletion of the acetone or methyl vinyl ketone precursor and the production of methyl radicals following 193 nm photolysis are monitored simultaneously by using time-resolved synchrotron photoionization mass spectrometry. Comparison of the initial methyl signal with the decrease in precursor signal, in combination with previously measured absolute photoionization cross-sections of the precursors, yields the absolute photoionization cross-section of the methyl radical; sigma(CH)(10.2 eV) = (5.7 +/- 0.9) x 10(-18) cm(2) and sigma(CH3)(11.0 eV) = (6.0 +/- 2.0) x 10(-18) cm(2). The photoionization cross-section for vinyl radical determined by photolysis of methyl vinyl ketone is in good agreement with previous measurements. The methyl radical photoionization cross-section was also independently measured relative to that of the iodine atom by comparison of ionization signals from CH3 and 1 frauments following 266 nm photolysis of methyl iodide in a molecular-beam ion-imaging apparatus. These measurements gave a cross-section of (5.4 +/- 2.0) x 10(-18) cm(2) at 10.460 eV, (5.5 +/- 2.0) x 10(-18) cm(2) at 10.466 eV, and (4.9 +/- 2.0) x 10(-18) cm(2) at 10.471 eV. The measurements allow relative photoionization efficiency spectra of methyl radical to be placed on an absolute scale and will facilitate quantitative measurements of methyl concentrations by photoionization mass spectrometry. C1 [Taatjes, Craig A.; Osborn, David L.; Selby, Talitha M.; Meloni, Giovanni] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Fan, Haiyan; Pratt, Stephen T.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Taatjes, CA (reprint author), Sandia Natl Labs, Combust Res Facil, Mail Stop 9055, Livermore, CA 94551 USA. EM cataatj@sandia.gov; stpratt@anl.gov RI Osborn, David/A-2627-2009 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [DE-AC0206CH11357]; National Nuclear Security Administration [DE-AC04-94AL85000]; U.S. Department of Energy [DE-AC02-05CH 11231]; Lawrence Berkeley National Laboratory FX Acknowledgment. We thank Juan Wang and Terrill A. Cool (Cornell University) for providing their cross-section measurements of methyl vinyl ketone prior to publication. This work is supported by the Division of Chemical Sciences, Geosciences, and Biosciences, the Office of Basic Energy Sciences, the U.S. Department of Energy. The work at Argonne 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-AC0206CH11357. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Co., for the National Nuclear Security Administration under contract DE-AC04-94AL85000. The Advanced Light Source is Supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH 11231 at Lawrence Berkeley National Laboratory. NR 70 TC 64 Z9 64 U1 5 U2 44 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 OCT 2 PY 2008 VL 112 IS 39 BP 9336 EP 9343 DI 10.1021/jp8022937 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 353FP UT WOS:000259551800021 PM 18572896 ER PT J AU Montiel, D Yang, H AF Montiel, Daniel Yang, Haw TI Observation of correlated emission intensity and polarization fluctuations in single CdSe/ZnS quantum dots SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID FLUORESCENCE INTERMITTENCY; SPECTRAL DIFFUSION; BLINKING; NANOCRYSTALS; ORIENTATION; STATISTICS; DEPENDENCE; BEHAVIOR; RODS AB Time-resolved single-nanoparticle spectroscopy has been carried out to examine the luminescence characteristics of individual CdSe/ZnS core/shell quantum dots. In particular, the possible correlations between emission intensity, lifetime, spectrum, and polarization fluctuations have been investigated. The emission polarization was found to be correlated with the luminescence intensity in a nonlinear way. The low-emissive states were found to correlate with red-shifted spectrum, increased nonradiative decay, and low degree of emission polarization. The observations are consistent with the model that charged quantum dots can be emissive. C1 [Montiel, Daniel; Yang, Haw] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Yang, Haw] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Yang, H (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM hawyang@berkeley.edu FU Department of Energy; National Institutes of Health FX Acknowledgment. This work was Supported by the Department of Energy and the National Institutes of Health. H.Y. is an Alfred P. Sloan Fellow. NR 35 TC 19 Z9 19 U1 1 U2 11 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 OCT 2 PY 2008 VL 112 IS 39 BP 9352 EP 9355 DI 10.1021/jp802317a PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 353FP UT WOS:000259551800023 PM 18693717 ER PT J AU Wang, CC Kornilov, O Gessner, O Kim, JH Peterka, DS Neumark, DM AF Wang, Chia C. Kornilov, Oleg Gessner, Oliver Kim, Jeong Hyun Peterka, Darcy S. Neumark, Daniel M. TI Photoelectron imaging of helium droplets doped with Xe and Kr atoms SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID LIQUID-HELIUM; SUPERFLUID-HELIUM; ELECTRON BUBBLES; EXCITED-STATES; HE-4 CLUSTERS; EXCESS ELECTRONS; MOLECULES; DYNAMICS; ENERGY; PHOTOIONIZATION AB Helium droplets doped with Xe and Kr atoms were photoionized by using VUV synchrotron radiation from the Advanced Light Source and the resulting photoelectron images were measured. A wide range of He droplet sizes, photon energies, and dopant pick-up conditions was investigated. Significant ionization of dopants was observed at 21.6 eV, the absorption maximum of 2p P-1(1) electronic excited state of He droplets, indicating an indirect ionization mechanism via excitation transfer. The photoelectron images and spectra reveal multiple photoionization mechanisms and pathways for the photoelectrons to escape the droplet. Specifically, they show sets of sharp peaks assigned to two mechanisms for Penning ionization of the dopant by He* in which the photoelectrons leave the droplet with no detectable energy loss, a broad, intense feature representing electrons that undergo significant energy loss, and a small amount of ultraslow electrons that may result from electron trapping at the droplet surface. The droplet-size dependence of the broad, intense feature suggests the development of the conduction band edge in the largest droplets seen here (< N > approximate to 250,000). C1 [Neumark, Daniel M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley 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 OI Neumark, Daniel/0000-0002-3762-9473 FU Office of Science, Office of Basic Energy Sciences, Chemical Sciences Division; U.S. Department of Energy [DE-AC02-05CH11231] FX Acknowledgment. This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy under Contract no. DE-AC02-05CH11231. NR 76 TC 19 Z9 19 U1 2 U2 9 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 OCT 2 PY 2008 VL 112 IS 39 BP 9356 EP 9365 DI 10.1021/jp802332f PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 353FP UT WOS:000259551800024 PM 18690675 ER PT J AU Selby, TM Meloni, G Goulay, F Leone, SR Fahr, A Taatjes, CA Osborn, DL AF Selby, Talitha M. Meloni, Giovanni Goulay, Fabien Leone, Stephen R. Fahr, Askar Taatjes, Craig A. Osborn, David L. TI Synchrotron photoionization mass spectrometry measurements of kinetics and product formation in the allyl radical (H2CCHCH2) self-reaction SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID 193 NM PHOTOLYSIS; CROSS-SECTIONS; PROPARGYL RADICALS; ALKYLPEROXY RADICALS; SATURNS ATMOSPHERE; AROMATIC-COMPOUNDS; METHYL RADICALS; RATE CONSTANTS; VINYL; PRESSURE AB Product channels for the self-reaction of the resonance-stabilized allyl radical, C3H5 + C3H5, have been studied with isomeric specificity at temperatures from 300-600 K and pressures from 1-6 Torr using time-resolved multiplexed photoionization mass spectrometry. Under these conditions 1.5-hexadiene was the only C6H10 product isomer detected. The lack of isomerization of the C6H10 product is in marked contrast to the C6H6 product in the related C3H3 + C3H3 reaction, and is due to the more saturated electronic structure of the C6H10 system. The disproportionation product channel, yielding allene + propene, was also detected, with an upper limit on the branching fraction relative to recombination of 0.03. Analysis of the allyl radical decay at 298 K yielded a total rate coefficient of (2.7 +/- 0.8) x 10(-11) cm(3) molecule(-1) s(-1), in good agreement with previous experimental measurements using ultraviolet kinetic absorption spectroscopy and a recent theoretical determination using variable reaction coordinate transition state theory. This result provides independent indirect Support for the literature value of the allyl radical ultraviolet absorption cross-section near 223 nm. C1 [Selby, Talitha M.; Meloni, Giovanni; Taatjes, Craig A.; Osborn, David L.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Goulay, Fabien; Leone, Stephen R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Fahr, Askar] Howard Univ, Dept Chem, Washington, DC 20059 USA. RP Osborn, DL (reprint author), Sandia Natl Labs, Combust Res Facil, MS 9055, Livermore, CA 94551 USA. EM dlosbor@sandia.gov RI Osborn, David/A-2627-2009 FU Division of Chemical Sciences; Geosciences, and Biosciences; Office of Basic Energy Sciences; U.S. Department of Energy; National Nuclear Security Administration [DE-AC04-94-AL85000]; Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences Division; U.S. Department of Energy [DE-AC0205CH 11231]; Lawrence Berkeley National Laboratory; NASA-Planetary Atmospheres Program [NNG05GQ15G] FX Acknowledgment. We thank Mr. Howard Johnsen for excellent technical support. We gratefully acknowledge Dr. Huzeifa Ismail and Prof. William H. Green (Massachusetts Institute of Technology) for communicating their results on the allyl + allyl reaction prior to publication. This work is supported by the Division of Chemical Sciences. Geosciences, and Biosciences, the Office of Basic Energy Sciences, the U.S. Department of Energy. Sandia is a multiprograrn laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the National Nuclear Security Administration under Contract DE-AC04-94-AL85000. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences Division, of the U.S. Department of Energy under Contract No. DE-AC0205CH 11231 at Lawrence Berkeley National Laboratory. A.F. acknowledges support of NASA-Planetary Atmospheres Program (award no. NNG05GQ15G). NR 46 TC 27 Z9 27 U1 3 U2 20 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 OCT 2 PY 2008 VL 112 IS 39 BP 9366 EP 9373 DI 10.1021/jp802330k PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 353FP UT WOS:000259551800025 PM 18702479 ER PT J AU Thomann, I Lock, R Sharma, V Gagnon, E Pratt, ST Kapteyn, HC Murnane, MM Li, W AF Thomann, Isabell Lock, Robynne Sharma, Vandana Gagnon, Etienne Pratt, Stephen T. Kapteyn, Henry C. Murnane, Margaret M. Li, Wen TI Direct measurement of the angular dependence of the single-photon ionization of aligned N-2 and CO2 SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID RESOLVED PHOTOELECTRON-SPECTROSCOPY; DISTRIBUTIONS; MOLECULES; NO; PHOTOIONIZATION; ALIGNMENT; DYNAMICS; VALENCE; PULSES; FIELD AB By combining a state-of-the-art high-harmonic ultrafast soft X-ray source with field-free dynamic alignment, we map the angular dependence of molecular photoionization yields for the first time for a nondissociative molecule. The observed modulation in ion yield as a function of molecular alignment is attributed to the molecular frame transition dipole moment of single-photon ionization to the X. A and B states of N-2(+) and CO2+. Our data show that the transition dipoles for single-photon ionization of N-2 and CO2 at 43 eV have larger perpendicular components than parallel ones. A direct comparison with published theoretical partial wave ionization cross-sections confirms these experimental observations, which are the first results to allow such comparison with theory for bound cation states. The results provide the first step toward a novel method for measuring molecular frame transition dipole matrix elements. C1 [Thomann, Isabell; Lock, Robynne; Sharma, Vandana; Gagnon, Etienne; Kapteyn, Henry C.; Murnane, Margaret M.; Li, Wen] Univ Colorado, JILA, Boulder, CO 80309 USA. [Thomann, Isabell; Lock, Robynne; Sharma, Vandana; Gagnon, Etienne; Kapteyn, Henry C.; Murnane, Margaret M.; Li, Wen] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Thomann, Isabell; Lock, Robynne; Sharma, Vandana; Gagnon, Etienne; Kapteyn, Henry C.; Murnane, Margaret M.; Li, Wen] NIST, Boulder, CO 80309 USA. [Pratt, Stephen T.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Li, W (reprint author), Univ Colorado, JILA, Boulder, CO 80309 USA. EM wli@jila.colorado.edu RI Kapteyn, Henry/H-6559-2011; Thomann, Isabell/F-1245-2014; OI Kapteyn, Henry/0000-0001-8386-6317; Thomann, Isabell/0000-0002-4722-5632 FU National Science Foundation; Department of Energy; Chemical Sciences, Geosciences, and Biosciences Division of the Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy [DE-AC02-06CH11357] FX We thank A. Sandhu and C. La-o-vorakiat for their assistance on the experiment. We gratefully acknowledge the financial support from the National Science Foundation and the Department of Energy. S.T.P. was supported by the Chemical Sciences, Geosciences, and Biosciences Division of the Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy under Contract No. DE-AC02-06CH11357. NR 31 TC 61 Z9 61 U1 3 U2 20 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 OCT 2 PY 2008 VL 112 IS 39 BP 9382 EP 9386 DI 10.1021/jp8023414 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 353FP UT WOS:000259551800027 PM 18693716 ER PT J AU Miller, JA Senosiain, JP Klippenstein, SJ Georgievskii, Y AF Miller, James A. Senosiain, Juan P. Klippenstein, Stephen J. Georgievskii, Yuri TI Reactions over multiple, interconnected potential wells: Unimolecular and bimolecular reactions on a C3H5 potential SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID PHENOMENOLOGICAL RATE COEFFICIENTS; 193 NM PHOTODISSOCIATION; MASTER EQUATION METHODS; HYDROGEN-ATOMS; ELEMENTARY REACTIONS; CH3+C2H2 REACTION; METHYL RADICALS; SHOCK-WAVES; H-ATOMS; PROPYNE AB In this article we analyze quantitatively and discuss in detail a number of reactions that take place on a C3H5 potential. These reactions include the reaction of hydrogen atoms with allene and propyne, the reaction of methyl with acetylene, the isomerization of cyclopropyl to allyl, and the dissociation of allyl, 1-propenyl, and 2-propenyl. The theory employs high-level electronic-structure methods to characterize the potential energy surface, RRKM theory to calculate microcanonical, J-resolved rate coefficients, and master-equation methods to determine phenomenological rate coefficients, k(T,p). The agreement between our theory and the experimental results available is very good. The final theoretical results are cast in a form that is convenient for use in chemical kinetics modeling. C1 [Miller, James A.; Senosiain, Juan P.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Klippenstein, Stephen J.; Georgievskii, Yuri] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Miller, JA (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. EM jamille@sandia.gov OI Klippenstein, Stephen/0000-0001-6297-9187 FU United States Department of Energy; Office of Basic Energy Sciences; Division of Chemical Sciences, Geosciences, and Biosciences; Sandia Corporation; Lockheed Martin Co.; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94A185000]; Argonne [DE-AC02-06CH11357] FX This work was supported by the United States Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Co., for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94A185000. The work at Argonne was supported under contract no. DE-AC02-06CH11357. NR 57 TC 41 Z9 42 U1 3 U2 40 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 OCT 2 PY 2008 VL 112 IS 39 BP 9429 EP 9438 DI 10.1021/jp804510k PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 353FP UT WOS:000259551800033 PM 18714954 ER PT J AU Kostko, O Belau, L Wilson, KR Ahmed, M AF Kostko, Oleg Belau, Leonid Wilson, Kevin R. Ahmed, Musahid TI Vacuum-ultraviolet (VUV) photoionization of small methanol and methanol-water clusters SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID ELECTRON-IMPACT IONIZATION; MULTIPHOTON IONIZATION; MOLECULAR-BEAM; MIXED CLUSTERS; GAS-PHASE; HYDROGEN; SOLVATION; COMPLEXES; ETHANOL; MIXTURES AB In this work, we report on the vacuum-ultraviolet (VUV) photoionization of small methanol and methanol-water clusters. Clusters of methanol with water are generated via co-expansion of the gas phase constituents in a continuous supersonic jet expansion of methanol and water seeded in Ar. The resulting clusters are investigated by single photon ionization with tunable vacuum-ultraviolet synchrotron radiation and mass analyzed using reflectron mass spectrometry. Protonated methanol clusters of the form (CH3OH)(n)H+ (n = 1-12) dominate the mass spectrum below the ionization energy of the methanol monomer. With an increase in water concentration, small amounts of mixed Clusters of the form (CH3OH)(n)(H2O)H+ (n = 2-11) are detected. The only unprotonated species observed in this work are the methanol monomer and dimer. Appearance energies are obtained from the photoionization efficiency (PIE) curves for CH3OH+, (CH3OH)(2)(+), (CH3OH)(n)H+ (n = 1-9), and (CH3OH)(n)(H2O)H+ (n = 2-9) as a function of photon energy. With an increase in the water content in the molecular beam, there is an enhancement of photoionization intensity for the methanol dimer and protonated methanol monomer at threshold. These results are compared and contrasted to previous experimental observations. C1 [Kostko, Oleg; Belau, Leonid; Wilson, Kevin R.; Ahmed, Musahid] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Ahmed, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM MAhmed@lbl.gov RI Ahmed, Musahid/A-8733-2009; Kostko, Oleg/B-3822-2009; Kostko, Oleg/A-3693-2010 OI Kostko, Oleg/0000-0003-2068-4991; FU Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was Supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 37 TC 27 Z9 27 U1 3 U2 52 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 OCT 2 PY 2008 VL 112 IS 39 BP 9555 EP 9562 DI 10.1021/jp8020479 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 353FP UT WOS:000259551800048 PM 18578483 ER PT J AU Gannon, KL Blitz, MA Pilling, MJ Seakins, PW Klippenstein, SJ Harding, LB AF Gannon, K. L. Blitz, M. A. Pilling, M. J. Seakins, P. W. Klippenstein, S. J. Harding, L. B. TI Kinetics and product branching ratios of the reaction of (CH2)-C-1 with H-2 and D-2 SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID MULTIREFERENCE PERTURBATION-THEORY; POTENTIAL-ENERGY SURFACE; REMOVAL RATES; SINGLET METHYLENE; TEMPERATURE DEPENDENCES; CONFIGURATION-INTERACTION; PREDICTIVE THEORY; WAVE-FUNCTIONS; RATE CONSTANTS; CN RADICALS AB The reactions of singlet methylene (a(1)A(1) (CH2)-C-1) with hydrogen and deuterium have been studied by experimental and theoretical techniques. The rate coefficients for the removal of singlet methylene with H-2 (k(1)) and D-2 (k(2)) have been measured from 195 to 798 K and are essentially temperature-independent with values of k(1) = (10.48 +/- 0.32) x 10(-11) cm(3) molecule(-1) s(-1) and k(2) = (5.98 +/- 0.34) x 10(-11) cm(3) niolecule(-1) s(-1), where the errors represent 2 sigma, giving a ratio of k(1)/k(2) = 1.75 +/- 0.11. In the reaction with H2, singlet methylene can be removed by reaction giving CH3 + H or deactivated to ground-state triplet methylene. Direct measurement of the H atom product showed that the fraction of relaxation decreased from 0.3 at 195 K to essentially zero at 398 K. For the reaction with deuterium, either H or D may be eliminated. Experimentally, the H:D ratio was determined to be 1.8 +/- 0.5 over the range 195-398 K. Theoretically, the reaction kinetics has been predicted with variable reaction coordinate transition state theory and with rigid-body trajectory simulations employing various high-level, ab initio-determined potential energy surfaces. The magnitudes of the calculated rate coefficients are in agreement with experiment, but the calculations show a significant negative temperature dependence that is not observed in the experimental results. The calculated and experimental H to D ratios from the reaction of singlet methylene with D-2 are in good agreement, suggesting that the reaction proceeds entirely through the formation of a long-lived methane intermediate with a statistical distribution of energy. C1 [Gannon, K. L.; Blitz, M. A.; Pilling, M. J.; Seakins, P. W.] Univ Leeds, Sch Chem, Leeds LS2 9JT, W Yorkshire, England. [Klippenstein, S. J.; Harding, L. B.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Seakins, PW (reprint author), Univ Leeds, Sch Chem, Leeds LS2 9JT, W Yorkshire, England. RI blitz, mark/A-1195-2009; OI Klippenstein, Stephen/0000-0001-6297-9187 FU EPSRC; Division of Chemical Sciences, Geosciences, and Biosciences, the Office of Basic Energy Sciences, the U.S. Department of Energy [DE-AC02-06CH11357]; [GR/T28560/01] FX We acknowledge the support of EPSRC for a studentship for K.L.G. and for a grant (GR/T28560/01) under which this work was performed. The work at Argonne was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, the Office of Basic Energy Sciences, the U.S. Department of Energy, under Contract DE-AC02-06CH11357. NR 63 TC 16 Z9 16 U1 0 U2 11 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 OCT 2 PY 2008 VL 112 IS 39 BP 9575 EP 9583 DI 10.1021/jp803038s PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 353FP UT WOS:000259551800050 PM 18714945 ER PT J AU Citir, M Metz, RB Belau, L Ahmed, M AF Citir, Murat Metz, Ricardo B. Belau, Leonid Ahmed, Musahid TI Direct determination of the ionization energies of PtC, PtO, and PtO2 with VUV radiation SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID DENSITY-FUNCTIONAL CALCULATIONS; MATRIX INFRARED-SPECTRA; TRANSITION-METAL IONS; GAS-PHASE KINETICS; CROSS-SECTIONS; C-H; ELECTRONIC-STRUCTURE; EMISSION-SPECTRUM; PLATINUM MONOXIDE; BOND ACTIVATION AB Photoionization efficiency curves were measured for gas-phase PtC, PtO, and PtO, using tunable vacuum ultraviolet (VUV) radiation at the Advanced Light Source. The molecules were prepared by laser ablation of a platinum tube, followed by reaction with CH4 or NO and supersonic expansion. These measurements provide the first directly measured ionization energy for PtC, IE(PtC) = 9.45 +/- 0.05 eV. The direct measurement also gives greatly improved ionization energies for the platinum oxides, IE(PtO) = 10.0 +/- 0.1 eV and FE(PtO2) = 11.35 +/- 0.05 eV. The ionization energy connects the dissociation energies of the neutral and cation, leading to greatly improved 0 K bond dissociation energies for the neutrals: D-0(Pt-C) = 5.95 +/- 0.07 eV, D-0(Pt-O) = 4.30 +/- 0.12 eV, and D-0(OPt-O) = 4.41 +/- 0.13 eV, as well as enthalpies of formation for the gas-phase molecules Delta H-f.0(0)(PtC(g)) = 701 +/- 7 kJ/mol, Delta H-f.0(0)(PtO(g)) = 396 +/- 12 kJ/mol, and Delta H-f.0(0)(PtO2(g)) = 218 +/- 11 kJ/mol. Much of the error in previous Knudsen cell measurements of platinum oxide bond dissociation energies is due to the use of thermodynamic second law extrapolations. Third law values calculated using statistical mechanical thermodynamic functions are in much better agreement with values obtained from ionization energies and ion energetics. These experiments demonstrate that laser ablation production with direct VUV ionization measurements is a versatile tool to measure ionization energies and bond dissociation energies for catalytically interesting species such as metal oxides and carbides. C1 [Citir, Murat; Metz, Ricardo B.] Univ Massachusetts, Dept Chem, Amherst, MA 01003 USA. [Belau, Leonid; Ahmed, Musahid] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Metz, RB (reprint author), Univ Massachusetts, Dept Chem, Amherst, MA 01003 USA. EM rbmetz@chemistry.umass.edu RI Ahmed, Musahid/A-8733-2009; Metz, Ricardo/E-8856-2010; Citir, Murat/G-1206-2011; Citir, Murat/C-8850-2012; OI Citir, Murat/0000-0002-6666-4980; Metz, Ricardo/0000-0003-1933-058X FU National Science Foundation [CHE-0608446]; Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy [DE-AC02-05CH11231] FX R.B.M. acknowledges financial support from the National Science Foundation under Award CHE-0608446. This work was supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 61 TC 15 Z9 16 U1 0 U2 13 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 OCT 2 PY 2008 VL 112 IS 39 BP 9584 EP 9590 DI 10.1021/jp8024733 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 353FP UT WOS:000259551800051 PM 18710200 ER PT J AU Yang, ZB Lam, C Chu, IK Laskin, J AF Yang, Zhibo Lam, Corey Chu, Ivan K. Laskin, Julia TI The effect of the secondary structure on dissociation of peptide radical cations: Fragmentation of angiotensin III and its analogues SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID SURFACE-INDUCED DISSOCIATION; ION-CYCLOTRON RESONANCE; ELECTRON-TRANSFER DISSOCIATION; COLLISION-INDUCED DISSOCIATION; GAS-PHASE; MASS-SPECTROMETRY; PROTONATED PEPTIDES; CAPTURE DISSOCIATION; POLYPEPTIDE IONS; AB-INITIO AB Fragmentation of protonated RVYIHPF and RVYIHPF-OMe and the corresponding radical cations was studied using time- and collision energy-resolved surface-induced dissociation (SID) in a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) specially equipped to perform SID experiments. Peptide radical cations were produced by gas-phase fragmentation of Co-III (salen)-peptide complexes. Both the energetics and the mechanisms of dissociation of even-electron and odd-electron angiotensin III ions are quite different. Protonated molecules are much more stable toward fragmentation than the corresponding radical cations. RRKM modeling of the experimental data suggests that this stability is largely attributed to differences in threshold energies for dissociation, while activation entropies are very similar. Detailed analysis of the experimental data obtained for radical cations demonstrated the presence of two distinct structures separated by a high free-energy barrier. The two families of structures were ascribed to the canonical and zwitterionic forms of the radical cations produced in our experiments. C1 [Yang, Zhibo; Laskin, Julia] Pacific NW Natl Lab, Fundamental Sci Div, Richland, WA 99352 USA. [Lam, Corey; Chu, Ivan K.] Univ Hong Kong, Dept Chem, Hong Kong, Hong Kong, Peoples R China. RP Laskin, J (reprint author), Pacific NW Natl Lab, Fundamental Sci Div, Richland, WA 99352 USA. EM julia.laskin@pnl.gov RI Chu, Ivan /D-3065-2009; Yang, Zhibo/E-4088-2010; Laskin, Julia/H-9974-2012 OI Laskin, Julia/0000-0002-4533-9644 FU Chemical Sciences Division, Office of Basic Energy Sciences of the U.S. DOE; University of Hong Kong; Hong Kong Research Grant Council; Special Administrative Region, China [7018/06P]; U.S. Department of Energy's Office of Biological and Environmental Research FX This study was partially supported by a grant from the Chemical Sciences Division, Office of Basic Energy Sciences of the U.S. DOE and partially by the University of Hong Kong and Hong Kong Research Grant Council, Special Administrative Region, China (Project No. 7018/06P). The research described in this Article was performed at the W. R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the U.S. Department of Energy. I.K.C. and C.L. acknowledge participation in the PNNL Interfacial and Condensed Phase Summer Research Institute. We thank Mr. Tao Song (University of Hong Kong) for stimulating discussions. NR 72 TC 21 Z9 21 U1 2 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 OCT 2 PY 2008 VL 112 IS 39 BP 12468 EP 12478 DI 10.1021/jp805226x PG 11 WC Chemistry, Physical SC Chemistry GA 353FR UT WOS:000259552000040 PM 18781717 ER PT J AU Lu, T Goldfield, EM Gray, SK AF Lu, Tun Goldfield, Evelyn M. Gray, Stephen K. TI Classical trajectory studies of the D+H-2 -> HD+H reaction confined in carbon nanotubes: Parallel trajectories SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID CHEMICAL-REACTIVITY; MOLECULAR-DYNAMICS; QUANTUM STATES; ENERGY; HYDROGEN; HYDROCARBONS; ISOTOPES; SYSTEMS AB We use full-dimensional classical trajectories to study how reaction probabilities for the D + H-2 --> DH + H reaction are altered when the system is confined to move within various-sized carbon nanotubes (CNTs). This study focuses on D atoms initially moving parallel to the long axis of the tube. We compare our results with standard gas-phase reaction probabilities. Enhanced reaction probabilities are found for the smaller diameter CNTs, and slight quenching is found for the largest diameter CNT studied. These results are also consistent with those of a reduced-dimensional, quantum study. The origins of the confinement effects are discussed in terms of how the CNT modifies the H-2 reactant state and of the modified forces experienced by the incoming D atom. C1 [Lu, Tun; Goldfield, Evelyn M.] Wayne State Univ, Dept Chem, Detroit, MI 48202 USA. [Gray, Stephen K.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Goldfield, EM (reprint author), Wayne State Univ, Dept Chem, Detroit, MI 48202 USA. EM evi@chem.wayne.edu FU U.S. Department of Energy, Basic Energy Sciences [DE-FG02-01ER15212, DE-AC02-06CH11357] FX E.M.G. acknowledges support from the U.S. Department of Energy, Basic Energy Sciences, Grant No. DE-FG02-01ER15212. S.K.G. was supported by the U.S. Department of Energy, Basic Energy Sciences, under contract No. DE-AC02-06CH11357. NR 33 TC 7 Z9 7 U1 3 U2 6 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 OCT 2 PY 2008 VL 112 IS 39 BP 15260 EP 15266 DI 10.1021/jp804464x PG 7 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 353FT UT WOS:000259552200029 ER PT J AU Konduri, S Tong, HM Chempath, S Nair, S AF Konduri, Suchitra Tong, Ho Ming Chempath, Shaji Nair, Sankar TI Water in single-walled aluminosilicate nanotubes: Diffusion and adsorption properties SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID MIXED-OXIDE NANOTUBES; CARBON NANOTUBES; MOLECULAR-DYNAMICS; TRANSPORT; MEMBRANES; ZEOLITES; SIMULATIONS; RESISTANCES; DIMENSIONS; SILICALITE AB Single-walled aluminosilicate nanotubes are attractive materials for construction of nanofluidic devices. They have a well-defined structure, a hydrophilic interior with periodic wide and narrow regions, precisely tunable length and diameter, and a functionalizable interior for tuning mass transport and adsorption properties. We report a computational and experimental investigation that highlights the unique adsorption and diffusive water transport properties of these nanotubes. Axial self-diffusivities of water molecules (at loadings ranging from near-infinite dilution to near-saturation) are calculated by molecular dynamics (MD) simulations, whereas adsorption properties are computed with grand canonical Monte Carlo (GCMC) simulations and are also compared to experimental data. The transport diffusivities are evaluated through the Darken approximation. Water transport in these nanotubes at room temperature was observed to occur via Fickian diffusion. The self-diffusivity decreases with an increase in water content,. whereas the transport diffusivity exhibited a maximum at intermediate water content. The diffusivities were comparable to the diffusivity of bulk liquid water and hence are considerably higher than in other nanoporous aluminosilicates such as zeolites. The computed adsorption isotherms exhibited inflections at low partial pressures (similar to 6 mm Hg) with a large fraction of adsorption occurring in the pores of the nanotube displaying remarkable hydrophilicity. As a combined result of the relatively fast Fickian diffusion of water, hydrophilicity of the nanotubes, and short nanotube lengths, the diffusive water flux through an aluminosilicate nanotube film is predicted to be quite high (10(2)-10(3) mol m(-2) s(-1)), even at very low pressure differentials across the membrane. C1 [Konduri, Suchitra; Tong, Ho Ming; Nair, Sankar] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. [Chempath, Shaji] Los Alamos Natl Lab, Theoret Chem & Mol Phys Grp, Los Alamos, NM 87545 USA. RP Nair, S (reprint author), Georgia Inst Technol, Sch Chem & Biomol Engn, 311 Ferst Dr NW, Atlanta, GA 30332 USA. EM sankar.nair@chbe.gatech.edu RI Tong, Ho Ming/K-3523-2016 OI Tong, Ho Ming/0000-0002-4561-3607 FU ACS Petroleum Research Fund [44074-G10]; National Science Foundation [0403574]; U.S. Department of Energy FX We thank Dr. S. Mukherjee and C. Nojima (Georgia Tech) for nanotube synthesis, Prof. H. Beckham and Dr. J. Leisen (Georgia Tech) for discussions and assistance with adsorption measurements, and Prof. D. Sholl (Georgia Tech) for discussions on the diffusion simulations. S.N. and S.K. acknowledge support from the ACS Petroleum Research Fund (No. 44074-G10) and partial support from the National Science Foundation (CBET No. 0403574). S.C. acknowledges support from the Office of Basic Energy Sciences under the U.S. Department of Energy. NR 38 TC 29 Z9 30 U1 1 U2 20 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 OCT 2 PY 2008 VL 112 IS 39 BP 15367 EP 15374 DI 10.1021/jp8025144 PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 353FT UT WOS:000259552200045 ER PT J AU Kuo, IFW Mundy, CJ McGrath, MJ Siepmann, JI AF Kuo, I. -F. William Mundy, Christopher J. McGrath, Matthew J. Siepmann, J. Ilja TI Structure of the methanol liquid-vapor interface: A comprehensive particle-based simulation study SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID DENSITY-FUNCTIONAL THEORY; MONTE-CARLO CALCULATIONS; INITIO MOLECULAR-DYNAMICS; RAY-ABSORPTION SPECTROSCOPY; 1ST PRINCIPLES SIMULATIONS; UNITED-ATOM DESCRIPTION; PHASE-EQUILIBRIA; AB-INITIO; TRANSFERABLE POTENTIALS; AQUEOUS INTERFACES AB This research addresses a comprehensive particle-based simulation study of the structural, dynamic, and electronic properties of the liquid-vapor interface of methanol utilizing both ab initio (based on density functional theory) and empirical (fixed charge) models. Numerous properties such as interfacial width, hydrogen bond populations, dipole moments, and correlation times are characterized with identical schemes to draw useful conclusions on the strengths and weakness of the proposed models for the interface of neat methanol. Our findings indicate that all models considered in this study yield similar results for the radial distribution functions, hydrogen bond populations, and orientational relaxation times. Significant differences in the models appear when examining both the dipole moments and surface relaxation near the liquid-vapor interface. Here, the density functional theory interaction potential predicts a significant decrease in the molecular dipole moment and slight expansion in the oxygen-oxygen distance as the interface is approached. C1 [Kuo, I. -F. William] Lawrence Livermore Natl Lab, Div Chem Sci, Livermore, CA 94551 USA. [Mundy, Christopher J.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [McGrath, Matthew J.; Siepmann, J. Ilja] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA. [McGrath, Matthew J.; Siepmann, J. Ilja] Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. RP Kuo, IFW (reprint author), Lawrence Livermore Natl Lab, Div Chem Sci, POB 808, Livermore, CA 94551 USA. EM kuo2@llnl.gov FU University of California LLNL [W-7405-Eng-48]; National Science Foundation [CBET-0553911, CBET-0756641, EMSI (ITR-0428774]; DOE Computational Science Graduate; 3M Foundation Fellowships; U.S. Department of Energy's (DOE) Office of Basic Energy Sciences, Chemical Sciences FX Part of this work was performed under the auspices of the U.S. DOE by University of California LLNL under Contract No. W-7405-Eng-48 and financial support from the National Science Foundation (CBET-0553911, CBET-0756641), EMSI (ITR-0428774), and DOE Computational Science Graduate and 3M Foundation Fellowships (M.J.M.) is gratefully acknowledged. C.J.M. is supported by the U.S. Department of Energy's (DOE) Office of Basic Energy Sciences, Chemical Sciences. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy. We thank Rich Saykally, Jared Smith, and Chris Cappa for stimulating discussions and the LLNL Computing staff for their help. Computer resources used were provided by Livermore Computing and the Minnesota Supercomputing Institute. NR 62 TC 17 Z9 17 U1 2 U2 12 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 OCT 2 PY 2008 VL 112 IS 39 BP 15412 EP 15418 DI 10.1021/jp8037126 PG 7 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 353FT UT WOS:000259552200050 ER PT J AU Reznik, D Sangiovanni, G Gunnarsson, O Devereaux, TP AF Reznik, D. Sangiovanni, G. Gunnarsson, O. Devereaux, T. P. TI Photoemission kinks and phonons in cuprates SO NATURE LA English DT Letter ID COPPER-OXIDE SUPERCONDUCTORS C1 [Reznik, D.] Forschungszentrum Karlsruhe, Inst Festkorperphys, D-76021 Karlsruhe, Germany. [Sangiovanni, G.] Max Planck Inst Festkorperforsch, D-70506 Stuttgart, Germany. [Gunnarsson, O.; Devereaux, T. P.] Stanford Univ, Dept Photon Sci, Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Reznik, D (reprint author), Forschungszentrum Karlsruhe, Inst Festkorperphys, POB 3640, D-76021 Karlsruhe, Germany. EM reznik@llb.saclay.cea.fr RI Sangiovanni, Giorgio/L-5893-2013 OI Sangiovanni, Giorgio/0000-0003-2218-2901 NR 12 TC 42 Z9 42 U1 0 U2 12 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD OCT 2 PY 2008 VL 455 IS 7213 BP E6 EP E7 DI 10.1038/nature07364 PG 2 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 354KY UT WOS:000259639700056 PM 18833217 ER PT J AU Abazov, VM Abbott, B Abolins, M Acharya, BS Adams, M Adams, T Aguilo, E Ahn, SH Ahsan, M Alexeev, GD Alkhazov, G Alton, A Alverson, G Alves, GA Anastasoaie, M Ancu, LS Andeen, T Anderson, S Andrieu, B Anzelc, MS Aoki, M Arnoud, Y Arov, M Arthaud, M Askew, A Asman, B Jesus, ACSA Atramentov, O Avila, C Badaud, F Baden, A 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 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Wetstein, M White, A Wicke, D Wilson, GW Wimpenny, SJ Wobisch, M Wood, DR Wyatt, TR Xie, Y Yacoob, S Yamada, R Yan, M Yasuda, T Yatsunenko, YA Yip, K Yoo, HD Youn, SW Yu, J Zeitnitz, C Zhao, T Zhou, B Zhu, J Zielinski, M Zieminska, D Zieminski, A Zivkovic, L Zutshi, V Zverev, EG AF Abazov, V. M. Abbott, B. Abolins, M. Acharya, B. S. Adams, M. Adams, T. Aguilo, E. Ahn, S. H. Ahsan, M. Alexeev, G. D. Alkhazov, G. Alton, A. Alverson, G. Alves, G. A. Anastasoaie, M. Ancu, L. S. Andeen, T. Anderson, S. Andrieu, B. Anzelc, M. S. Aoki, M. Arnoud, Y. Arov, M. Arthaud, M. Askew, A. Asman, B. Jesus, A. C. S. Assis Atramentov, O. Avila, C. Badaud, F. Baden, A. Bagby, L. Baldin, B. Bandurin, D. V. Banerjee, P. Banerjee, S. Barberis, E. Barfuss, A. -F. Bargassa, P. Baringer, P. Barreto, J. Bartlett, J. F. Bassler, U. Bauer, D. Beale, S. Bean, A. Begalli, M. Begel, M. Belanger-Champagne, C. Bellantoni, L. Bellavance, A. Benitez, J. A. Beri, S. B. Bernardi, G. Bernhard, R. Bertram, I. Besancon, M. Beuselinck, R. Bezzubov, V. A. Bhat, P. C. Bhatnagar, V. Biscarat, C. Blazey, G. Blekman, F. Blessing, S. Bloch, D. Bloom, K. Boehnlein, A. Boline, D. Bolton, T. A. Boos, E. E. Borissov, G. Bose, T. Brandt, A. Brock, R. Brooijmans, G. Bross, A. Brown, D. Buchanan, N. J. Buchholz, D. Buehler, M. 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M. Varelas, N. Varnes, E. W. Vasilyev, I. A. Vaupel, M. Verdier, P. Vertogradov, L. S. Verzocchi, M. Villeneuve-Seguier, F. Vint, P. Vokac, P. Von Toerne, E. Voutilainen, M. Wagner, R. Wahl, H. D. Wang, L. 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. Wilson, G. W. Wimpenny, S. J. Wobisch, M. Wood, D. R. Wyatt, T. R. Xie, Y. Yacoob, S. Yamada, R. Yan, M. Yasuda, T. Yatsunenko, Y. A. Yip, K. Yoo, H. D. Youn, S. W. Yu, J. Zeitnitz, C. Zhao, T. Zhou, B. Zhu, J. Zielinski, M. Zieminska, D. Zieminski, A. Zivkovic, L. Zutshi, V. Zverev, E. G. CA DO Collaboration TI Search for t(t)over-bar resonances in the lepton plus jets final state in p(p)over-bar collisions at root s=1.96 TeV SO PHYSICS LETTERS B LA English DT Article ID TOP-QUARK PRODUCTION; PRODUCTION CROSS-SECTION; EVENTS; DETECTOR AB We present a search for a narrow-width heavy resonance decaying into top quark pairs (X -> t (t) over bar) in p (p) over bar collisions at root s = 1.96 TeV using approximately 0.9 fb(-1) of data collected with the DO detector at the Fermilab Tevatron Collider. This analysis considers t (t) over bar candidate events in the lepton plus jets channel with at least one identified b jet and uses the t (t) over bar invariant mass distribution to search for evidence of resonant production. We find no evidence for a narrow resonance X decaying to t (t) over bar. Therefore, we set upper limits on sigma x center dot B(X -> t (t) over bar) for different hypothesized resonance masses using a Bayesian approach. For a Topcolor-assisted technicolor model, the existence of a leptophobic Z' boson with mass M-Z' < 700 GeV and width Gamma(Z') = 0.012M(Z') can be excluded at the 95% C.L. (C) 2008 Elsevier B.V. All rights reserved. C1 [Hoeth, H.; Maettig, P.; Peters, Y.; Schliephake, T.; Vaupel, M.; Wicke, D.; Zeitnitz, C.] Univ Wuppertal, Fachbereich Phys, Wuppertal, Germany. [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. [Jesus, A. C. S. Assis; Begalli, M.; Carvalho, W.; Martins, C. De Oliveira; Luna, R.; Malbouisson, H. B.; Mundim, L.; Nogima, H.; da Silva, W. L. Prado; Rodrigues, R. F.; Santoro, A.; Sznajder, A.] Univ Estado Rio de Janeiro, BR-20550011 Rio De Janeiro, Brazil. [Gregores, E. M.] Univ Fed ABC, Santo Andre, Brazil. [Lietti, S. M.; Mercadante, P. G.; Novaes, S. 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H.; Garcia-Bellido, A.; Goussiou, A.; Lubatti, H. J.; Mal, P. K.; Watts, G.; Zhao, T.] Univ Washington, Seattle, WA 98195 USA. RP Wicke, D (reprint author), Univ Wuppertal, Fachbereich Phys, Wuppertal, Germany. EM wicke@fnal.gov RI De, Kaushik/N-1953-2013; Fisher, Wade/N-4491-2013; Alves, Gilvan/C-4007-2013; Deliot, Frederic/F-3321-2014; Sharyy, Viatcheslav/F-9057-2014; Kupco, Alexander/G-9713-2014; Christoudias, Theodoros/E-7305-2015; KIM, Tae Jeong/P-7848-2015; Sznajder, Andre/L-1621-2016; Li, Liang/O-1107-2015; Ancu, Lucian Stefan/F-1812-2010; Shivpuri, R K/A-5848-2010; Mundim, Luiz/A-1291-2012; Yip, Kin/D-6860-2013; Gutierrez, Phillip/C-1161-2011; Leflat, Alexander/D-7284-2012; Dudko, Lev/D-7127-2012; 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 OI 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; Li, Liang/0000-0001-6411-6107; Ancu, Lucian Stefan/0000-0001-5068-6723; Mundim, Luiz/0000-0001-9964-7805; Yip, Kin/0000-0002-8576-4311; Dudko, Lev/0000-0002-4462-3192; Novaes, Sergio/0000-0003-0471-8549; FU DOE; NSF (USA); CEA; CNRS/IN2P3 (France); FASI; Rosatom and 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); CFI; NSERC; WestGrid Project (Canada; BMBF; DFG (Germany); SFI (Ireland); Swedish Research Council (Sweden); CAS; CNSF (China); Alexander von Humboldt Foundation 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. NR 30 TC 41 Z9 41 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD OCT 2 PY 2008 VL 668 IS 2 BP 98 EP 104 DI 10.1016/j.physletb.2008.08.027 PG 7 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 369TG UT WOS:000260716200005 ER PT J AU Brodsky, SJ Sickles, A AF Brodsky, Stanley J. Sickles, Anne TI The baryon anomaly: Evidence for color transparency and direct hadron production at RHIC SO PHYSICS LETTERS B LA English DT Article ID PERTURBATIVE QUANTUM CHROMODYNAMICS; QUARK-GLUON PLASMA; TRANSVERSE-MOMENTUM; EXCLUSIVE PROCESSES; AU+AU COLLISIONS; QCD; COLLABORATION; PERSPECTIVE; (P)OVER-BAR; SPECTRA AB We show that the QCD color transparency of higher-twist contributions to inclusive hadroproduction cross sections, where baryons are produced directly in a short-distance subprocess, can explain several remarkable features of high-p(T) baryon production in heavy ion collisions which have recently been observed at RHIC: (a) the anomalous increase of the proton-to-pion ratio with centrality, (b) the increased power-law fall-off at fixed X-T = 2p(T) / root s of the charged particle production cross section in high centrality nuclear collisions, and (c) the anomalous decrease of the number of same-side hadrons produced in association with a proton trigger as the centrality increases. We show that correlations between opposite-side hyperons and kaons can provide a clear signature of higher-twist contributions. These phenomena emphasize the importance of understanding hadronization at the amplitude level in QCD illustrate how heavy ion collisions can provide sensitive tools for interpreting and testing fundamental properties of QCD. (C) 2008 Elsevier B.V. All rights reserved. C1 [Sickles, Anne] Brookhaven Natl Lab, Upton, NY 11973 USA. [Brodsky, Stanley J.] Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. RP Sickles, A (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM anne@bnl.gov FU Department of Energy [DE-AC02-76SF00515, DE-AC02-98CH1-886, SLAC-PUB-13224] FX We thank David Morrison, Michael Tannenbaum, and Werner Vogelsang for helpful comments. This work supported in part by the Department of Energy under contracts DE-AC02-76SF00515 (S.J.B.) and DE-AC02-98CH1-886 (A.S.). SLAC-PUB-13224. NR 38 TC 29 Z9 29 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD OCT 2 PY 2008 VL 668 IS 2 BP 111 EP 115 DI 10.1016/j.physletb.2008.07.108 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 369TG UT WOS:000260716200007 ER PT J AU Gross, F Stadler, A AF Gross, Franz Stadler, Alfred TI Is there an A(y) problem in low-energy neutron-proton scattering? SO PHYSICS LETTERS B LA English DT Article ID ANALYZING POWER AB We calculate A(y) in neutron-proton scattering for the interactions models WJC-1 and WJC-2 in the Covariant Spectator Theory. We find that the recent 12 MeV measurements performed at TUNL are in better agreement with our results than with the Nijmegen Phase Shift Analysis of 1993, and after reviewing the low-energy data, conclude that there is no A(y) problem in low-energy np scattering. (C) 2008 Elsevier B.V. All rights reserved. C1 [Gross, Franz] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Gross, Franz] Coll William & Mary, Williamsburg, VA 23187 USA. [Stadler, Alfred] Univ Evora, Dept Fis, P-7000671 Evora, Portugal. [Stadler, Alfred] Univ Lisbon, Ctr Fis Nucl, P-1649003 Lisbon, Portugal. RP Gross, F (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. EM gross@jlab.org RI Stadler, Alfred/C-5550-2009 OI Stadler, Alfred/0000-0002-9596-0770 FU Jefferson Science Associates, LLC [DE-AC05-06OR23177]; FCT [POCTI/ISFL/2/275] FX We thank W. Tornow for helpful correspondence and for providing us with the errors in Table 1. This work is supported by Jefferson Science Associates, LLC under US DOE Contract No. DE-AC05-06OR23177. A.S. was supported by FCT under grant No. POCTI/ISFL/2/275. NR 12 TC 3 Z9 3 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD OCT 2 PY 2008 VL 668 IS 2 BP 163 EP 166 DI 10.1016/j.physletb.2008.08.037 PG 4 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 369TG UT WOS:000260716200016 ER PT J AU Drake, JB Worley, P D'Azevedo, E AF Drake, John B. Worley, Pat D'Azevedo, Eduardo TI Algorithm 888: Spherical Harmonic Transform Algorithms SO ACM TRANSACTIONS ON MATHEMATICAL SOFTWARE LA English DT Article DE Algorithms; Theory; Spectral transform methods; spherical; fluid dynamics; geophysical flow; high performance computing ID MODEL; EXPANSIONS; DESIGN AB A collection of MATLAB classes for computing and using spherical harmonic transforms is presented. Methods of these classes compute differential operators on the sphere and are used to solve simple partial differential equations in a spherical geometry. The spectral synthesis and analysis algorithms using fast Fourier transforms and Legendre transforms with the associated Legendre functions are presented in detail. A set of methods associated with a spectral field class provides spectral approximation to the differential operators. del(.), del x, del, and del(2) in spherical geometry. Laplace inversion and Helmholtz equation solvers are also methods for this class. The use of the class and methods in MATLAB is demonstrated by the solution of the barotropic vorticity equation on the sphere. A survey of alternative algorithms is given and implementations for parallel high performance computers are discussed in the context of global climate and weather models. C1 [Drake, John B.; Worley, Pat; D'Azevedo, Eduardo] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Drake, JB (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, POB 2008,MS 6367, Oak Ridge, TN 37831 USA. EM drakejb@ornl.gov FU Climate Change Prediction Program, Office of Biological and Environmental Research, U. S. Department of Energy [DE-AC05-84OR21400]; Office of Advanced Scientific Computing Research; Office of Biological and Environmental Research, U. S. Department of Energy; Oak Ridge National Laboratory [DE-AC0500OR22725] FX This research at Oak Ridge National Laboratory was supported by the Climate Change Prediction Program, Office of Biological and Environmental Research, U. S. Department of Energy under contract DE-AC05-84OR21400 with UT-Battelle, Inc. This research is sponsored by the Office of Advanced Scientific Computing Research and the Office of Biological and Environmental Research, U. S. Department of Energy. The work was performed at the Oak Ridge National Laboratory, which is managed by UT-Battelle, LLC under Contract Number DE-AC0500OR22725. NR 28 TC 1 Z9 1 U1 0 U2 3 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 0098-3500 J9 ACM T MATH SOFTWARE JI ACM Trans. Math. Softw. PD OCT PY 2008 VL 35 IS 3 AR 23 DI 10.1145/1391989.1404581 PG 23 WC Computer Science, Software Engineering; Mathematics, Applied SC Computer Science; Mathematics GA 419TY UT WOS:000264243800007 ER PT J AU Xia, T Kovochich, M Liong, M Madler, L Gilbert, B Shi, HB Yeh, JI Zink, JI Nel, AE AF Xia, Tian Kovochich, Michael Liong, Monty Maedler, Lutz Gilbert, Benjamin Shi, Haibin Yeh, Joanne I. Zink, Jeffrey I. Nel, Andre E. TI Comparison of the Mechanism of Toxicity of Zinc Oxide and Cerium Oxide Nanoparticles Based on Dissolution and Oxidative Stress Properties SO ACS NANO LA English DT Article DE nanotoxicology; nanoparticle; reactive oxygen species; oxidative stress; dissolution; nanobiointerface ID EXHAUST PARTICLE CHEMICALS; FLAME SPRAY-PYROLYSIS; PERMEABILITY TRANSITION; PARTICULATE MATTER; ANTIOXIDANT DEFENSE; ENDOTHELIAL-CELLS; ENERGY-PRODUCTION; EPITHELIAL-CELLS; FUME FEVER; ZNO AB Nanomaterials (NM) exhibit novel physicochemical properties that determine their interaction with biological substrates and processes. Three metal oxide nanoparticles that are currently being produced in high tonnage, TiO2 ZnO, and CeO2 were synthesized by flame spray pyrolysis process and compared in a mechanistic study to elucidate the physicochemical characteristics that determine cellular uptake, subcellular localization, and toxic effects based on a test paradigm that was originally developed for oxidative stress and cytotoxicity in RAW 264.7 and BEAS-2B cell lines. ZnO induced toxicity in both cells, leading to the generation of reactive oxygen species (ROS), oxidant injury, excitation of inflammation, and cell death. Using ICP-MS and fluorescent-labeled ZnO, it is found that ZnO dissolution could happen in culture medium and endosomes. Nondissolved ZnO nanoparticles enter caveolae in BEAS-2B but enter lysosomes in RAW 264.7 cells in which smaller particle remnants dissolve. In contrast, fluorescent-labeled CeO2 nanoparticles were taken up intact into caveolin-1 and LAMP-1 positive endosomal compartments, respectively, in BEAS-2B and RAW 264.7 cells, without inflammation or cytotoxicity. Instead, CeO2 suppressed ROS production and induced cellular resistance to an exogenous source of oxidative stress. Fluorescent-labeled TiO2 was processed by the same uptake pathways as CeO2 but did not elicit any adverse or protective effects. These results demonstrate that metal oxide nanoparticles induce a range of biological responses that vary from cytotoxic to cytoprotective and can only be properly understood by using a tiered test strategy such as we developed for oxidative stress and adapted to study other aspects of nanoparticle toxicity. C1 [Xia, Tian; Kovochich, Michael; Nel, Andre E.] Univ Calif Los Angeles, Dept Med, Div NanoMed, Los Angeles, CA 90095 USA. [Liong, Monty; Zink, Jeffrey I.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. [Maedler, Lutz] Univ Bremen, Dept Prod Engn, Fdn Inst Mat Sci, Div Proc & Chem Engn, D-2800 Bremen, Germany. [Gilbert, Benjamin] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Shi, Haibin; Yeh, Joanne I.] Univ Pittsburgh, Sch Med, Dept Biol Struct, Pittsburgh, PA 15260 USA. [Yeh, Joanne I.] Univ Pittsburgh, Sch Med, Dept Bioengn, Pittsburgh, PA 15260 USA. [Zink, Jeffrey I.; Nel, Andre E.] Univ Calif Los Angeles, So Calif Particle Ctr, Los Angeles, CA 90095 USA. [Maedler, Lutz; Nel, Andre E.] Univ Calif Los Angeles, Calif NanoSyst Inst, Los Angeles, CA 90095 USA. RP Nel, AE (reprint author), Univ Calif Los Angeles, Dept Med, Div NanoMed, Los Angeles, CA 90095 USA. EM anel@mednet.ucla.edu RI Gilbert, Benjamin/E-3182-2010; xia, tian/C-3158-2013; Shi, Haibin/J-4008-2012; Madler, Lutz/F-2982-2013; Nel, Andre/J-2808-2012 OI xia, tian/0000-0003-0123-1305; Madler, Lutz/0000-0002-7073-0733; FU NSF; U.S. Public Health Service [U19 A1070453, RO1 ES10553, RO1 ES015498]; U.S. EPA STAR award [RD-83241301]; Southern California Particle Center; UC TSRTP; Deutsche Forschungsgemeinschaft DFG [MA3333/1-1]; AFSOR [F49620-03-1-0365]; NIH [GM066466]; NSF [CHE0507929]; DOE BES [DE-AC0205CH 11231] FX Funding for this study was provided by NSF-funded University of California Center for the Environmental Impact of Nanotechnology (UC CEIN), U.S. Public Health Service Grants U19 A1070453, RO1 ES10553, and RO1 ES015498, as well as the U.S. EPA STAR award (RD-83241301) to the Southern California Particle Center. This work is also supported by the UC Lead Campus for Nanotoxicology Training and Research, funded by UC TSR&TP. L.M. would like to thank the Deutsche Forschungsgemeinschaft DFG (German Research Foundation, Forschungsstipendium MA3333/1-1) for support, and the Department of Chemical and Biomolecular Engineering in University of California, Los Angeles, CA 90095 for hosting. Funding to J.I.Y. was provided by AFSOR (F49620-03-1-0365) and NIH (GM066466). Funding for J.12. was provided by NSF Grant CHE0507929. Fluorescent microscopy was performed at the CNSI Advanced Light Microscopy/Spectroscopy Shared Facility at UCLA. B.G. acknowledges funding from DOE BES DE-AC0205CH 11231 and thanks Joern Larsen for the ICP-MS analyses performed in the Carl Steefel laboratory at LBNL. This work has not been subjected to the EPA for peer and policy review. NR 66 TC 986 Z9 1020 U1 87 U2 660 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 OCT PY 2008 VL 2 IS 10 BP 2121 EP 2134 DI 10.1021/nn800511k PG 14 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 366SG UT WOS:000260503100021 PM 19206459 ER PT J AU Knappenberger, KL Wong, DB Xu, W Schwartzberg, AM Wolcott, A Zhang, JZ Leone, SR AF Knappenberger, Kenneth L., Jr. Wong, Daryl B. Xu, Wei Schwartzberg, Adam M. Wolcott, Abraham Zhang, Jin Z. Leone, Stephen R. TI Excitation-Wavelength Dependence of Fluorescence Intermittency in CdSe Nanorods SO ACS NANO LA English DT Article DE fluorescence intermittency; CdSe nanorod; photon antibunching; trap-state quenching; single molecule; ionic liquids ID INP QUANTUM DOTS; SEMICONDUCTOR NANOCRYSTALS; SINGLE MOLECULES; BLINKING; PHOTOLUMINESCENCE; KINETICS; LUMINESCENCE; CHARGE; MONODISPERSE; RELAXATION AB The influence of excitation wavelength and embedding media on fluorescence blinking statistics of 4 nm x 20 nm cadmium selenide(CdSe) nanorods is investigated. Photon antibunching (PAB) experiments confirm nonclassical emission from single CdSe nanorods that exhibit a radiative lifetime of 26 +/- 13 ns. The blinking data show behaviors that can be categorized into two classes: excitation near the energy of the band gap and at energies exceeding 240 meV above the band gap. Excitation at the band gap energy (lambda >= 560 nm) results in more pronounced "on" time probabilities in the distribution of "on" and "off" events, while those resulting from excitation exceeding the band gap by 240 meV or more (lambda <= 560 nm) are 200 times less likely to display continuous "on" fluorescence persisting beyond 4 s. The "off" time statistics are also sensitive to the excitation wavelength, showing a similar, but inversely correlated, effect. To understand better the excitation-wavelength dependence, fluorescence measurements are obtained for single nanorods deposited both on a bare microscope coverslip and embedded in 1-ethyl-3-methylimidizolium bis(trifluoromethylsulfonyl)imide room-temperature ionic liquid (RTIL). The embedding RTIL medium has a significant influence on the resultant fluorescence statistics only when the excitation energy exceeds the 240 meV threshold. The results are explained by a threshold to access nonemissive trap states, attributed to self-trapping of hot charge carriers at the higher photon excitation energies. C1 [Knappenberger, Kenneth L., Jr.; Wong, Daryl B.; Xu, Wei; Schwartzberg, Adam M.; Leone, Stephen R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Knappenberger, Kenneth L., Jr.; Wong, Daryl B.; Xu, Wei; Schwartzberg, Adam M.; Leone, Stephen R.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Knappenberger, Kenneth L., Jr.; Wong, Daryl B.; Xu, Wei; Schwartzberg, Adam M.; Leone, Stephen R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Wolcott, Abraham; Zhang, Jin Z.] Univ Calif Santa Cruz, Dept Chem, Santa Cruz, CA 95064 USA. [Wolcott, Abraham; Zhang, Jin Z.] Univ Calif Santa Cruz, Dept Biochem, Santa Cruz, CA 95064 USA. RP Leone, SR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM srl@berkeley.edu FU Director, Office of Basic Energy Sciences; Chemical Sciences, Geosciences, and Biosciences Division; U.S. Department of Energy [DE-AC02-05CH11231]; BES division of the Department of Energy [05ER4623A00] FX The authors gratefully acknowledge financial support by the Director, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, U.S. Department of Energy under Contract No. DE-AC02-05CH11231. JZZ. acknowledges financial support from the BES division of the Department of Energy, Grant No. 05ER4623A00. The authors also thank Thomas Huser and Samantha Fore, University of California, Davis, for assistance with photon antibunching measurements. NR 65 TC 37 Z9 37 U1 4 U2 40 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 OCT PY 2008 VL 2 IS 10 BP 2143 EP 2153 DI 10.1021/nn800421g PG 11 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 366SG UT WOS:000260503100023 PM 19206461 ER PT J AU Park, H Geiser, U Halder, GJ Schlueter, JA AF Park, Hyunsoo Geiser, Urs Halder, Gregory J. Schlueter, John A. TI Poly[mu(4)-sulfido-tris(thiocyanato-kappa N)tris(mu(3)-1,2,4-triazolato-kappa(3)N(1): N(2): N(4))tetrazinc( II)]: a three-dimensional zinc sulfide coordination polymer SO ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS LA English DT Article ID METAL-ORGANIC FRAMEWORKS; IMIDAZOLATE FRAMEWORKS; SUPERLATTICE; CHEMISTRY; LIGANDS; SYSTEM AB The title compound, [Zn(4)(C(2)H(2)N(3))(3)(NCS)(3)S](n), is a three-dimensional coordination polymer consisting of tetrahedral SZn(4) clusters bridged by triazole ligands. In the tetrahedral unit, three Zn atoms are connected to six bridging triazolate ligands, whereas the fourth Zn atom (site symmetry 3m) is bonded to three terminal thiocyanate anions that protrude into the void space created by the Zn-triazolate network. The network prototype is simple cubic, but a strong distortion along a body diagonal and the imposition of a polar direction by the arrangement of the molecular constituents lead to the trigonal space group R3m. This study demonstrates the use of the 3-mercapto-1,2,4-triazole ligand as an effective source for sulfide ions in the synthesis of sulfide-based coordination polymers. C1 [Park, Hyunsoo; Geiser, Urs; Halder, Gregory J.; Schlueter, John A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Schlueter, JA (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jaschlueter@anl.gov RI Halder, Gregory/C-5357-2013 FU US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences [DE-AC02-06CH11357] FX Work at Argonne National Laboratory is sponsored by the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences, under contract No. DE-AC02-06CH11357. NR 25 TC 2 Z9 2 U1 0 U2 4 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0108-2701 J9 ACTA CRYSTALLOGR C JI Acta Crystallogr. Sect. C-Cryst. Struct. Commun. PD OCT PY 2008 VL 64 BP M327 EP M329 DI 10.1107/S0108270108027327 PN 10 PG 3 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 355PD UT WOS:000259719900004 PM 18838762 ER PT J AU Spoonamore, JE Roberts, SA Heroux, A Bandarian, V AF Spoonamore, James E. Roberts, Sue A. Heroux, Annie Bandarian, Vahe TI Structure of a 6-pyruvoyltetrahydropterin synthase homolog from Streptomyces coelicolor SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS LA English DT Article ID 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE; PRELIMINARY CRYSTALLOGRAPHIC ANALYSIS; PROTEINS; ENZYME; CRYSTALLIZATION; PURIFICATION; EXPRESSION; MECHANISM; ALIGNMENT; ALDOLASE AB The X-ray crystal structure of the 6-pyruvoyltetrahydropterin synthase (PTPS) homolog from Streptomyces coelicolor, SCO 6650, was solved at 1.5 angstrom resolution. SCO 6650 forms a hexameric T-fold that closely resembles other PTPS proteins. The biological activity of SCO 6650 is unknown, but it lacks both a required active-site zinc metal ion and the essential catalytic triad and does not catalyze the PTPS reaction. However, SCO 6650 maintains active-site residues consistent with binding a pterin-like substrate. C1 [Spoonamore, James E.; Roberts, Sue A.; Bandarian, Vahe] Univ Arizona, Dept Biochem, Tucson, AZ 85721 USA. [Spoonamore, James E.; Roberts, Sue A.; Bandarian, Vahe] Univ Arizona, Dept Mol Biophys, Tucson, AZ 85721 USA. [Heroux, Annie] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. [Bandarian, Vahe] Univ Arizona, Dept Chem, Tucson, AZ 85721 USA. RP Bandarian, V (reprint author), Univ Arizona, Dept Biochem, Tucson, AZ 85721 USA. EM vahe@email.arizona.edu FU Offices of Biological and Environmental Research and of Basic Energy Sciences of the US Department of Energy; National Center for Research Resources of the National Institutes of Health; National Institutes of Health [GM072623, GM08804]; Burroughs Wellcome Fund FX The authors wish to thank Annie Dahlgran for cloning sco6650 and purifying some of the preparations used in this work. Reid McCarty and Alberto Rascon are acknowledged for gifts of mouse PTPS and E. coli GCH I, respectively. Data were measured on beamline X26C of the National Synchrotron Light Source (NSLS). Financial support for NSLS comes principally from the Offices of Biological and Environmental Research and of Basic Energy Sciences of the US Department of Energy and from the National Center for Research Resources of the National Institutes of Health. VB acknowledges support from the National Institutes of Health (GM072623). JES was partially supported by an NIH predoctoral training grant (GM08804). In addition, the research of VB was supported ( in part) by a Career Award in Biomedical Sciences from the Burroughs Wellcome Fund. NR 24 TC 1 Z9 1 U1 1 U2 4 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1744-3091 J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Cryst. Commun. PD OCT PY 2008 VL 64 BP 875 EP 879 DI 10.1107/S1744309108027048 PN 10 PG 5 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 359SJ UT WOS:000260008100001 PM 18931427 ER PT J AU Husseini, NS Kumah, DP Yi, JZ Torbet, CJ Arms, DA Dufresne, EM Pollock, TM Jones, JW Clarke, R AF Husseini, Naji S. Kumah, Divine P. Yi, Jian Z. Torbet, Christopher J. Arms, Dohn A. Dufresne, Eric M. Pollock, Tresa M. Jones, J. Wayne Clarke, Roy TI Mapping single-crystal dendritic microstructure and defects in nickel-base superalloys with synchrotron radiation SO ACTA MATERIALIA LA English DT Article DE Superalloy; X-ray radiography; Microstructure; Dislocations; Lattice defects ID DIRECTIONAL SOLIDIFICATION; BINARY ALLOY; GROWTH; INSTABILITIES; CASTINGS; GRAIN AB Solidification of single-crystal nickel-base superalloys introduces large-scale segregation of constituent elements and defects such as dislocations and mosaicity. By exploiting the energy tunability and interference capabilities of high-brilliance X-ray radiation, key structural features of the dendritic single crystals were mapped over large areas. Interference and diffraction of synchrotron X-rays revealed significant misorientations between individual dendrites in the as-solidified state. For the first time this mosaic structure was quantified for an array of dendrites and correlated with the density of "grown-in" dislocations whose density ranged from 10(7) to 10(8) cm(-2). Absorption contrast permitted simultaneous mapping of the distribution of refractory metal additives (e.g. rhenium and tungsten), which segregated preferentially to the dendrite cores with a linear composition gradient toward the interdendritic regions. The results demonstrate that synchrotron X-ray imaging is promising for in situ studies of single-crystal structure and defects in nickel-base superalloys. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Husseini, Naji S.; Kumah, Divine P.; Clarke, Roy] Univ Michigan, Appl Phys Program, Ann Arbor, MI 48109 USA. [Yi, Jian Z.; Torbet, Christopher J.; Pollock, Tresa M.; Jones, J. Wayne] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. [Arms, Dohn A.; Dufresne, Eric M.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Husseini, NS (reprint author), Univ Michigan, Appl Phys Program, Ann Arbor, MI 48109 USA. EM najihuss@umich.edu RI Kumah, Divine/A-7031-2011 OI Kumah, Divine/0000-0003-0715-1285 FU AFOSR-MURI Diagnosties [FA9550-05-1-0416]; DOE [DE-FG02-06ER46273]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was sponsored by AFOSR-MURI Diagnosties for Defense-Critical Advanced Materials and Processes, Award No. FA9550-05-1-0416. R.C. was supported in part by DOE Grant DE-FG02-06ER46273. Use of APS was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-06CH11357. NR 33 TC 24 Z9 27 U1 2 U2 31 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD OCT PY 2008 VL 56 IS 17 BP 4715 EP 4723 DI 10.1016/j.actamat.2008.05.041 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 364YP UT WOS:000260372100017 ER PT J AU Kannarpady, GK Bhattacharyya, A Wolverton, M Brown, DW Vogel, SC Pulnev, S AF Kannarpady, Ganesh K. Bhattacharyya, Abhijit Wolverton, Mike Brown, Donald W. Vogel, Sven C. Pulnev, Sergel TI Phase quantification during pseudoelastic cycling of Cu-13.1Al-4.0Ni (wt.%) single-crystal shape memory alloys using neutron diffraction SO ACTA MATERIALIA LA English DT Article DE Shape memory alloys (SMAs); Neutron diffraction; Phase transformations; Cyclic loading; Phase fronts ID STRESS-INDUCED TRANSFORMATIONS; NI-ALLOY; MARTENSITE; DEFORMATION; TEXTURE; STRAIN; POLYCRYSTALLINE; TEMPERATURE; BERYLLIUM; BEHAVIOR AB This paper reports on the pseudoelastic, isothermal mechanical cycling of copper-aluminium-nickel single-crystals. It was found that stress-free transformation temperatures at the end of 1000 stress cycles did not change, whereas the transformation stresses decreased by about 10%; otherwise, the overall strain of 7% imposed during a loading cycle was completely recovered at the end of 1000 cycles. Noncontact multi-video extensometry uncovered a significant spatial non-uniformity in the maximum strains attained in different sections of the wire, At the end of the 1000th cycle. the top and bottom sections demonstrated very similar maximum strains while the midsection demonstrated lower strain. Phase quantification of the midsection of the wire using neutron diffraction demonstrated an increase in the stabilization of austenite from 0% in the first cycle to about 60% in the 1000th cycle. The specific nature of the tests required by neutron diffraction also uncovered a creep-like response of the SMA. Preliminary investigation suggests that this "pseudo-creep" is due to the motion of phase fronts during the phase transformation. Neutron diffraction has also confirmed that while the single crystallinity of the SMA is excellent at 175 degrees C, there is it spread in orientation of the cubic phase at 200 degrees C with respect to the axis of the wire that is estimated at 2.17 degrees. This spread disappears/reappears on mechanical loading/unloading, but decreases permanently on cyclic loading. (C) 2008 Acta Materialia Inc. published by Elsevier Ltd. All rights reserved. C1 [Kannarpady, Ganesh K.; Bhattacharyya, Abhijit; Wolverton, Mike] Univ Arkansas, Smart Mat & MEMS Lab, Dept Appl Sci, South Univ 2801, Little Rock, AR 72204 USA. [Brown, Donald W.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Vogel, Sven C.] Los Alamos Natl Lab, Los Alamos Neutron Sci Ctr, Los Alamos, NM 87545 USA. [Pulnev, Sergel] AF Ioffe Phys Tech Inst, Dept Solid State Phys, St Petersburg, Russia. RP Bhattacharyya, A (reprint author), Univ Arkansas, Smart Mat & MEMS Lab, Dept Appl Sci, South Univ 2801, ETAS 575, Little Rock, AR 72204 USA. EM axbhattachar@ualr.edu RI Lujan Center, LANL/G-4896-2012; OI Vogel, Sven C./0000-0003-2049-0361 FU Defense Advanced Research Projects Agency (DARPA); Army Research Office (ARO) [DAAD19-02-1-0270]; US Department of Energy's Office of Basic Energy Sciences, Los Alamos National Laboratory [DE-AC52-06NA25396] FX G.K.K. and A.B. acknowledge the financial Support for this work from Defense Advanced Research Projects Agency (DARPA). The Contract (#DAAD19-02-1-0270) was administered and monitored by the Army Research Office (ARO). This work has benefited from the use of the Lujan Neutron Scattering Center at LANSCE, which is funded by the US Department of Energy's Office of Basic Energy Sciences, Los Alamos National Laboratory is operated by Los Alamos National Security LLC Under DOE Contract DE-AC52-06NA25396. The authors acknowledge the assistance of Mr. Julian Post in taking the picture shown in Fig. 18. NR 42 TC 7 Z9 7 U1 1 U2 11 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 OCT PY 2008 VL 56 IS 17 BP 4724 EP 4738 DI 10.1016/j.actamat.2008.05.028 PG 15 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 364YP UT WOS:000260372100018 ER PT J AU Bei, H Shim, S Pharr, GM George, EP AF Bei, H. Shim, S. Pharr, G. M. George, E. P. TI Effects of pre-strain on the compressive stress-strain response of Mo-alloy single-crystal micropillars SO ACTA MATERIALIA LA English DT Article DE Plastic deformation; Yield phenomena; Crystal plasticity; Size dependence; Mechanical properties ID SENSING INDENTATION EXPERIMENTS; SOLIDIFIED NIAL-MO; MECHANICAL-PROPERTIES; GRADIENT PLASTICITY; MICRO-PILLARS; THIN-FILMS; DEFORMATION; SCALE; DAMAGE; NANOINDENTATION AB A NiAl-Mo eutectic was directionally solidified to produce composites with well-aligned single-crystal Mo-alloy fibers embedded in a NiAl matrix. They were pre-strained by compressing along the fiber axis and then the matrix was etched away to expose free-standing micropillars having different sizes (360-1400 nm) and different amounts of pre-strain (0-11%). Compression testing of the pillars revealed a variety of behaviors. At one extreme were the as-grown pillars (0%, pre-strain) which behaved like dislocation-free materials. with yield stresses approaching the theoretical strength, independent of pillar size. At the other extreme were pillars pre-strained 11%, which behaved like the bulk, with reproducible stress-strain curves, relatively low yield strengths, stable work-hardening and no size dependence. At intermediate pre-strains (4-8%), the stress-strain curves were stochastic and exhibited considerable scatter in strength. This scatter decreased with increasing pre-strain and pillar size, suggesting a transition front discrete to collective dislocation behavior. (C) 2008 Acta Materialia lnc. Published by Elsevier Ltd. All rights reserved. C1 [Bei, H.; Shim, S.; Pharr, G. M.; George, E. P.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Shim, S.; Pharr, G. M.; George, E. P.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Bei, H (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM Beih@ornl.gov RI George, Easo/L-5434-2014; OI Bei, Hongbin/0000-0003-0283-7990 FU US Department of Energy: Division of Materials Sciences and Engineering; Office of FreedomCAR and Vehicle Technologies; Office of Science FX This research was sponsored by the US Department of Energy: Division of Materials Sciences and Engineering (H.B. and E.P.G.); 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 (S.S.); and the SHaRE User Facility, Division of Scientific User Facilities, Office of Science (G.M.P.). NR 40 TC 174 Z9 176 U1 5 U2 86 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 OCT PY 2008 VL 56 IS 17 BP 4762 EP 4770 DI 10.1016/j.actamat.2008.05.030 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 364YP UT WOS:000260372100021 ER PT J AU Terentyev, D Grammatikopoulos, P Bacon, DJ Osetsky, YN AF Terentyev, D. Grammatikopoulos, P. Bacon, D. J. Osetsky, Yu. N. TI Simulation of the interaction between an edge dislocation and a '100' interstitial dislocation loop in alpha-iron SO ACTA MATERIALIA LA English DT Article DE Edge dislocation; Dislocation loop; Molecular dynamics; Iron ID MOLECULAR-DYNAMICS; IRRADIATED IRON; METALS; CLUSTERS; MODEL; FE; STABILITY; MOBILITY; VOIDS; CU AB Atomic-level simulations are used to investigate the interaction of an edge dislocation with '100' interstitial dislocation loops in alpha-iron at 300 K. Dislocation reactions are studied systematically for different loop positions and Burgers vector orientations, and results are compared for two different interatomic potentials. Reactions are wide-ranging and complex, but can be described in terms of conventional dislocation reactions in which Burgers vector is conserved. The fraction of interstitials left behind after dislocation breakaway varies from 25 to 100%. The nature of the reactions requiring high applied stress for breakaway is identified. The obstacle strengths of '100' loops, 1/2'111' loops and voids containing the same number (169) of point defects are compared. (10 0) loops with Burgers vector parallel to the dislocation glide plane are slightly stronger than '100' and 1/2'111' loops with inclined Burgers vector: voids are about 30% weaker than the stronger loops. However, small voids are stronger than small 1/2'111' loops. The complexity of some reactions and the variety of obstacle strengths poses a challenge for the development of continuum models of dislocation behaviour in irradiated iron. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Terentyev, D.] Nucl Mat Sci Inst, CEN SCK, B-2400 Mol, Belgium. [Grammatikopoulos, P.; Bacon, D. J.] Univ Liverpool, Dept Engn, Liverpool L69 3GH, Merseyside, England. [Osetsky, Yu. N.] ORNL, Oak Ridge, TN 37831 USA. RP Terentyev, D (reprint author), Nucl Mat Sci Inst, CEN SCK, Boeretang 200, B-2400 Mol, Belgium. EM dterenty@sckcen.be RI Grammatikopoulos, Panagiotis/G-2511-2015 OI Grammatikopoulos, Panagiotis/0000-0002-0057-6339 FU European Commission [212175]; UK Engineering and Physical Sciences Research Council [GR/S81162/01]; PERFECT [F160-CT-2003-508840]; Division of Materials Sciences and Engineering; Office of Fusion Energy Sciences, US Department of Energy [DE-AC05-00OR22725] FX This work was performed in the framework of the 7th Framework Programme collaborative project GETMAT, partially supported by the European Commission, Grant Agreement No. 212175. It was also supported by grant GR/S81162/01 from the UK Engineering and Physical Sciences Research Council; grant F160-CT-2003-508840 ("PERFECT") under programme EURATOM FP-6 of the European Commission; and partly by the Division of Materials Sciences and Engineering and the Office of Fusion Energy Sciences, US Department of Energy, under contract DE-AC05-00OR22725 with UT-Battelle, LLC. NR 33 TC 48 Z9 48 U1 5 U2 33 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 OCT PY 2008 VL 56 IS 18 BP 5034 EP 5046 DI 10.1016/j.actamat.2008.06.032 PG 13 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 369OP UT WOS:000260704100009 ER PT J AU Xie, S George, EP AF Xie, S. George, E. P. TI Hardness and shear band evolution in bulk metallic glasses after plastic deformation and annealing SO ACTA MATERIALIA LA English DT Article DE Metallic glasses; Plastic deformation; Shear bands; Hardness; Annealing ID AMORPHOUS-ALLOYS; FREE-VOLUME; STRUCTURAL RELAXATION; MECHANICAL-PROPERTIES; POSITRON-ANNIHILATION; INDENTATION; FLOW; TEMPERATURE; BEHAVIOR; FRACTURE AB Strain-induced hardening and annealing-induced softening are typical in crystalline metals. Bulk metallic glasses (BMG) exhibit the opposite behavior, namely, strain-induced softening and annealing-induced hardening. In addition, reversible softening-hardening-softening occurs in a BMG subjected to a three-step deformation-annealing-deformation process. The hardness changes after deformation and annealing can be correlated with the shear band patterns around/underneath Vickers indents. Shear bands produced during indentation of as-cast BMG are semicircular and radial, consistent with the stress distribution beneath the indenter. In contrast, the shear bands in the pre-strained BMG are irregular and convoluted, and appear to be a mixture of the shear bands produced during the prior compression and those in the as-cast BMG. After annealing, the shear bands tend to recover their semicircular and radial shapes consistent with the annealing-induced hardening. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Xie, S.; George, E. P.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [George, E. P.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP George, EP (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM georgeep@ornl.gov RI George, Easo/L-5434-2014 FU Division of Materials Sciences and Engineering, Office of Basic Energy Sciences; US Department of Energy [DE-AC05-00OR22725] FX This research was sponsored by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, US Department of Energy, under contract DE-AC05-00OR22725 with UT-Battelle, LLC. The authors are grateful to George Pharr for letting them use his interference optical microscope, and to Sanghoon Shim for AFM training (SX). NR 37 TC 69 Z9 70 U1 4 U2 45 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 OCT PY 2008 VL 56 IS 18 BP 5202 EP 5213 DI 10.1016/j.actamat.2008.07.009 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 369OP UT WOS:000260704100026 ER PT J AU Maziasz, PJ Shingledecker, JR Evans, ND Pollard, MJ AF Maziasz, Philip J. Shingledecker, John R. Evans, Neal D. Pollard, Michael J. TI CF8C-Plus heat-resistant cast stainless steel SO ADVANCED MATERIALS & PROCESSES LA English DT Article C1 [Maziasz, Philip J.; Shingledecker, John R.; Evans, Neal D.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Pollard, Michael J.] Caterpillar Tech Ctr, Peoria, IL USA. RP Maziasz, PJ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RI Evans, Neal/F-5955-2011; OI Maziasz, Philip/0000-0001-8207-334X FU CRADA; U.S. Department of Energy [DE-AC05-00OR22725] FX This research was sponsored through a CRADA with Caterpillar Inc., and sponsored by the U.S. Department of Energy, Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies, as part of the Propulsion Materials Program, under contract DE-AC05-00OR22725 with UT-Battelle, LLC. NR 3 TC 7 Z9 7 U1 0 U2 7 PU ASM INT PI MATERIALS PARK PA SUBSCRIPTIONS SPECIALIST CUSTOMER SERVICE, MATERIALS PARK, OH 44073-0002 USA SN 0882-7958 J9 ADV MATER PROCESS JI Adv. Mater. Process. PD OCT PY 2008 VL 166 IS 10 BP 27 EP 29 PG 3 WC Materials Science, Multidisciplinary SC Materials Science GA 355WB UT WOS:000259738800003 ER PT J AU Nyberg, EA Luo, AA Sadayappan, K Shi, WF AF Nyberg, Eric A. Luo, Alan A. Sadayappan, Kumar Shi, Wenfang TI Magnesium for future autos SO ADVANCED MATERIALS & PROCESSES LA English DT Article C1 [Nyberg, Eric A.] Pacific NW Natl Lab, Dept Energy, Richland, WA 99352 USA. [Luo, Alan A.] Gen Motors R&D Ctr, Troy, MI USA. [Sadayappan, Kumar] Canada Ctr Mineral & Energy Technol, Mat Technol Lab, Ottawa, ON, Canada. RP Nyberg, EA (reprint author), Pacific NW Natl Lab, Dept Energy, Richland, WA 99352 USA. EM Eric.Nyberg@pnl.gov; cdan.luo@gm.com; ksadayap@NRCan.gc.ca; wfshi@chinamg.org RI Luo, Alan/J-4990-2012; Luo, Alan/G-9352-2013 NR 6 TC 23 Z9 23 U1 0 U2 7 PU ASM INT PI MATERIALS PARK PA SUBSCRIPTIONS SPECIALIST CUSTOMER SERVICE, MATERIALS PARK, OH 44073-0002 USA SN 0882-7958 J9 ADV MATER PROCESS JI Adv. Mater. Process. PD OCT PY 2008 VL 166 IS 10 BP 35 EP 37 PG 3 WC Materials Science, Multidisciplinary SC Materials Science GA 355WB UT WOS:000259738800006 ER PT J AU Pozzi, G Quici, S Fish, RH AF Pozzi, Gianluca Quici, Silvio Fish, Richard H. TI Perfluorocarbon Soluble Crown Ethers as Phase Transfer Catalysts SO ADVANCED SYNTHESIS & CATALYSIS LA English DT Article DE crown compounds; fluoroponytails; Heck reaction; nucleophilic substitution; oxidation; phase-transfer catalysis ID METAL-COMPLEXES; DIBENZO-18-CROWN-6; SALT; SUBSTITUTION; SEPARATION; EFFICIENT; SOLVENTS AB Fluorous derivatives of dibenzo-18-crown-6 ether were readily prepared by means of metal-catalyzed cross-coupling reactions, and then successfully applied as catalysts in representative solid-liquid phase transfer catalysis (PTC) reactions, which were performed in standard organic solvents, such as chlorobenzene and toluene, and also in fluorous solvents, such as perfluoro-1,3-dimethylcyclohexane (PFDMC). It was clearly shown that properly designed fluoroponytailed crown ethers can promote the disintegration of the crystal lattice of alkali salts and transfer anions from the solid surface into an apolar, non-coordinating perfluorocarbon phase. Far from being a simple chemical curiosity, this unprecedented observation has relevant implications in the design of PTC scenarios of wide applicability. This new paradigm represents an advance in crown ether chemistry, and their use as recyclable phase transfer catalysts. C1 [Pozzi, Gianluca; Quici, Silvio] CNR, Ist Sci & Tecnol Mol, I-20133 Milan, Italy. [Fish, Richard H.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Pozzi, G (reprint author), CNR, Ist Sci & Tecnol Mol, Via Golgi 19, I-20133 Milan, Italy. EM gianluca.pozzi@istm.cnr.it; rhfish@lbl.gov RI Pozzi, Gianluca/G-1499-2011 OI Pozzi, Gianluca/0000-0002-1469-9284 FU CNR; US Department of Energy [DE AC03-76SF00098] FX Support by CNR (G.P., S.Q.) and by the US Department of Energy under Contract No DE AC03-76SF00098 (R.H.E) is gratefully acknowledged. NR 38 TC 19 Z9 20 U1 1 U2 20 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1615-4150 J9 ADV SYNTH CATAL JI Adv. Synth. Catal. PD OCT PY 2008 VL 350 IS 14-15 BP 2425 EP 2436 DI 10.1002/adsc.200800393 PG 12 WC Chemistry, Applied; Chemistry, Organic SC Chemistry GA 370KI UT WOS:000260760700037 ER PT J AU Xiao, JF Zhuang, QL Baldocchi, DD Law, BE Richardson, AD Chen, JQ Oren, R Starr, G Noormets, A Ma, SY Verma, SB Wharton, S Wofsy, SC Bolstad, PV Burns, SP Cook, DR Curtis, PS Drake, BG Falk, M Fischer, ML Foster, DR Gu, LH Hadley, JL Hollinger, DY Katul, GG Litvak, M Martin, TA Matamala, R McNulty, S Meyers, TP Monson, RK Munger, JW Oechel, WC U, KTP Schmid, HP Scott, RL Sun, G Suyker, AE Torn, MS AF Xiao, Jingfeng Zhuang, Qianlai Baldocchi, Dennis D. Law, Beverly E. Richardson, Andrew D. Chen, Jiquan Oren, Ram Starr, Gregory Noormets, Asko Ma, Siyan Verma, Shashi B. Wharton, Sonia Wofsy, Steven C. Bolstad, Paul V. Burns, Sean P. Cook, David R. Curtis, Peter S. Drake, Bert G. Falk, Matthias Fischer, Marc L. Foster, David R. Gu, Lianhong Hadley, Julian L. Hollinger, David Y. Katul, Gabriel G. Litvak, Marcy Martin, Timothy A. Matamala, Roser McNulty, Steve Meyers, Tilden P. Monson, Russell K. Munger, J. William Oechel, Walter C. U, Kyaw Tha Paw Schmid, Hans Peter Scott, Russell L. Sun, Ge Suyker, Andrew E. Torn, Margaret S. TI Estimation of net ecosystem carbon exchange for the conterminous United States by combining MODIS and AmeriFlux data SO AGRICULTURAL AND FOREST METEOROLOGY LA English DT Review DE Net ecosystem carbon exchange; MODIS; AmeriFlux; NEE; Regression tree; Eddy covariance ID GROSS PRIMARY PRODUCTION; EDDY-COVARIANCE MEASUREMENTS; VEGETATION WATER-CONTENT; LIGHT-USE EFFICIENCY; LEAF-AREA INDEX; PONDEROSA PINE; DECIDUOUS FOREST; DIOXIDE EXCHANGE; ATMOSPHERIC CO2; OLD-GROWTH AB Eddy covariance flux towers provide continuous measurements of net ecosystem carbon exchange (NEE) for a wide range of climate and biome types. However, these measurements only represent the carbon fluxes at the scale of the tower footprint. To quantify the net exchange of carbon dioxide between the terrestrial biosphere and the atmosphere for regions or continents, flux tower measurements need to be extrapolated to these large areas. Here we used remotely sensed data from the Moderate Resolution Imaging Spectrometer (MODIS) instrument on board the National Aeronautics and Space Administration's (NASA) Terra satellite to scale up AmeriFlux NEE measurements to the continental scale. We first combined MODIS and AmeriFlux data for representative U.S. ecosystems to develop a predictive NEE model using a modified regression tree approach. The predictive model was trained and validated using eddy flux NEE data over the periods 2000-2004 and 2005-2006, respectively. We found that the model predicted NEE well (r = 0.73, p < 0.001). We then applied the model to the continental scale and estimated NEE for each 1 km x 1 km cell across the conterminous U.S. for each 8-day interval in 2005 using spatially explicit MODIS data. The model generally captured the expected spatial and seasonal patterns of NEE as deter-mined from measurements and the literature. Our study demonstrated that our empirical approach is effective for scaling up eddy flux NEE measurements to the continental scale and producing wall-to-wall NEE estimates across multiple biomes. Our estimates may provide an independent dataset from simulations with biogeochemical models and inverse modeling approaches for examining the spatiotemporal patterns of NEE and constraining terrestrial carbon budgets over large areas. (c) 2008 Elsevier B.V. All rights reserved. C1 [Xiao, Jingfeng] Purdue Univ, Dept Earth & Atmospher Sci, Purdue Climate Change Res Ctr, W Lafayette, IN 47907 USA. [Zhuang, Qianlai] Purdue Univ, Dept Agron, Purdue Climate Change Res Ctr, Dept Earth & Atmospher Sci, W Lafayette, IN 47907 USA. [Baldocchi, Dennis D.; Ma, Siyan] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Ecosyst Sci Div, Berkeley, CA 94720 USA. [Law, Beverly E.] Oregon State Univ, Coll Forestry, Corvallis, OR 97331 USA. [Richardson, Andrew D.] Univ New Hampshire, Inst Study Earth Oceans & Space, Complex Syst Res Ctr, Durham, NH 03824 USA. [Chen, Jiquan] Univ Toledo, Dept Environm Sci, Toledo, OH 43606 USA. [Oren, Ram] Duke Univ, Nicholas Sch Environm, Durham, NC 27708 USA. [Starr, Gregory] Univ Alabama, Dept Biol Sci, Tuscaloosa, AL 35487 USA. [Noormets, Asko] N Carolina State Univ, Dept Forestry & Environm Resources, Raleigh, NC 27695 USA. [Noormets, Asko] N Carolina State Univ, So Global Change Program, Raleigh, NC 27695 USA. [Verma, Shashi B.; Suyker, Andrew E.] Univ Nebraska, Sch Nat Resources, Lincoln, NE 68583 USA. [Wharton, Sonia; Falk, Matthias; U, Kyaw Tha Paw] Univ Calif Davis, Dept Land Air & Water Resources, Davis, CA 95616 USA. [Wofsy, Steven C.] Harvard Univ, Dept Earth & Planetary Sci, Div Engn & Appl Sci, Cambridge, MA 02138 USA. [Bolstad, Paul V.] Univ Minnesota, Dept Forest Resources, St Paul, MN 55108 USA. [Burns, Sean P.; Monson, Russell K.] Univ Colorado, Dept Ecol & Evolutionary Biol, Boulder, CO 80309 USA. [Cook, David R.] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA. [Curtis, Peter S.] Ohio State Univ, Dept Ecol Evolut & Organismal Biol, Columbus, OH 43210 USA. [Drake, Bert G.] Smithsonian Environm Res Ctr, Edgewater, MD 21037 USA. [Fischer, Marc L.] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Atmospher Sci, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Foster, David R.] Harvard Univ, Harvard Forest & Dept Organism & Evolutionary Bio, Petersham, MA 01366 USA. [Gu, Lianhong] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Hadley, Julian L.] Harvard Univ, Petersham, MA 01366 USA. [Hollinger, David Y.] US Forest Serv, USDA, NE Res Stn, Durham, NH 03824 USA. [Litvak, Marcy] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. [Martin, Timothy A.] Univ Florida, Gainesville, FL 32611 USA. [Matamala, Roser] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [McNulty, Steve; Sun, Ge] US Forest Serv, USDA, So Res Stn, Raleigh, NC 27606 USA. [Meyers, Tilden P.] NOAA, ARL, Atmospher Turbulence & Diffus Div, Oak Ridge, TN 37831 USA. [Munger, J. William] Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA. [Oechel, Walter C.] San Diego State Univ, Dept Biol, San Diego, CA 92182 USA. [Schmid, Hans Peter] Indiana Univ, Dept Geog, Bloomington, IN 47405 USA. [Schmid, Hans Peter] Res Ctr Karlsruhe FZK IMK IFU, Inst Meteorol & Climate Res, D-82467 Garmisch Partenkirchen, Germany. [Scott, Russell L.] USDA, ARS, SW Watershed Res Ctr, Tucson, AZ 85719 USA. [Torn, Margaret S.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Xiao, JF (reprint author), Penn State Univ, Dept Meteorol, State Coll, 503 Walker Bldg, University Pk, PA 16802 USA. EM jing@psu.edu RI Munger, J/H-4502-2013; Gu, Lianhong/H-8241-2014; Burns, Sean/A-9352-2008; Zhuang, Qianlai/A-5670-2009; Noormets, Asko/A-7257-2009; Chen, Jiquan/D-1955-2009; Katul, Gabriel/A-7210-2008; Richardson, Andrew/F-5691-2011; Hollinger, David/G-7185-2012; Schmid, Hans Peter/I-1224-2012; Oechel, Walter/F-9361-2010; Garmisch-Pa, Ifu/H-9902-2014; Baldocchi, Dennis/A-1625-2009; Torn, Margaret/D-2305-2015; Meyers, Tilden/C-6633-2016 OI Munger, J/0000-0002-1042-8452; Gu, Lianhong/0000-0001-5756-8738; Law, Beverly/0000-0002-1605-1203; Martin, Timothy/0000-0002-7872-4194; Burns, Sean/0000-0002-6258-1838; Noormets, Asko/0000-0003-2221-2111; Katul, Gabriel/0000-0001-9768-3693; Richardson, Andrew/0000-0002-0148-6714; Schmid, Hans Peter/0000-0001-9076-4466; Oechel, Walter/0000-0002-3504-026X; Baldocchi, Dennis/0000-0003-3496-4919; FU National Science Foundation (NSF) Carbon and Water Program [EAR-0630319]; U.S. Department of Energy Biological and Environmental Research, Terrestrial Carbon Program [DE-FG02-04ER63917]; Office of Science, U.S. Department of Energy, through the Midwestern Regional Center of the National Institute for Global Environmental Change [DE-FC03-90ER610100] FX The work of J. Xiao and Q. Zhuang was partly funded by the National Science Foundation (NSF) Carbon and Water Program (EAR-0630319). We thank the U.S. Department of Energy Biological and Environmental Research, Terrestrial Carbon Program (Award #DE-FG02-04ER63917) for funding Dr. B.E. Law to develop the AmeriFlux network protocols and database design for the network, and the Office of Science, U.S. Department of Energy, through the Midwestern Regional Center of the National Institute for Global Environmental Change under Cooperative Agreements No. DE-FC03-90ER610100 for funding P.S. Curtis. We thank the principal investigators of the MODIS data products including A.R. Huete, Z. Wan, R.B. Myneni, and E.F. Vermote and other contributors as well as the Oak Ridge National Laboratory (ORNL), Distributed Active Archive Center (DAAC), and the Earth Observing System (EOS) Data Gateway for making these products available. We also thank T.A. Boden at the Carbon Dioxide information Analysis Center, ORNL, S.K.S. Vannan at the ORNL DACC, M. Zhao at the University of Montana, and Z. Wan at the University of California, Santa Barbara, for helpful discussion about AmeriFlux data, MODIS ASCII subsets, MODIS Quality Assurance (QA) flags, and MODIS LST, respectively. The PRISM climate database was provided by the PRISM Group, Oregon State University (http:// www.prismclimate.org). Computing support was provided by the Rosen Center for Advanced Computing, Purdue University. NR 106 TC 107 Z9 112 U1 6 U2 88 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-1923 J9 AGR FOREST METEOROL JI Agric. For. Meteorol. PD OCT PY 2008 VL 148 IS 11 BP 1827 EP 1847 DI 10.1016/j.agrformet.2008.06.015 PG 21 WC Agronomy; Forestry; Meteorology & Atmospheric Sciences SC Agriculture; Forestry; Meteorology & Atmospheric Sciences GA 378DJ UT WOS:000261301100014 ER PT J AU Bichon, BJ Eldred, MS Swiler, LP Mahadevan, S McFarland, JM AF Bichon, B. J. Eldred, M. S. Swiler, L. P. Mahadevan, S. McFarland, J. M. TI Efficient Global Reliability Analysis for Nonlinear Implicit Performance Functions SO AIAA JOURNAL LA English DT Article ID STRUCTURAL RELIABILITY; APPROXIMATIONS; OPTIMIZATION; PROBABILITY AB Many engineering applications are characterized by implicit response functions that are expensive to evaluate and sometimes nonlinear in their behavior, making reliability analysis difficult. This paper develops an efficient reliability analysis method that accurately characterizes the limit state throughout the random variable space. The method begins with a Gaussian process model built from a very small number of samples, and then adaptively chooses where to generate subsequent samples to ensure that the model is accurate in the vicinity of the limit state. The resulting Gaussian process model is then sampled using multimodal adaptive importance sampling to calculate the probability of exceeding (or failing to exceed) the response level of interest. By locating multiple points on or near the limit state, more complex and nonlinear limit states can be modeled, leading to more accurate probability integration. By concentrating the samples in the area where accuracy is important (i.e., in the vicinity of the limit state), only a small number of true function evaluations are required to build a quality surrogate model. The resulting method is both accurate for any arbitrarily shaped limit state and computationally efficient even for expensive response functions. This new method is applied to a collection of example problems including one that analyzes the reliability of a microelectromechanical system device that current available methods have difficulty solving either accurately or efficiently. C1 [Bichon, B. J.; Mahadevan, S.] Vanderbilt Univ, Dept Civil & Environm Engn, Nashville, TN 37235 USA. [Eldred, M. S.; Swiler, L. P.] Sandia Natl Labs, Optimizat & Uncertainty Estimat Dept, Albuquerque, NM 87185 USA. [McFarland, J. M.] Vanderbilt Univ, Dept Mech Engn, Nashville, TN 37235 USA. RP Bichon, BJ (reprint author), Vanderbilt Univ, Dept Civil & Environm Engn, Nashville, TN 37235 USA. FU National Science Foundation [013429]; Sandia National Laboratories FX This Study was partially supported by funds from the National Science Foundation, through the Integrative Graduate Education and Research Traineeship multidisciplinary doctoral pro-ram in Risk and Reliability Engineering at Vanderbilt University (Grant No. 013429). The authors would also like to express their gratitude to the Sandia Computer Science Research Institute for support of this collaborative work with Sandia National Laboratories. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of NR 37 TC 106 Z9 118 U1 5 U2 27 PU AMER INST AERONAUT ASTRONAUT PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091-4344 USA SN 0001-1452 J9 AIAA J JI AIAA J. PD OCT PY 2008 VL 46 IS 10 BP 2459 EP 2468 DI 10.2514/1.34321 PG 10 WC Engineering, Aerospace SC Engineering GA 358GZ UT WOS:000259906400007 ER PT J AU Salazar-Gonzalez, JF Salazar, MG Learn, GH Decker, JM Keele, BF Wang, S Li, H Baalwa, J Cohen, MS Haynes, BF Yue, L Karita, E Mulenga, J Allen, S Hunter, E Giorgi, EE Gaschen, B Korber, BT Hahn, BH Shaw, GM AF Salazar-Gonzalez, J. F. Salazar, M. G. Learn, G. H. Decker, J. M. Keele, B. F. Wang, S. Li, H. Baalwa, J. Cohen, M. S. Haynes, B. F. Yue, L. Karita, E. Mulenga, J. Allen, S. Hunter, E. Giorgi, E. E. Gaschen, B. Korber, B. T. Hahn, B. H. Shaw, G. M. TI Identification of Transmitted/Founder Complete HIV-1 Genomes in Subjects with Acute HIV-1 Infection SO AIDS RESEARCH AND HUMAN RETROVIRUSES LA English DT Meeting Abstract CT AIDS Vaccine 2008 Conference CY OCT 13-16, 2008 CL Cape Town, SOUTH AFRICA SP NIAID, Div AIDS, NIH, Div AIDS C1 [Salazar-Gonzalez, J. F.; Salazar, M. G.; Learn, G. H.; Decker, J. M.; Keele, B. F.; Wang, S.; Li, H.; Baalwa, J.; Hahn, B. H.; Shaw, G. M.] Univ Alabama, Birmingham, AL USA. [Cohen, M. S.] Univ N Carolina, Chapel Hill, NC USA. [Haynes, B. F.] Duke Univ, Durham, NC USA. [Yue, L.; Allen, S.; Hunter, E.] Emory Univ, Atlanta, GA 30322 USA. [Karita, E.] Rwanda Zambia HIV Res Grp, PSF, Kigali City, Rwanda. [Mulenga, J.] Zambia Emory HIV Res Grp, Lusaka, Zambia. [Giorgi, E. E.; Gaschen, B.; Korber, B. T.] Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 2 U2 3 PU MARY ANN LIEBERT INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 0889-2229 J9 AIDS RES HUM RETROV JI Aids Res. Hum. Retrovir. PD OCT PY 2008 VL 24 BP 4 EP 5 PG 2 WC Immunology; Infectious Diseases; Virology SC Immunology; Infectious Diseases; Virology GA 367CT UT WOS:000260530800007 ER PT J AU Liu, MK Ferrari, G Salazar, J Keele, B Tanner, RL Turnbull, E Mlotshwa, M Treurnicht, F Hahn, B Korber, BT De Boer, C Williams, A Gray, C Williamson, C Cohen, M Borrow, P Weinhold, K Shaw, G Goonetilleke, N McMichael, AJ AF Liu, M. K. Ferrari, G. Salazar, J. Keele, B. Tanner, R. L. Turnbull, E. Mlotshwa, M. Treurnicht, F. Hahn, B. Korber, B. T. De Boer, C. Williams, A. Gray, C. Williamson, C. Cohen, M. Borrow, P. Weinhold, K. Shaw, G. Goonetilleke, N. McMichael, A. J. CA Core B Univ North Carolina Duke Re TI T Cell Escape in Subjects with Acute HIV-1 Infection SO AIDS RESEARCH AND HUMAN RETROVIRUSES LA English DT Meeting Abstract CT AIDS Vaccine 2008 Conference CY OCT 13-16, 2008 CL Cape Town, SOUTH AFRICA SP NIAID, Div AIDS, NIH, Div AIDS C1 [Liu, M. K.; Tanner, R. L.; Goonetilleke, N.; McMichael, A. J.] Univ Oxford, Oxford, England. [Ferrari, G.] Duke Univ, Durham, NC USA. [Salazar, J.; Hahn, B.; Shaw, G.] Univ Alabama, Birmingham, AL USA. [Mlotshwa, M.; Gray, C.] Natl Inst Communicable Dis, Johannesburg, Gauteng, South Africa. [Treurnicht, F.; Williamson, C.] Univ Cape Town, ZA-7925 Cape Town, Western Cape, South Africa. [Korber, B. T.] Los Alamos Natl Lab, Los Alamos, NM USA. [De Boer, C.; Williams, A.] Fred Hutchinson Canc Res Ctr, Seattle, WA 98104 USA. [Cohen, M.] Univ N Carolina, Chapel Hill, NC USA. [Weinhold, K.; Core B Univ North Carolina Duke Re] Duke Univ, Durham, NC USA. [Turnbull, E.; Borrow, P.] Jenner Inst, Compton, Berks, England. NR 0 TC 3 Z9 3 U1 0 U2 2 PU MARY ANN LIEBERT INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 0889-2229 J9 AIDS RES HUM RETROV JI Aids Res. Hum. Retrovir. PD OCT PY 2008 VL 24 BP 6 EP 7 PG 2 WC Immunology; Infectious Diseases; Virology SC Immunology; Infectious Diseases; Virology GA 367CT UT WOS:000260530800012 ER PT J AU Rosario, M Letourneau, S Im, E Yang, H Dorrell, L Korber, B McMichael, A Hanke, T AF Rosario, M. Letourneau, S. Im, E. Yang, H. Dorrell, L. Korber, B. McMichael, A. Hanke, T. TI Development of a Universal T Cell Vaccine SO AIDS RESEARCH AND HUMAN RETROVIRUSES LA English DT Meeting Abstract CT AIDS Vaccine 2008 Conference CY OCT 13-16, 2008 CL Cape Town, SOUTH AFRICA SP NIAID, Div AIDS, NIH, Div AIDS C1 [Rosario, M.; Letourneau, S.; Im, E.; Yang, H.; Dorrell, L.; Korber, B.; McMichael, A.] Los Alamos Natl Lab, Los Alamos, NM USA. [Hanke, T.] Univ Oxford, Oxford, England. NR 0 TC 0 Z9 0 U1 0 U2 0 PU MARY ANN LIEBERT INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 0889-2229 J9 AIDS RES HUM RETROV JI Aids Res. Hum. Retrovir. PD OCT PY 2008 VL 24 BP 9 EP 9 PG 1 WC Immunology; Infectious Diseases; Virology SC Immunology; Infectious Diseases; Virology GA 367CT UT WOS:000260530800018 ER PT J AU Abrahams, MH Anderson, J Ping, L Seoighe, C Giorgi, EE Wood, N Mlisana, K Galvin, S Mapanje, C Thebus, R Fiscus, SA Cohen, MS Shaw, G Haynes, BF Karim, SSA Korber, BT Hahn, BH Swanstrom, R Williamson, C AF Abrahams, M. H. Anderson, J. Ping, L. Seoighe, C. Giorgi, E. E. Wood, N. Mlisana, K. Galvin, S. Mapanje, C. Thebus, R. Fiscus, S. A. Cohen, M. S. Shaw, G. Haynes, B. F. Karim, S. S. Abdool Korber, B. T. Hahn, B. H. Swanstrom, R. Williamson, C. CA CAPRISA 002 Acute Infection Study Team CHAVI Ctr HIV-AIDS Vaccine TI Characterisation of the Genetic Bottle-Neck in HIV-1 Subtype C, Heterosexually Infected Men and Women from Malawi and South Africa SO AIDS RESEARCH AND HUMAN RETROVIRUSES LA English DT Meeting Abstract CT AIDS Vaccine 2008 Conference CY OCT 13-16, 2008 CL Cape Town, SOUTH AFRICA SP NIAID, Div AIDS, NIH, Div AIDS C1 [Abrahams, M. H.; Seoighe, C.; Wood, N.; Thebus, R.; Williamson, C.] Univ Cape Town, ZA-7925 Cape Town, Western Cape, South Africa. [Anderson, J.; Ping, L.; Galvin, S.; Fiscus, S. A.; Cohen, M. S.; Swanstrom, R.] Univ N Carolina, Chapel Hill, NC USA. [Giorgi, E. E.; Korber, B. T.] Los Alamos Natl Lab, Los Alamos, NM USA. [Mlisana, K.] Univ Kwazulu Natal, Durban, Kwazulu Natal, South Africa. [Mapanje, C.] Kamuzu Cent Hosp, Lilongwe, Malawi. [Shaw, G.; Hahn, B. H.] Univ Alabama Birmingham, Birmingham, AL USA. [Haynes, B. F.; CHAVI Ctr HIV-AIDS Vaccine] Duke Univ, Med Ctr, Duke Human Vaccine Inst, Durham, NC USA. [Karim, S. S. Abdool; CAPRISA 002 Acute Infection Study Team] Univ Kwazulu Natal, CAPRISA, Durban, Kwazulu Natal, South Africa. NR 0 TC 0 Z9 0 U1 0 U2 0 PU MARY ANN LIEBERT, INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 0889-2229 J9 AIDS RES HUM RETROV JI Aids Res. Hum. Retrovir. PD OCT PY 2008 VL 24 SU 1 BP 35 EP 35 PG 1 WC Immunology; Infectious Diseases; Virology SC Immunology; Infectious Diseases; Virology GA 367CT UT WOS:000260530800081 ER PT J AU Kulkarni, SS Lapedes, A Tang, H Gnanakaran, G Daniels, MG Zhang, M Li, M Polonis, VR McCutchan, FE Morris, L Ellenberger, D Butera, ST Bollinger, RC Korber, BT Paranjape, RS Montefiori, DC AF Kulkarni, S. S. Lapedes, A. Tang, H. Gnanakaran, G. Daniels, M. G. Zhang, M. Li, M. Polonis, V. R. McCutchan, F. E. Morris, L. Ellenberger, D. Butera, S. T. Bollinger, R. C. Korber, B. T. Paranjape, R. S. Montefiori, D. C. TI Highly Complex Neutralization Determinants on a Monophyletic Lineage of Newly Transmitted Subtype C HIV-1 Env Clones from India SO AIDS RESEARCH AND HUMAN RETROVIRUSES LA English DT Meeting Abstract CT AIDS Vaccine 2008 Conference CY OCT 13-16, 2008 CL Cape Town, SOUTH AFRICA SP NIAID, Div AIDS, NIH, Div AIDS C1 [Kulkarni, S. S.; Paranjape, R. S.] Natl AIDS Res Inst, Pune, Maharashtra, India. [Lapedes, A.; Gnanakaran, G.; Daniels, M. G.; Zhang, M.; Korber, B. T.] Los Alamos Natl Lab, Los Alamos, NM USA. [Tang, H.; Li, M.; Montefiori, D. C.] Duke Univ, Med Ctr, Durham, NC USA. [Polonis, V. R.; McCutchan, F. E.; Bollinger, R. C.] Walter Reed Army Inst Res, Rockville, MD USA. [Morris, L.] Natl Inst Communicable Dis, Johannesburg, South Africa. [Ellenberger, D.; Butera, S. T.] Ctr Dis Control & Prevent, Atlanta, GA USA. Johns Hopkins Sch Med, Baltimore, MD USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU MARY ANN LIEBERT INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 0889-2229 J9 AIDS RES HUM RETROV JI Aids Res. Hum. Retrovir. PD OCT PY 2008 VL 24 BP 48 EP 49 PG 2 WC Immunology; Infectious Diseases; Virology SC Immunology; Infectious Diseases; Virology GA 367CT UT WOS:000260530800117 ER PT J AU Lynch, RM Rong, R Shen, T Honnen, W Mulenga, J Allen, S Blackwell, JL Zolla-Pazner, S Pinter, A Gnanakaran, S Hunter, E Derdeyn, CA AF Lynch, R. M. Rong, R. Shen, T. Honnen, W. Mulenga, J. Allen, S. Blackwell, J. L. Zolla-Pazner, S. Pinter, A. Gnanakaran, S. Hunter, E. Derdeyn, C. A. TI Conservation of a Hydrophobic Residue in the Envelope V3 Domain could Contribute to Immune Avoidance in Subtype C HIV-1 SO AIDS RESEARCH AND HUMAN RETROVIRUSES LA English DT Meeting Abstract CT AIDS Vaccine 2008 Conference CY OCT 13-16, 2008 CL Cape Town, SOUTH AFRICA SP NIAID, Div AIDS, NIH, Div AIDS C1 [Lynch, R. M.; Rong, R.; Allen, S.; Blackwell, J. L.; Hunter, E.; Derdeyn, C. A.] Emory Univ, Atlanta, GA 30322 USA. [Shen, T.; Gnanakaran, S.] Los Alamos Natl Lab, Los Alamos, NM USA. [Honnen, W.; Pinter, A.] Univ Med & Dent New Jersey, New Jersey Med Sch, Publ Hlth Res Inst, Newark, NJ 07103 USA. [Mulenga, J.] Zambia Blood Transfus Serv, Lusaka, Emmasdale, Zambia. [Zolla-Pazner, S.] NYU, Sch Med, New York, NY USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU MARY ANN LIEBERT INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 0889-2229 J9 AIDS RES HUM RETROV JI Aids Res. Hum. Retrovir. PD OCT PY 2008 VL 24 BP 51 EP 51 PG 1 WC Immunology; Infectious Diseases; Virology SC Immunology; Infectious Diseases; Virology GA 367CT UT WOS:000260530800123 ER PT J AU Gnanakaran, G Zhang, M Shen, T Lynch, R Leitner, T Derdeyn, C Korber, B AF Gnanakaran, G. Zhang, M. Shen, T. Lynch, R. Leitner, T. Derdeyn, C. Korber, B. TI Structural Alterations of a Vaccine Target: Clade Specific Differences and Immune Escape of gp120 SO AIDS RESEARCH AND HUMAN RETROVIRUSES LA English DT Meeting Abstract CT AIDS Vaccine 2008 Conference CY OCT 13-16, 2008 CL Cape Town, SOUTH AFRICA SP NIAID, Div AIDS, NIH, Div AIDS C1 [Gnanakaran, G.; Zhang, M.; Shen, T.; Leitner, T.; Korber, B.] Los Alamos Natl Labs, Los Alamos, NM USA. [Lynch, R.; Derdeyn, C.] Emory Vaccine Ctr, Atlanta, GA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU MARY ANN LIEBERT INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 0889-2229 J9 AIDS RES HUM RETROV JI Aids Res. Hum. Retrovir. PD OCT PY 2008 VL 24 BP 59 EP 59 PG 1 WC Immunology; Infectious Diseases; Virology SC Immunology; Infectious Diseases; Virology GA 367CT UT WOS:000260530800145 ER PT J AU Belair, M Dovat, M Foley, BT Mayerat, C Pantaleo, G Graziosi, C AF Belair, M. Dovat, M. Foley, B. T. Mayerat, C. Pantaleo, G. Graziosi, C. TI V4 Regions from Different gp120 Molecules Are Characterized by Individual Glycan Patterns in the Same HIV Infected Patient SO AIDS RESEARCH AND HUMAN RETROVIRUSES LA English DT Meeting Abstract CT AIDS Vaccine 2008 Conference CY OCT 13-16, 2008 CL Cape Town, SOUTH AFRICA SP NIAID, Div AIDS, NIH, Div AIDS C1 [Belair, M.; Dovat, M.; Mayerat, C.; Pantaleo, G.] Univ Laval, Quebec City, PQ, Canada. [Foley, B. T.] Los Alamos Natl Lab, Los Alamos, NM USA. [Graziosi, C.] CHUV, Lausanne, VD, Switzerland. RI Pantaleo, Giuseppe/K-6163-2016 NR 0 TC 0 Z9 0 U1 0 U2 1 PU MARY ANN LIEBERT INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 0889-2229 J9 AIDS RES HUM RETROV JI Aids Res. Hum. Retrovir. PD OCT PY 2008 VL 24 BP 154 EP 154 PG 1 WC Immunology; Infectious Diseases; Virology SC Immunology; Infectious Diseases; Virology GA 367CT UT WOS:000260530800397 ER PT J AU Kirchherr, JL Hamilton, J Lu, X Kasongo, W Chalwe, V Mwanayanda, L Musonda, RM Korber, BT Muldoon, M Montefiori, D Haynes, BF Gao, F AF Kirchherr, J. L. Hamilton, J. Lu, X. Kasongo, W. Chalwe, V. Mwanayanda, L. Musonda, R. M. Korber, B. T. Muldoon, M. Montefiori, D. Haynes, B. F. Gao, F. TI Functional Analysis of the Quasispecies env Population in Individuals Infected with HIV-1 Subtype C Viruses SO AIDS RESEARCH AND HUMAN RETROVIRUSES LA English DT Meeting Abstract CT AIDS Vaccine 2008 Conference CY OCT 13-16, 2008 CL Cape Town, SOUTH AFRICA SP NIAID, Div AIDS, NIH, Div AIDS C1 [Kirchherr, J. L.; Hamilton, J.; Lu, X.; Montefiori, D.; Haynes, B. F.; Gao, F.] Duke Univ, Med Ctr, Durham, NC USA. [Kasongo, W.; Chalwe, V.; Mwanayanda, L.; Musonda, R. M.] Trop Dis Res Ctr, Ndola, Zambia. [Korber, B. T.] Los Alamos Natl Lab, Los Alamos, NM USA. [Muldoon, M.] Univ Manchester, Sch Math, Manchester, Lancs, England. RI Muldoon, Mark/C-7505-2009 NR 0 TC 0 Z9 0 U1 0 U2 0 PU MARY ANN LIEBERT INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 0889-2229 J9 AIDS RES HUM RETROV JI Aids Res. Hum. Retrovir. PD OCT PY 2008 VL 24 BP 158 EP 158 PG 1 WC Immunology; Infectious Diseases; Virology SC Immunology; Infectious Diseases; Virology GA 367CT UT WOS:000260530800408 ER PT J AU Fischer, W Yusim, K Frahm, N Brander, C Korber, BT AF Fischer, W. Yusim, K. Frahm, N. Brander, C. Korber, B. T. TI Addressing Global HIV-1 Variability in Peptide Reagents for Immune Response Detection SO AIDS RESEARCH AND HUMAN RETROVIRUSES LA English DT Meeting Abstract CT AIDS Vaccine 2008 Conference CY OCT 13-16, 2008 CL Cape Town, SOUTH AFRICA SP NIAID, Div AIDS, NIH, Div AIDS C1 [Fischer, W.; Yusim, K.; Korber, B. T.] Los Alamos Natl Lab, Los Alamos, NM USA. [Frahm, N.; Brander, C.] Partners AIDS Res Ctr, Charlestown, MA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU MARY ANN LIEBERT INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 0889-2229 J9 AIDS RES HUM RETROV JI Aids Res. Hum. Retrovir. PD OCT PY 2008 VL 24 BP 162 EP 162 PG 1 WC Immunology; Infectious Diseases; Virology SC Immunology; Infectious Diseases; Virology GA 367CT UT WOS:000260530800419 ER PT J AU Villa, EM Ohlin, CA Balogh, E Anderson, TM Nyman, MD Casey, WH AF Villa, Eric M. Ohlin, C. Andre Balogh, Edina Anderson, Travis M. Nyman, May D. Casey, William H. TI ADDING REACTIVITY TO STRUCTURE-REACTION DYNAMICS IN A NANOMETER-SIZE OXIDE ION IN WATER SO AMERICAN JOURNAL OF SCIENCE LA English DT Article ID AB-INITIO CALCULATIONS; AQUEOUS-SOLUTION; OXYGEN-EXCHANGE; ISOTOPE FRACTIONATION; MOLECULAR-DYNAMICS; CARBONATE MINERALS; DISSOLUTION RATES; DECANIOBATE ION; LINDQVIST ION; MECHANISMS AB We examine oxygen-isotope exchanges in a nanometer-size oxide molecule in water and, separately, both its rates of dissociation and molecular products. This molecule, the decaniobate ion ([H(x),Nb(10)O(28)]((6-x)-)), is at the same size scale as geochemically interesting features on minerals, such as surface polymers and kink sites on growth steps, although it is structurally quite dissimilar. Unlike mineral surface structures, however, we have complete confidence in the aqueous structure of this molecule and it yields a clear spectroscopic signature as it reacts. We thus can follow proton-enhanced isotope exchanges and base-induced dissociation in unprecedented detail and clarity. The results are surprising and require new thinking about geochemical reactions at the molecular scale. For example, base-induced dissociation of the molecule, which is unprotonated, causes rates of oxygen-isotope exchanges of all structural oxygens to accelerate dramatically. Similarly, protonation of the molecule causes sets of oxygens to react, although protonation is limited. In general, all reactions are via concerted motions of many atoms and the reactivities vary as though the entire structure was responding to changes in solution composition. The site reactivities could not be inferred from the stable structure of the decaniobate molecule because so much of the structure is involved in each exchange event. Thus, computational models must be structurally faithful to an extraordinary degree, and inherently dynamic, or they will miss the essential chemistry. C1 [Villa, Eric M.; Ohlin, C. Andre; Balogh, Edina; Casey, William H.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [Villa, Eric M.; Ohlin, C. Andre; Balogh, Edina; Casey, William H.] Univ Calif Davis, Dept Geol, Davis, CA 95616 USA. [Anderson, Travis M.; Nyman, May D.] Sandia Natl Labs, Geochem Div, Albuquerque, NM 87185 USA. RP Casey, WH (reprint author), Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. EM whcasey@ucdavis.edu RI Ohlin, C. Andre/B-3567-2008; Villa, Eric/B-5305-2016 OI Ohlin, C. Andre/0000-0002-3804-6421; Villa, Eric/0000-0001-9883-1993 FU U.S. National Science Foundation [EAR-0515600, EAR-0814242]; U.S. Department of Energy; Office of Basic Energy Research [DE-FG02-05ER15693] FX The authors thank Danny, Rye for inviting them to present this information. This work is also dedicated to the memory of Professor Bernard Spinner, who was a pioneer in the Solution chemistry of isopolyoxoniobate molecules (for example, Spinner, 1968). The manuscript benefitted from comments by two perceptive referees. Support for this research was from the U.S. National Science Foundation via EAR-0515600, EAR-0814242 and the U.S. Department of Energy, Office of Basic Energy Research via DE-FG02-05ER15693. NR 61 TC 8 Z9 8 U1 1 U2 8 PU AMER JOURNAL SCIENCE PI NEW HAVEN PA YALE UNIV, PO BOX 208109, NEW HAVEN, CT 06520-8109 USA SN 0002-9599 J9 AM J SCI JI Am. J. Sci. PD OCT PY 2008 VL 308 IS 8 BP 942 EP 953 DI 10.2475/08.2008.03 PG 12 WC Geosciences, Multidisciplinary SC Geology GA 386DG UT WOS:000261861900003 ER PT J AU Regan, JF Makarewicz, AJ Hindson, BJ Metz, TR Gutierrez, DM Corzett, TH Hadley, DR Mahnke, RC Henderer, BD Breneman, JW Weisgraber, TH Dzenitis, JM AF Regan, John F. Makarewicz, Anthony J. Hindson, Benjamin J. Metz, Thomas R. Gutierrez, Dora M. Corzett, Todd H. Hadley, Dean R. Mahnke, Ryan C. Henderer, Bruce D. Breneman, John W. Weisgraber, Todd H. Dzenitis, John M. TI Environmental monitoring for biological threat agents using the Autonomous Pathogen Detection System with multiplexed polymerase chain reaction SO ANALYTICAL CHEMISTRY LA English DT Article ID BACILLUS-ANTHRACIS; IDENTIFICATION; POLYMORPHISMS; IMMUNOASSAY; SECONDS; WARFARE; MODULE AB We have developed and field-tested a now operational civilian biodefense capability that continuously monitors the air in high-risk locations for biological threat agents. This stand-alone instrument, called the Autonomous Pathogen Detection System (APDS), collects and selectively concentrates particles from the air into liquid samples and analyzes the samples using multiplexed PCR amplification coupled with microsphere array detection. During laboratory testing, we evaluated the APDS instrument's response to Bacillus anthracis and Yersinia pestis by spiking the liquid sample stream with viable spores and cells, bead-beaten lysates, and purified DNA extracts. APDS results were also compared to a manual real-time PCR method. Field data acquired during 74 days of continuous operation at a mass-transit subway station are presented to demonstrate the specificity and reliability of the APDS. The U.S. Department of Homeland Security recently selected the APDS reported herein as the first autonomous detector component of their BioWatch anti-terrorism program. This sophisticated field-deployed surveillance capability now generates actionable data in one-tenth the time of manual filter collection and analysis. C1 [Regan, John F.; Makarewicz, Anthony J.; Hindson, Benjamin J.; Metz, Thomas R.; Gutierrez, Dora M.; Corzett, Todd H.; Hadley, Dean R.; Mahnke, Ryan C.; Henderer, Bruce D.; Breneman, John W.; Weisgraber, Todd H.; Dzenitis, John M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Dzenitis, JM (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94550 USA. EM john.m.dzenitis@llnl.gov NR 24 TC 20 Z9 21 U1 2 U2 16 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 OCT 1 PY 2008 VL 80 IS 19 BP 7422 EP 7429 DI 10.1021/ac801125x PG 8 WC Chemistry, Analytical SC Chemistry GA 353XS UT WOS:000259603100035 PM 18763806 ER PT J AU Robinson, EW Shvartsburg, AA Tang, K Smith, RD AF Robinson, Errol W. Shvartsburg, Alexandre A. Tang, Keqi Smith, Richard D. TI Control of ion distortion in field asymmetric waveform ion mobility spectrometry via variation of dispersion field and gas temperature SO ANALYTICAL CHEMISTRY LA English DT Article ID IONIZATION MASS-SPECTROMETRY; ESI-FAIMS-MS; ELECTROSPRAY-IONIZATION; UBIQUITIN IONS; CYTOCHROME-C; CONFORMERS; PHASE; PROTEINS; CONFORMATIONS; SEPARATION AB Field asymmetric waveform ion mobility spectrometry (FAIMS) has emerged as an analytical tool of broad utility, especially in conjunction with mass spectrometry. Of particular promise is the use of FAIMS and 2-D ion mobility methods that combine FAIMS with conventional IMS to resolve and characterize protein and other macromolecular conformers. However, FAIMS operation requires a strong electric field, and ions are inevitably heated by energetic collisions with buffer gas molecules. This may induce ion isomerization or dissociation, which distort the separation properties of FAIMS (and subsequent stages) or reduce instrumental sensitivity. As FAIMS employs a periodic waveform, whether those processes are controlled by ion temperature at maximum or average field intensity has been debated. Here we address this issue by measuring the unfolding of compact ubiquitin ion geometries as a function of waveform amplitude (dispersion field, E-D) and gas temperature, T. The field heating is quantified by matching the dependences of structural transitions on E-D and T: increasing E-D from 12 to 16 or from 16 to 20 kV/cm is equivalent to heating the (N-2) gas by similar to 15-25 degrees C. The magnitude of field heating for any E-D can be estimated using the two-temperature theory, and raising E-D by 4 kV/cm augments heating by similar to 15-30 degrees C for maximum and similar to 4-8 degrees C for average field in the FAIMS cycle. Hence, isomerization of ions in FAIMS appears to be determined by the excitation at waveform peaks. C1 [Smith, Richard D.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. RP Smith, RD (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. EM rds@pnl.gov RI Robinson, Errol/I-3148-2012; Smith, Richard/J-3664-2012 OI Robinson, Errol/0000-0003-0696-6239; Smith, Richard/0000-0002-2381-2349 FU Entertainment Industry Foundation; NIH National Cancer Institute; National Center for Research Resources [RR 18522]; U.S. Department of Energy (DOE) Office of Biological and Environmental Research FX We are grateful to Dr. Brian H. Clowers for useful discussions. This work was funded by the Entertainment Industry Foundation and NIH National Cancer Institute and National Center for Research Resources (RR 18522) located in the Environmental Molecular Sciences Laboratory, a national scientific user facility at Pacific Northwest National Laboratory (PNNL) sponsored by the U.S. Department of Energy (DOE) Office of Biological and Environmental Research. PNNL is operated by Battelle for the DOE under contract DE-AC05-76 RLO 1830. NR 46 TC 24 Z9 24 U1 0 U2 8 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 OCT 1 PY 2008 VL 80 IS 19 BP 7508 EP 7515 DI 10.1021/ac800655d PG 8 WC Chemistry, Analytical SC Chemistry GA 353XS UT WOS:000259603100047 PM 18729473 ER PT J AU Zhao, Z Meyer, KA Whitten, WB Shaw, RW AF Zhao, Zhi Meyer, Kent A. Whitten, William B. Shaw, Robert W. TI Optical absorption measurements with parametric down-converted photons SO ANALYTICAL CHEMISTRY LA English DT Article ID EFFICIENCY; PAIRS AB It has been known for some time that correlated detection of pairs of photons generated by parametric down-conversion can eliminate several sources of error that occur in single-beam measurements. In the correlated photon measurements, the down-converted photons are separated into two beams with one photon of a pair in each beam. The absolute detection efficiency of a detector in one beam can be determined from the count rate of a detector in the other beam and the coincidence rate for the two detectors. These ideas can be used to measure the optical absorbance of a sample placed in front of one of the detectors. Errors due to stray light and dark counts are substantially reduced and fluctuations in pump intensity largely eliminated. C1 [Zhao, Zhi; Meyer, Kent A.; Whitten, William B.; Shaw, Robert W.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Whitten, WB (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008, Oak Ridge, TN 37831 USA. EM whittenwb@ornl.gov FU U.S. Department of Energy [DE-AC05-00OR22725] FX This research was sponsored by the Division of Chemical Sciences, Biosciences, and Geosciences, 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 13 TC 2 Z9 2 U1 0 U2 1 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 OCT 1 PY 2008 VL 80 IS 19 BP 7635 EP 7638 DI 10.1021/ac800911t PG 4 WC Chemistry, Analytical SC Chemistry GA 353XS UT WOS:000259603100063 PM 18752341 ER PT J AU Clark, SM Harnilton, GE Nordmeyer, RA Uber, D Cornell, EW Brown, N Segraves, R Davis, R Albertson, DG Pinkel, D AF Clark, Steve M. Harnilton, Gregory E. Nordmeyer, Robert A. Uber, Donald Cornell, Earl W. Brown, Nils Segraves, Richard Davis, Randy Albertson, Donna G. Pinkel, Daniel TI High-efficiency microarray printer using fused-silica capillary tube printing pins SO ANALYTICAL CHEMISTRY LA English DT Article ID FABRICATION AB We describe a contact printing approach for microarrays that uses fused-silica capillary tubes with tapered tips for printing pins and a pressure/vacuum system to control pin loading, printing, and cleaning. The printing process is insensitive to variable environmental factors such as humidity, and the small diameter of the pins allows routine printing from 1536 well source plates. Pin load capacity, 0.2 mu L in the current system, is adjustable by controlling pin length. More than 2000 spots can be printed per 0.2-mu L pin load (< 100 pl/spot), and densities of > 12 000 spots/cm(2) are readily achievable. Solutions with a wide range of viscosities and chemical properties can be printed. The system can print tens of thousands of different solutions at high speed, due to the ability to use large numbers of pins simultaneously, and can produce a large number of replicate arrays since all of the solution picked up by the pins is available for deposition. C1 [Clark, Steve M.; Harnilton, Gregory E.; Brown, Nils; Segraves, Richard; Davis, Randy; Albertson, Donna G.; Pinkel, Daniel] Univ Calif San Francisco, San Francisco, CA 94143 USA. [Nordmeyer, Robert A.; Uber, Donald] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Clark, Steve M.] GlaxoSmithKline Inc, King Of Prussia, PA 19406 USA. RP Pinkel, D (reprint author), Univ Calif San Francisco, Box 0808, San Francisco, CA 94143 USA. EM pinkel@cc.ucsf.edu RI Tian, Xingwang/J-9625-2014 FU National Cancer Institute [CA83040]; Vysis Inc FX Work supported by the National Cancer Institute grant CA83040, and Vysis Inc. NR 7 TC 2 Z9 3 U1 0 U2 4 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 OCT 1 PY 2008 VL 80 IS 19 BP 7639 EP 7642 DI 10.1021/ac8010395 PG 4 WC Chemistry, Analytical SC Chemistry GA 353XS UT WOS:000259603100064 PM 18763810 ER PT J AU Chen, K Fata, B Einstein, DR AF Chen, Kinon Fata, Bahar Einstein, Daniel R. TI Characterization of the highly nonlinear and anisotropic vascular tissues from experimental inflation data: A validation study toward the use of clinical data for in-vivo modeling and analysis SO ANNALS OF BIOMEDICAL ENGINEERING LA English DT Article DE aorta; axial stretch; biaxial; blood vessel; inverse modeling approach; finite element; pipette aspiration; pressure-diameter; soft tissue; successive surface response method ID 2-DIMENSIONAL MECHANICAL-PROPERTIES; AORTIC ROOT MOTION; STRUCTURAL OPTIMIZATION; BIOLOGICAL-MATERIALS; CAROTID ARTERIES; CORONARY-ARTERY; BIAXIAL STRETCH; RABBIT SKIN; BLOOD-FLOW; WALL AB We study whether an inverse modeling approach is applicable for characterizing vascular tissue subjected to various levels of internal pressure and axial stretch that approximate in-vivo conditions. To compensate for the limitation of axial-displacement/pressure/diameter data typical of clinical data, which does not provide information about axial force, we propose to constrain the ratio of axial to circumferential elastic moduli to a typical range. Vessel wall constitutive behavior is modeled with a transversely isotropic hyperelastic equation that accounts for dispersed collagen fibers. A single-layer and a bi-layer approximation to vessel ultrastructure are examined, as is the possibility of obtaining the fiber orientation as part of the optimization. Characterization is validated against independent pipette-aspiration biaxial data on the same samples. It was found that the single-layer model based on homogeneous wall assumption could not reproduce the validation data. In contrast, the constrained bi-layer model was in excellent agreement with both types of experimental data. Due to covariance, estimations of fiber angle were slightly outside of the normal range, which can be resolved by predefining the angles to normal values. Our approach is relatively invariant to a constant or a variable axial response. We believe that it is suitable for in-vivo characterization. C1 [Chen, Kinon] Univ So Calif, Dept Biomed Engn, Los Angeles, CA 90089 USA. [Fata, Bahar] Univ Pittsburgh, Dept Bioengn, Pittsburgh, PA USA. [Einstein, Daniel R.] Pacific NW Natl Lab, Biol Monitoring & Modeling, Richland, WA 99352 USA. RP Chen, K (reprint author), Univ So Calif, Dept Biomed Engn, Los Angeles, CA 90089 USA. EM kinonche@usc.edu; daniel.einstein@pnl.gov FU NIH-NHLBI [1 R01 HL077921-01A2] FX The authors would like to thank Dr. Ivan Vesely and the Heart Valve Research Laboratory at Childrens Hospital Los Angeles for their. nancial support and vision. Dr. Einstein's contribution was supported by NIH-NHLBI 1 R01 HL077921-01A2. NR 59 TC 9 Z9 9 U1 1 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0090-6964 J9 ANN BIOMED ENG JI Ann. Biomed. Eng. PD OCT PY 2008 VL 36 IS 10 BP 1668 EP 1680 DI 10.1007/s10439-008-9541-9 PG 13 WC Engineering, Biomedical SC Engineering GA 347FC UT WOS:000259125000007 PM 18663577 ER PT J AU Rabinovici, GD Jagust, WJ Furst, AJ Ogar, JM Racine, CA Mormino, EC O'Neil, JP Lal, RA Dronkers, NF Miller, BL Gorno-Tempini, ML AF Rabinovici, Gil D. Jagust, William J. Furst, Ansgar J. Ogar, Jennifer M. Racine, Caroline A. Mormino, Elizabeth C. O'Neil, James P. Lal, Rayhan A. Dronkers, Nina F. Miller, Bruce L. Gorno-Tempini, Maria Luisa TI A beta Amyloid and Glucose Metabolism in Three Variants of Primary Progressive Aphasia SO ANNALS OF NEUROLOGY LA English DT Article ID PITTSBURGH COMPOUND-B; FRONTOTEMPORAL LOBAR DEGENERATION; ALZHEIMERS-DISEASE; SEMANTIC DEMENTIA; NONFLUENT APHASIA; C-11-PIB PET; BRAIN; PATHOLOGY; BINDING; HYPOMETABOLISM AB Objective: Alzheimer's disease (AD) is found at autopsy in up to one third of patients with primary progressive aphasia (PPA), but clinical features that predict AD pathology in PPA are not well defined. We studied the relationships between language presentation, A beta amyloidosis, and glucose metabolism in three PPA variants using [C-11]-Pittsburgh compound B ([C-11]PIB) and [F-18]-labeled fluorodeoxyglucose positron emission tomography ([F-18]FDG-PET). Methods: Patients meeting PPA criteria (N = 15) were classified. as logopenic aphasia (LPA), progressive nonfluent aphasia (PNFA), or semantic dementia (SD) based on language testing. [C-11]PIB distribution volume ratios were calculated using Logan graphical analysis (cerebellar reference). [F-18]FDG images were normalized to Pons. Partial volume correction was applied. Results: Elevated cortical PIB (by visual inspection) was more common in LPA (4/4 patients) than in PNFA (1/6) and SD (1/5) (p < 0.02). In PIB-positive PPA, PIB uptake was diffuse and indistinguishable from the pattern in matched AD patients (n = 10). FDG patterns were focal and varied by PPA subtype, with left temporoparietal hypometabolism in LPA, left frontal hypometabolism in PNFA, and left anterior temporal hypometabolism in SD. FDG uptake was significant asymmetric (favoring left hypometabolism) in PPA (p < 0.005) but not in AD. Interpretation: LPA is associated with A beta amyloidosis, suggesting that subclassification of PPA based on language features can help predict the likelihood of AD pathology. Language phenotype in PPA is closely related to metabolic changes that are focal and anatomically distinct between subtypes, but not to amyloid deposition patterns that are diffuse and similar to AD. C1 [Rabinovici, Gil D.; Jagust, William J.; Ogar, Jennifer M.; Racine, Caroline A.; Miller, Bruce L.; Gorno-Tempini, Maria Luisa] Univ Calif San Francisco, Memory & Aging Ctr, San Francisco, CA 94143 USA. [Rabinovici, Gil D.; Jagust, William J.; Racine, Caroline A.; Miller, Bruce L.; Gorno-Tempini, Maria Luisa] Univ Calif San Francisco, Dept Neurol, San Francisco, CA 94143 USA. [Rabinovici, Gil D.; Jagust, William J.; Furst, Ansgar J.; Mormino, Elizabeth C.; Lal, Rayhan A.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. [Rabinovici, Gil D.; Jagust, William J.; Furst, Ansgar J.; Mormino, Elizabeth C.; O'Neil, James P.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Ogar, Jennifer M.; Dronkers, Nina F.] Vet Affairs No Calif Hlth Care Syst, Ctr Aphasia & Related Disorders, Martinez, CA USA. [Dronkers, Nina F.] Univ Calif Davis, Dept Neurol, Davis, CA 95616 USA. RP Rabinovici, GD (reprint author), Univ Calif San Francisco, Memory & Aging Ctr, 350 Parnassus Ave,Suite 706, San Francisco, CA 94143 USA. EM grabinovici@memory.ucsf.edu RI Gorno-Tempini, Maria Luisa/E-7203-2012 FU John Douglas French Alzheimer's Foundation; Alzheimer's Association [NIRG-07-59422]; NIH [R01-NS050915, AG027859, P01-AG1972403]; State of California [DHS 04-33516]; ADRC [P50-AG023501] FX This work was funded by the John Douglas French Alzheimer's Foundation (G.D.R.), Alzheimer's Association (NIRG-07-59422) (G.D.R.), NIH (National Institute of Neurological Diseases and Stroke, R01-NS050915 (M.L.G.T.); National Institute on Aging, AG027859 (W.J.J.), and P01-AG1972403 (B.L.M.)), State of California (DHS 04-33516 (B.L.M.), ADRC P50-AG023501 (B.L.M.)). NR 73 TC 224 Z9 237 U1 3 U2 7 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0364-5134 J9 ANN NEUROL JI Ann. Neurol. PD OCT PY 2008 VL 64 IS 4 BP 388 EP 401 DI 10.1002/ana.21451 PG 14 WC Clinical Neurology; Neurosciences SC Neurosciences & Neurology GA 371QC UT WOS:000260845000007 PM 18991338 ER PT J AU Talamo, A AF Talamo, Alberto TI A novel concept of QUADRISO particles Part I: Transmutation of neptunium and plutonium SO ANNALS OF NUCLEAR ENERGY LA English DT Article ID GADOLINIUM BURNABLE POISON; HIGH-TEMPERATURE REACTORS; LONG-TERM CONTROL; PASS DEEP BURN; MONTE-CARLO; EXCESS REACTIVITY; FUEL; HTRS; MCB AB In quadruple isotropic (QUADRISO) coated particles, a burnable absorber layer surrounds the fuel kernel; consequently, during irradiation, the poison depletion allows more neutrons to stream into the kernel and to produce more fission reactions that attenuate the reactivity loss due to fuel depletion. In our previous studies, we have proposed for the first time the novel concept of QUADRISO particles for managing the long term excess of reactivity and we have shown in details how the new concept flattens the reactivity curve as function of time compared to traditional designs of burnable absorbers. In the present study, we apply the new concept of QUADRISO particles for transmuting Light Water Reactors waste in a prismatic high temperature reactor. We simulated two irradiation periods of 500 and 200 days that allow to transmute over 95%, and 52% of (239)Pu and actinides, respectively, without any reprocessing of the irradiated fuel in-between. During the first irradiation period the high initial excess of reactivity is managed by the QUADRISO particles; during the second irradiation period, there is no need of QUADRISO particles because of the small initial fissile inventory in the core. (C) 2008 Elsevier Ltd. All rights reserved. C1 Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. RP Talamo, A (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM alby@anl.gov OI talamo, alberto/0000-0001-5685-0483 FU U.S. Department of Energy; Office of Global Nuclear Material Threat Reduction [NA213]; National Nuclear Security Administration and the International Science and Technology Center (ISTC) FX This project is supported by the U.S. Department of Energy, Office of Global Nuclear Material Threat Reduction (NA213), National Nuclear Security Administration and the International Science and Technology Center (ISTC). NR 28 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 0306-4549 J9 ANN NUCL ENERGY JI Ann. Nucl. Energy PD OCT PY 2008 VL 35 IS 10 BP 1944 EP 1953 DI 10.1016/j.anucene.2008.02.007 PG 10 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 355WN UT WOS:000259740100021 ER PT J AU Carroll, AM Plomp, M Malkin, AJ Setlow, P AF Carroll, Alicia Monroe Plomp, Marco Malkin, Alexander J. Setlow, Peter TI Protozoal digestion of coat-defective Bacillus subtilis spores produces "Rinds" composed of insoluble coat protein SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID X-RAY-MICROANALYSIS; TETRAHYMENA-THERMOPHILA; STRUCTURAL DYNAMICS; TRANSGLUTAMINASE; RESISTANCE; MORPHOGENESIS; LOCALIZATION; ARCHITECTURE; SPORULATION; GERMINATION AB The Bacillus subtilis spore coat is a multilayer, proteinaceous structure that consists of more than 50 proteins. Located on the surface of the spore, the coat provides resistance to potentially toxic molecules as well as to predation by the protozoan Tetrahymena thermophila. When coat-defective spores are fed to Tetrahymena, the spores are readily digested. However, a residue termed a "rind" that looks like coat material remains. As observed with a phase-contrast microscope, the rinds are spherical or hemispherical structures that appear to be devoid of internal contents. Atomic force microscopy and chemical analyses showed that (i) the rinds are composed of insoluble protein largely derived from both outer and inner spore coat layers, (ii) the amorphous layer of the outer coat is largely responsible for providing spore resistance to protozoal digestion, and (iii) the rinds and intact spores do not contain significant levels of silicon. C1 [Carroll, Alicia Monroe; Setlow, Peter] Univ Connecticut, Ctr Hlth, Dept Mol Microbial & Struct Biol, Farmington, CT 06030 USA. [Plomp, Marco; Malkin, Alexander J.] Lawrence Livermore Natl Lab, Chem Mat Earth & Life Sci Directorate, Livermore, CA 94551 USA. [Carroll, Alicia Monroe] Alicia Monroe, Monroe, LA USA. RP Setlow, P (reprint author), Univ Connecticut, Ctr Hlth, Dept Mol Microbial & Struct Biol, Farmington, CT 06032 USA. EM setlow@nso2.uchc.edu FU NIH [GM19698]; U. S. Department of Energy [DE-AC52-07NA27344] FX This work was supported by a grant GM19698 from the NIH to P. S. Part of this work was performed under the auspices of the U. S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. NR 40 TC 14 Z9 14 U1 0 U2 4 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 OCT PY 2008 VL 74 IS 19 BP 5875 EP 5881 DI 10.1128/AEM.01228-08 PG 7 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 352WS UT WOS:000259528700002 PM 18689521 ER PT J AU Mattes, TE Alexander, AK Richardson, PM Munk, AC Han, CS Stothard, P Coleman, NV AF Mattes, Timothy E. Alexander, Anne K. Richardson, Paul M. Munk, A. Christine Han, Cliff S. Stothard, Paul Coleman, Nicholas V. TI The genome of Polaromonas sp strain JS666: Insights into the evolution of a hydrocarbon- and xenobiotic-degrading bacterium, and features of relevance to biotechnology SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID XANTHOBACTER-AUTOTROPHICUS GJ10; BAEYER-VILLIGER MONOOXYGENASES; BETA-KETOADIPATE PATHWAY; MOBILE GENETIC ELEMENTS; PSEUDOMONAS-PUTIDA; CONTAMINATED GROUNDWATER; ORGANIC-COMPOUNDS; FERULIC ACID; DEGRADATION; BIODEGRADATION AB Polaromonas sp. strain JS666 can grow on cis-1,2-dichloroethene (cDCE) as a sole carbon and energy source and may be useful for bioremediation of chlorinated solvent-contaminated sites. Analysis of the genome sequence of JS666 (5.9 Mb) shows a bacterium well adapted to pollution that carries many genes likely to be involved in hydrocarbon and xenobiotic catabolism and metal resistance. Clusters of genes coding for haloalkane, haloalkanoate, n-alkane, alicyclic acid, cyclic alcohol, and aromatic catabolism were analyzed in detail, and growth on acetate, catechol, chloroacetate, cyclohexane carboxylate, cyclohexanol, ferulate, heptane, 3-hydroxybenzoate, hydroxyquinol, gentisate, octane, protocatechuate, and salicylate was confirmed experimentally. Strain JS666 also harbors diverse putative mobile genetic elements, including retrons, inteins, a miniature inverted-repeat transposable element, insertion sequence transposases from 14 families, eight genomic islands, a Mu family bacteriophage, and two large (338- and 360-kb) plasmids. Both plasmids are likely to be self-transferable and carry genes for alkane, alcohol, aromatic, and haloacid metabolism. Overall, the JS666 genome sequence provides insights into the evolution of pollutant-degrading bacteria and provides a toolbox of catabolic genes with utility for biotechnology. C1 [Mattes, Timothy E.; Alexander, Anne K.] Univ Iowa, Dept Civil & Environm Engn, Seamans Ctr 4105, Iowa City, IA 52242 USA. [Richardson, Paul M.] Genome Inst, Dept Energy Joint, Walnut Creek, CA 94598 USA. [Munk, A. Christine; Han, Cliff S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Stothard, Paul] Univ Alberta, Dept Agr Food & Nutr Sci, Edmonton, AB T6G 2P5, Canada. [Coleman, Nicholas V.] Univ Sydney, Sch Mol & Microbial Biosci, Sydney, NSW 2006, Australia. RP Mattes, TE (reprint author), Univ Iowa, Dept Civil & Environm Engn, Seamans Ctr 4105, Iowa City, IA 52242 USA. EM tim-mattes@uiowa.edu OI Alexander, Anne/0000-0001-7146-8784 FU Engineering Research Centers Program; National Science Foundation under NSF [EEC-0310689]; Biotechnology By-Products Consortium; University of Sydney Sesqui FX This work was supported by the Engineering Research Centers Program of the National Science Foundation under NSF award number EEC-0310689, the Biotechnology By-Products Consortium, start-up funds for T. E. M, and funding from a University of Sydney Sesqui postdoctoral fellowship for N.V.C. NR 51 TC 47 Z9 51 U1 3 U2 46 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 OCT PY 2008 VL 74 IS 20 BP 6405 EP 6416 DI 10.1128/AEM.00197-08 PG 12 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 359KJ UT WOS:000259985300029 PM 18723656 ER PT J AU Zhang, CL Ye, Q Huang, ZY Li, WJ Chen, JQ Song, ZQ Zhao, WD Bagwell, C Inskeep, WP Ross, C Gao, L Wiegel, J Romanek, CS Shock, EL Hedlund, BP AF Zhang, Chuanlun L. Ye, Qi Huang, Zhiyong Li, WenJun Chen, Jinquan Song, Zhaoqi Zhao, Weidong Bagwell, Christopher Inskeep, William P. Ross, Christian Gao, Lei Wiegel, Juergen Romanek, Christopher S. Shock, Everett L. Hedlund, Brian P. TI Global occurrence of archaeal amoA genes in terrestrial hot springs SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID AMMONIA-OXIDIZING BACTERIA; HYPERTHERMOPHILIC ARCHAEA; HYDROTHERMAL ECOSYSTEMS; NITROGEN-CYCLE; CRENARCHAEOTA; NITRIFICATION; DIVERSITY; OCEAN; COMMUNITIES; TEMPERATURE AB Despite the ubiquity of ammonium in geothermal environments and the thermodynamic favorability of aerobic ammonia oxidation, thermophilic ammonia-oxidizing microorganisms belonging to the crenarchaeota kingdom have only recently been described. In this study, we analyzed microbial mats and surface sediments from 21 hot spring samples (pH 3.4 to 9.0; temperature, 41 to 86 degrees C) from the United States, China, and Russia and obtained 846 putative archaeal ammonia monooxygenase large-subunit (amoA) gene and transcript sequences, representing a total of 41 amoA operational taxonomic units (OTUs) at 2% identity. The amoA gene sequences were highly diverse, yet they clustered within two major clades of archaeal amoA sequences known from water columns, sediments, and soils: clusters A and B. Eighty-four percent (711/846) of the sequences belonged to cluster A, which is typically found in water columns and sediments, whereas 16% (135/846) belonged to cluster B, which is typically found in soils and sediments. Although a few amoA OTUs were present in several geothermal regions, most were specific to a single region. In addition, cluster A amoA genes formed geographic groups, while cluster B sequences did not group geographically. With the exception of only one hot spring, principal-component analysis and UPGMA (unweighted-pair group method using average linkages) based on the UniFrac metric derived from cluster A grouped the springs by location, regardless of temperature or bulk water pH, suggesting that geography may play a role in structuring communities of putative ammonia-oxidizing archaea (AOA). The amoA genes were distinct from those of low-temperature environments; in particular, pair-wise comparisons between hot spring amoA genes and those from sympatric soils showed less than 85% sequence identity, underscoring the distinctness of hot spring archaeal communities from those of the surrounding soil system. Reverse transcription-PCR showed that amoA genes were transcribed in situ in one spring and the transcripts were closely related to the amoA genes amplified from the same spring. Our study demonstrates the global occurrence of putative archaeal amoA genes in a wide variety of terrestrial hot springs and suggests that geography may play an important role in selecting different assemblages of AOA. C1 [Zhang, Chuanlun L.; Ye, Qi; Huang, Zhiyong; Zhao, Weidong] Univ Georgia, Dept Marine Sci, Athens, GA 30602 USA. [Li, WenJun; Chen, Jinquan; Song, Zhaoqi] Yunnan Univ, Yunnan Inst Microbiol, Kunming 650091, Yunnan, Peoples R China. [Bagwell, Christopher] Savannah River Natl Lab, Aiken, SC 29802 USA. [Inskeep, William P.] Montana State Univ, Dept Land Resources & Environm Sci, Bozeman, MT 59717 USA. [Ross, Christian; Hedlund, Brian P.] Univ Nevada, Sch Life Sci, Las Vegas, NV 89154 USA. [Gao, Lei] Fudan Univ, T Life Res Ctr, Shanghai 200433, Peoples R China. [Wiegel, Juergen] Univ Georgia, Dept Microbiol, Athens, GA 30605 USA. [Romanek, Christopher S.] Univ Georgia, Dept Geol, Athens, GA 30605 USA. [Shock, Everett L.] Arizona State Univ, Sch Earth & Space Explorat, Dept Chem & Biochem, Tempe, AZ 85287 USA. RP Zhang, CL (reprint author), Univ Georgia, Dept Marine Sci, Athens, GA 30602 USA. EM czsrel@srel.edu RI Ducey, Thomas/A-6493-2011; Gao, Lei/I-4159-2013; OI Gao, Lei/0000-0002-6488-0292; Wiegel, Juergen/0000-0002-6343-6464 FU National Science Foundation [MCB-0348180, MCB-0546865, EAR-0525561]; NIH [P20 RR-01464]; INBRE; National Center for Research Resources; Thermal Biology Institute; NASA [NAG-58807] FX Funding for this research was provided by the National Science Foundation to C.L.Z., J.W.,and C. S. R. (MCB-0348180), B. P. H. (MCB-0546865), and E. L. S. (EAR-0525561). C. R. was funded with NIH grant P20 RR-01464 from the INBRE program of the National Center for Research Resources. W. P. I. appreciates support for this research from the Thermal Biology Institute (NASA project NAG-58807). NR 44 TC 110 Z9 126 U1 3 U2 39 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 OCT PY 2008 VL 74 IS 20 BP 6417 EP 6426 DI 10.1128/AEM.00843-08 PG 10 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 359KJ UT WOS:000259985300030 PM 18676703 ER PT J AU Valenzuela, AR Clarke, SA Rodriguez, G AF Valenzuela, Anthony R. Clarke, Steven A. Rodriguez, George TI Nanoscale topography of dynamic surfaces with ultrafast time resolution SO APPLIED OPTICS LA English DT Article ID SHACK-HARTMANN SENSOR AB We describe an optical system for detecting the movement of a surface with subnanosecond temporal and nanometer vertical displacement resolution. The system is fielded on an experiment to determine the distortion of a laser-ablated metal layer and compare the results with hydrodynamic simulations. We also discuss errors that can arise and potential means to mitigate them. The resultant data show one can examine dynamic changes to a reflective surface with accuracy down to tens of nanometers at hundreds of picoseconds time resolution. (C) 2008 Optical Society of America C1 [Valenzuela, Anthony R.; Rodriguez, George] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Clarke, Steven A.] Los Alamos Natl Lab, Weap Syst Engn Div, Los Alamos, NM 87545 USA. RP Valenzuela, AR (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, MS K771,POB 1663, Los Alamos, NM 87545 USA. EM arv@lanl.gov RI Rodriguez, George/G-7571-2012 OI Rodriguez, George/0000-0002-6044-9462 FU Joint Munitions Department of Defense (DoD)/Department of Energy (DOE) Program; Los Alamos National Security, LLC Laboratory Directed Research and Development Program [DE-AC52-06NA25396] FX The authors thank Peter Goodwin and Dzmitry Yarotski for their assistance in obtaining microscope images and profilometry data, respectively, of the ablated samples. This work is funded by the Direct Optical Initiation Project under the Joint Munitions Department of Defense (DoD)/Department of Energy (DOE) Program at Los Alamos National Laboratory. Additional funding is also provided by the Los Alamos National Security, LLC Laboratory Directed Research and Development Program at Los Alamos National Laboratory under the auspices of the Department of Energy contract number DE-AC52-06NA25396. NR 10 TC 1 Z9 1 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 OCT 1 PY 2008 VL 47 IS 28 BP 5082 EP 5086 DI 10.1364/AO.47.005082 PG 5 WC Optics SC Optics GA 364PS UT WOS:000260348200016 PM 18830295 ER PT J AU Theiler, J AF Theiler, James TI Quantitative comparison of quadratic covariance-based anomalous change detectors SO APPLIED OPTICS LA English DT Article AB Simulations applied to hyperspectral imagery from the AVIRIS sensor are employed to quantitatively evaluate the performance of anomalous change detection algorithms. The evaluation methodology reflects the aim of these algorithms, which is to distinguish actual anomalous changes in a pair of images from the incidental differences that pervade the entire scene. By simulating both the anomalous changes and the pervasive differences, accurate and plentiful ground truth is made available, and statistical estimates of detection and false alarm rates can be made. Comparing the receiver operating characteristic (ROC) curves that encapsulate these rates provides a way to identify which algorithms work best under which conditions. (C) 2008 Optical Society of America C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Theiler, J (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM jt@lanl.gov FU Los Alamos Laboratory Directed Research and Development (LDRD) FX This work was supported by the Los Alamos Laboratory Directed Research and Development (LDRD) program. I am grateful to the reviewers for helpful suggestions that have improved this manuscript. NR 14 TC 44 Z9 44 U1 0 U2 0 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 OCT 1 PY 2008 VL 47 IS 28 BP F12 EP F26 DI 10.1364/AO.47.000F12 PG 15 WC Optics SC Optics GA 364PS UT WOS:000260348200003 PM 18830282 ER PT J AU Lu, CY Shamberger, PJ Yitamben, EN Beck, KM Joly, AG Olmstead, MA Ohuchi, FS AF Lu, Chih-Yuan Shamberger, Patrick J. Yitamben, Esmeralda N. Beck, Kenneth M. Joly, Alan G. Olmstead, Marjorie A. Ohuchi, Fumio S. TI Laser and electrical current induced phase transformation of In2Se3 semiconductor thin film on Si(111) SO APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING LA English DT Article ID INDIUM SELENIDE IN2SE3; COMPOUND SEMICONDUCTOR; CRYSTAL-STRUCTURE; CHANGE MEMORY; SILICON; GROWTH AB Phase transformation of thin film (similar to 30 nm) In2Se3/Si(111) (amorphous. crystalline) was performed by resistive annealing and the reverse transformation (crystalline. amorphous) was performed by nanosecond laser annealing. As an intrinsic-vacancy, binary chalcogenide semiconductor, In2Se3 is of interest for non-volatile phase-change memory. Amorphous InxSey was deposited at room temperature on Si(111) after pre-deposition of a crystalline In2Se3 buffer layer (0.64 nm). Upon resistive annealing to 380 C, the film was transformed into a gamma-In2Se3 single crystal with its {0001} planes parallel to the Si(111) substrate and (1120) parallel to Si(110), as evidenced by scanning tunneling microscopy, low energy electron diffraction, and X-ray diffraction. Laser annealing with 20-ns pulses (0.1 millijoules/pulse, fluence <= 50 mJ/cm(2)) re-amorphized the region exposed to the laser beam, as observed with photoemission electron microscopy (PEEM). The amorphous phase in PEEM appears dark, likely due to abundant defect levels inhibiting electron emission from the amorphous InxSey film. C1 [Beck, Kenneth M.] Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. [Lu, Chih-Yuan] Intel Corp, Hillsboro, OR 97124 USA. [Shamberger, Patrick J.; Ohuchi, Fumio S.] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. [Yitamben, Esmeralda N.; Olmstead, Marjorie A.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. RP Beck, KM (reprint author), Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, POB 999 K8-88, Richland, WA 99352 USA. EM kenneth.beck@pnl.gov RI Shamberger, Patrick/I-8999-2012; Shamberger, Patrick/C-4795-2014; OI Shamberger, Patrick/0000-0003-4190-2070; Shamberger, Patrick/0000-0002-8737-6064; Olmstead, Marjorie/0000-0003-4374-0976 FU NSF [DMR 0605601, DMR 0710641]; M.J. Murdock Charitable Trust; Divisions of Chemical Sciences of the Office of Basic Energy Sciences; Office of Biological and Environmental Research; W. R. Wiley Environmental Molecular Sciences Laboratory; Pacific Northwest National Laboratory [DE-AC06-76RLO 1830] FX The UW contributions to this work were supported by NSF Grant Nos. DMR 0605601 and DMR 0710641 and the M.J. Murdock Charitable Trust. The PNNL researchers were partly supported by the Divisions of Chemical Sciences of the Office of Basic Energy Sciences and the Office of Biological and Environmental Research at W. R. Wiley Environmental Molecular Sciences Laboratory. Pacific Northwest National Laboratory is operated for the US Department of Energy by Battelle under Contract No. DE-AC06-76RLO 1830. We further acknowledge S. Vaithiyalingam (PNNL EMSL) for RBS measurement and T. C. Lovejoy (UW Physics) for useful discussions and experimental assistance. Portions of this work were submitted by C.-Y. Lu in partial fulfillment of the requirements for the Ph. D. at the University of Washington (2007). NR 21 TC 7 Z9 7 U1 4 U2 23 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 OCT PY 2008 VL 93 IS 1 BP 93 EP 98 DI 10.1007/s00339-008-4776-8 PG 6 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 338QY UT WOS:000258524000015 ER PT J AU Medvedev, DG Mausner, LF Greene, GA Hanson, AL AF Medvedev, Dmitri G. Mausner, Leonard F. Greene, George A. Hanson, Albert L. TI Activation of natural Hf and Ta in relation to the production of Lu-177 SO APPLIED RADIATION AND ISOTOPES LA English DT Article DE Lu-177; Yb-169; Tm-167; medical isotopes; BLIP; radiotherapy ID THERAPEUTIC RADIONUCLIDE YB-169; EXCITATION-FUNCTIONS; REACTOR PRODUCTION; CROSS-SECTIONS; TUMOR; PROTONS; TM-167; RADIOLANTHANIDES; YB-169-CITRATE; DOSIMETRY AB The isotope Lu-177 is used in nuclear medicine and biology for in vivo applications as a radioactive label of various targeting agents. To extend the availability of no-carrier added Lu-177, we investigated the feasibility of its production in a proton accelerator. Tantalum and Hf targets were irradiated and chemically processed to determine the radioisotope yield and cross-sections. The largest cross-sections (similar to 20 mb) were found for the Hf target at 195 MeV; however, the presence of co-produced Lu isotopes may limit the product applications. The results are in good agreement with theoretical data calculated using computer codes MCNPX and ORIGEN2S. Production of relevant medical isotopes such as Tm-167 and Yb-169 from the above targets is discussed as well. (c) 2008 Elsevier Ltd. All rights reserved. C1 [Medvedev, Dmitri G.; Mausner, Leonard F.] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. [Greene, George A.; Hanson, Albert L.] Brookhaven Natl Lab, Energy Sci & Technol Dept, Upton, NY 11973 USA. RP Medvedev, DG (reprint author), Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. EM dmedvede@bnl.gov FU Brookhaven Science Associates, LLC [DE-AC0298CH1-886] FX This manuscript has been authored by Brookhaven Science Associates, LLC, under Contract no. DE-AC0298CH1-886 with the US Department of Energy. The US 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 allows others to do so, for the US Government purposes. NR 36 TC 13 Z9 13 U1 5 U2 11 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 OCT PY 2008 VL 66 IS 10 BP 1300 EP 1306 DI 10.1016/j.apradiso.2008.02.090 PG 7 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 350WT UT WOS:000259385000005 PM 18456503 ER PT J AU Martinez-Martinez, S Sanchez-Cruz, FA Riesco-Avila, JM Gallegos-Munoz, A Aceves, SM AF Martinez-Martinez, S. Sanchez-Cruz, F. A. Riesco-Avila, J. M. Gallegos-Munoz, A. Aceves, S. M. TI Liquid penetration length in direct diesel fuel injection SO APPLIED THERMAL ENGINEERING LA English DT Article DE direct injection; liquid length; thermal engine; break-up time ID COMBUSTION; SPRAY AB We have conducted experimental measurements to estimate the liquid penetration length of a diesel fuel jet injected into an inert environment. We analyzed the effects of the characteristic parameters, i.e., the nozzle diameter, discharge coefficient, injection pressure, and working fluid density. The transient fuel injection process was recorded using optical access, and the liquid penetration length before the second break-up regime was measured using the ombroscopy technique. The experimental data were subsequently fitted to a correlation that accurately predicts liquid penetration length at conditions typical of modern Heavy Duty common rail diesel engines operating with direct fuel injection. Astatistical analysis of our experimental measurements suggests a power function correlation to model the liquid penetration length. The proposed model is in good agreement with experimental data and yields a correlation coefficient R-2 = 93.3%. It is expected that this correlation can be of assistance in the successful designing of combustion chambers required by modern heavy duty diesel engines. (c) 2007 Elsevier Ltd. All rights reserved. C1 [Riesco-Avila, J. M.; Gallegos-Munoz, A.] Univ Guanajuato, Fac Ingn Mecan & Elect, Guanajuato, Gto, Mexico. [Aceves, S. M.] Lawrence Livermore Natl Lab, Lawrence, KS USA. EM riesco@salamanca.ugto.mx RI aceves, salvador/G-9052-2011; Gallegos, Armando/G-1112-2016 OI aceves, salvador/0000-0001-5687-7256; Gallegos, Armando/0000-0002-5465-0477 NR 18 TC 22 Z9 22 U1 0 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-4311 J9 APPL THERM ENG JI Appl. Therm. Eng. PD OCT PY 2008 VL 28 IS 14-15 BP 1756 EP 1762 DI 10.1016/j.applthermaleng.2007.11.006 PG 7 WC Thermodynamics; Energy & Fuels; Engineering, Mechanical; Mechanics SC Thermodynamics; Energy & Fuels; Engineering; Mechanics GA 336LQ UT WOS:000258365700006 ER PT J AU Harbottle, G AF Harbottle, G. TI Reply to comments of towe et al. on 'the Vinland Map: a critical review of archaeometric research on its authenticity' SO ARCHAEOMETRY LA English DT Editorial Material C1 [Harbottle, G.] SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. [Harbottle, G.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Harbottle, G (reprint author), SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. NR 0 TC 0 Z9 0 U1 0 U2 3 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0003-813X J9 ARCHAEOMETRY JI Archaeometry PD OCT PY 2008 VL 50 BP 894 EP 894 DI 10.1111/j.1475-4754.2008.00424.x PN 5 PG 1 WC Archaeology; Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Geosciences, Multidisciplinary SC Archaeology; Chemistry; Geology GA 347MT UT WOS:000259146400010 ER PT J AU Jarnagin, RE Brambley, MR AF Jarnagin, Ronald E. Brambley, Michael R. TI ASHRAE's Living Lab SO ASHRAE JOURNAL LA English DT Article C1 [Jarnagin, Ronald E.; Brambley, Michael R.] Pacific NW Lab, Richland, WA USA. RP Jarnagin, RE (reprint author), Pacific NW Lab, Richland, WA USA. NR 3 TC 2 Z9 2 U1 1 U2 7 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 OCT PY 2008 VL 50 IS 10 BP 12 EP + PG 7 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 367RD UT WOS:000260569000007 ER PT J AU Dieckmann, J Roth, K Brodrick, J AF Dieckmann, John Roth, Kurt Brodrick, James TI Liquid Desiccant Air Conditioners SO ASHRAE JOURNAL LA English DT Article C1 [Dieckmann, John; Roth, Kurt] TIAX LLC, Cambridge, MA USA. [Brodrick, James] Bldg Technol Program, US Dept Energy, Washington, DC USA. RP Dieckmann, J (reprint author), TIAX LLC, Cambridge, MA USA. NR 10 TC 5 Z9 5 U1 0 U2 2 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 OCT PY 2008 VL 50 IS 10 BP 90 EP + PG 4 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 367RD UT WOS:000260569000015 ER PT J AU Lunine, JI Fischer, D Hammel, HB Henning, T Hillenbrand, L Kasting, J Laughlin, G Macintosh, B Marley, M Melnick, G Monet, D Noecker, C Peale, S Quirrenbach, A Seager, S Winn, JN AF Lunine, Jonathan I. Fischer, Debra Hammel, H. B. Henning, Thomas Hillenbrand, Lynne Kasting, James Laughlin, Greg Macintosh, Bruce Marley, Mark Melnick, Gary Monet, David Noecker, Charley Peale, Stan Quirrenbach, Andreas Seager, Sara Winn, Joshua N. TI Worlds Beyond: A Strategy for the Detection and Characterization of Exoplanets Executive Summary of a Report of the ExoPlanet Task Force Astronomy and Astrophysics Advisory Committee Washington, DC June 23, 2008 SO ASTROBIOLOGY LA English DT Editorial Material C1 [Lunine, Jonathan I.] Univ Arizona, Lunar & Planetary Lab, Tucson, AZ 85721 USA. [Fischer, Debra] San Francisco State Univ, San Francisco, CA 94132 USA. [Hammel, H. B.] Space Sci Inst, Boulder, CO USA. [Henning, Thomas] Max Planck Inst, Heidelberg, Germany. [Hillenbrand, Lynne] CALTECH, Pasadena, CA 91125 USA. [Kasting, James] Penn State Univ, University Pk, PA 16802 USA. [Laughlin, Greg] Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA. [Macintosh, Bruce] Lawrence Livermore Labs, Livermore, CA USA. [Marley, Mark] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. [Melnick, Gary] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Monet, David] US Naval Observ, Flagstaff, AZ USA. [Noecker, Charley] Ball Aerosp & Technol Corp, Boulder, CO USA. [Peale, Stan] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Quirrenbach, Andreas] Landessternwarte Heidelberg, Heidelberg, Germany. [Seager, Sara; Winn, Joshua N.] MIT, Cambridge, MA 02139 USA. RP Lunine, JI (reprint author), Univ Arizona, Lunar & Planetary Lab, 1629 E Univ Blvd, Tucson, AZ 85721 USA. EM jlunine@lpl.arizona.edu RI Marley, Mark/I-4704-2013; OI Fischer, Debra/0000-0003-2221-0861 NR 0 TC 18 Z9 18 U1 0 U2 5 PU MARY ANN LIEBERT INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 1531-1074 J9 ASTROBIOLOGY JI Astrobiology PD OCT PY 2008 VL 8 IS 5 BP 875 EP 881 DI 10.1089/ast.2008.0276 PG 7 WC Astronomy & Astrophysics; Biology; Geosciences, Multidisciplinary SC Astronomy & Astrophysics; Life Sciences & Biomedicine - Other Topics; Geology GA 391RJ UT WOS:000262250100001 PM 18800860 ER PT J AU Kosenko, D Vink, J Blinnikov, S Rasmussen, A AF Kosenko, D. Vink, J. Blinnikov, S. Rasmussen, A. TI XMM-Newton X-ray spectra of the SNR 0509-67.5: data and models SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE X-rays: individuals: SNR 0509-67.5; ISM: individual objects: SNR 0509-67.5; ISM: supernova remnants; methods: data analysis; hydrodynamics ID LARGE-MAGELLANIC-CLOUD; SUPERNOVA-REMNANTS; FAR-ULTRAVIOLET; IA SUPERNOVAE; THIN PLASMA; SPECTROSCOPY; SHOCK; ACCELERATION; CONSTRAINTS; IONIZATION AB Aims. We report on X-ray observations of the supernova remnant 0509-67.5 in the Large Magellanic Cloud acquired by the XMM-Newton X-ray observatory. We use the imaging spectroscopy (EPIC) and Reflective Grating Spectrometer (RGS) data to investigate properties of the remnant and its environment. Methods. The X-ray spectra were analyzed with SPEX software package. In addition, we performed a numerical hydrodynamic simulation of the remnant. Results. The EPIC data show prominent Fe K line emission, but the deduced overall amount of iron in the shocked ejecta is low. The data also show that the remnant has an asymmetric ejecta structure: the bright southwest region of the remnant shows an overabundance of metals. The analysis of the RGS spectrum shows that the remnant has a high line velocity broadening of 5000 km s(-1). We developed a hydrodynamical model for the remnant with basic hydrodynamical and spectral parameters that are similar to those observed. Conclusions. The data analysis indicates that the reverse shock just recently reached iron layers of the ejecta. The brightness enhancement in the southwest region could be a sign of an asymmetric explosion or it could be the result of a density enhancement in the interstellar medium. We constructed numerical models that are in good agreement with the observations, with circumstellar density of 3 x 10(-25) g/cm(3), age of similar to 400 years, velocities of similar to 5000 km s(-1), and an electron-to-ion temperature ratio of 10(-2). C1 [Kosenko, D.; Vink, J.] Univ Utrecht, Astron Inst Utrecht, NL-3508 TA Utrecht, Netherlands. [Vink, J.] SRON, Utrecht, Netherlands. [Kosenko, D.; Blinnikov, S.] Moscow MV Lomonosov State Univ, Sternberg Astron Inst, Moscow 119992, Russia. [Blinnikov, S.] Inst Theoret & Expt Phys, Moscow 117218, Russia. [Rasmussen, A.] Stanford Linear Accelerator Ctr, Menlo Pk, CA USA. RP Kosenko, D (reprint author), Univ Utrecht, Astron Inst Utrecht, POB 80000, NL-3508 TA Utrecht, Netherlands. EM D.Kosenko@astro.uu.nl FU Netherlands Organization for Scientific Research; RFBR [05-02-17480, 06-02-16025, 07-02-00961, 07-02-00830-a]; Russian Leading Scientific School Foundation [RLSS-2977.2008.2, RLSS-3884.2008.2]; Swiss National Science Foundation [IB7320-110996/1] FX We are grateful to the referee C. Badenes for valuable comments which helped to improve the paper. We also thank P. Lundqvist for providing his X-ray code which is incorporated in the package supremna, J. Kaastra for helpful advice on X-ray line emission issues, M. Gilfanov for valuable pointers to X- ray data sources and S. Woosley for his set of SNIa models used in our work.; DK and JV are supported by a Vidi grant from the Netherlands Organization for Scientific Research (PI J. Vink), The work of DK is also partially supported in Russia by RFBR under grants 05-02-17480, 06-02-16025, 07-02-00961, and by Russian Leading Scientific School Foundation under grant RLSS-2977.2008.2. SB is supported in Russia partly by grants RFBR 07-02-00830-a, RLSS-3884.2008.2 and by grant IB7320-110996/1 of the Swiss National Science Foundation. NR 41 TC 19 Z9 19 U1 0 U2 0 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 OCT PY 2008 VL 490 IS 1 BP 223 EP 230 DI 10.1051/0004-6361:200809495 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 359DM UT WOS:000259966600023 ER PT J AU Tanaka, M Finoguenov, A Kodama, T Morokuma, T Rosati, P Stanford, SA Eisenhardt, P Holden, B Mei, S AF Tanaka, M. Finoguenov, A. Kodama, T. Morokuma, T. Rosati, P. Stanford, S. A. Eisenhardt, P. Holden, B. Mei, S. TI The environmental dependence of properties of galaxies around the RDCSJ0910+54 cluster at z=1.1 SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE galaxies : evolution; galaxies : clusters : individual : DCSJ0910+54; cosmology : large-scale structure of Universe ID COLOR-MAGNITUDE RELATION; DIGITAL SKY SURVEY; HIGH-REDSHIFT CLUSTERS; LARGE-SCALE STRUCTURES; LUMINOSITY FUNCTION; DENSITY RELATION; STAR-FORMATION; LYNX SUPERCLUSTER; MASSIVE CLUSTER; POOR GROUPS AB We report on the environmental dependence of properties of galaxies around the RDCSJ0910+ 54 cluster at z = 1.1. We obtained multi-band wide-field images of the cluster with Suprime-Cam and MOIRCS on Subaru and WFCAM on UKIRT. Also, an intensive spectroscopic campaign was carried out using LRIS on Keck and FOCAS on Subaru. We collected 161 spectra with secure redshifts, with which we calibrated a larger sample of photometric redshifts. We discover a possible large-scale structure around the cluster in the form of three clumps of galaxies. Two out of the three newly discovered clumps of galaxies are detected as extended X-ray sources, suggesting that they are bound systems. There seem to be filaments of galaxies in between the clumps. This is potentially one of the largest structures found so far in the z > 1 Universe. We then examined stellar populations of galaxies in the structure. First, we quantified the color-radius relation. Red galaxies have already become the dominant population in the cores of rich clusters at z similar to 1, and the fraction of red galaxies has not strongly changed since then. The red fraction depends on the richness of clusters in the sense that it is higher in rich clusters than in poor groups. We confirm that this trend is not due to possible biases in photometric redshifts. Next, we examined red sequence galaxies. The luminosity function of red galaxies in rich clusters is consistent with one in local clusters. On the other hand, the luminosity function of red galaxies in poor groups shows a deficit of faint red galaxies. This confirms our earlier findings that galaxies follow an environment-dependent down-sizing evolution. Interestingly, the truncation magnitude of the red sequence appears brighter than found in the RDCS J1252-29 field at z = 1.24. This suggests that there is a large variation in the evolutionary phases of galaxies in groups with similar masses. Further studies of high redshift clusters will be a promising way of addressing the role of nature and nurture effects in shaping the environmental dependence of galaxy properties observed in the local Universe. C1 [Tanaka, M.; Rosati, P.] European So Observ, D-85748 Garching, Germany. [Finoguenov, A.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Finoguenov, A.] Univ Maryland, Baltimore, MD 21250 USA. [Kodama, T.; Morokuma, T.] Natl Astron Observ Japan, Mitaka, Tokyo 1818588, Japan. [Stanford, S. A.] Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. [Stanford, S. A.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Eisenhardt, P.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Holden, B.] Univ Calif Santa Cruz, Lick Observ, UCO, Santa Cruz, CA 95065 USA. [Mei, S.] Univ Paris Denis Diderot, F-75205 Paris 13, France. [Mei, S.] Observ Paris, Sect Meudon, GEPI, F-92195 Meudon, France. RP Tanaka, M (reprint author), European So Observ, Karl Schwarzschild Str 2, D-85748 Garching, Germany. EM mtanaka@eso.org NR 57 TC 25 Z9 25 U1 0 U2 0 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 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD OCT PY 2008 VL 489 IS 2 BP 571 EP U43 DI 10.1051/0004-6361:200810440 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 353XD UT WOS:000259601500017 ER PT J AU Catanesi, MG Radicioni, E Edgecock, R Ellis, M Gossling, C Bunyatov, S Krasnoperov, A Popov, B Tereschenko, V di Capua, E Vidal-Sitjes, G Artamonov, A Giani, S Gilardoni, S Gorbunov, P Grant, A Grossheim, A Ivanchenko, A Ivanchenko, V Kayis-Topaksu, A Panman, J Papadopoulos, I Tcherniaev, E Tsukerman, I Wiebusch, C Zucchelli, P Blondel, A Borghi, S Morone, MC Prior, G Schroeter, R Meurer, C Gastaldi, U Mills, GB Graulich, JS Gregoire, G Bonesini, M Ferri, F Kirsanov, M Bagulya, A Grichine, V Polukhina, N Palladino, V Coney, L Schmitz, D Barr, G Bobisut, F Gibin, D Guglielmi, A Mezzetto, M Dumarchez, J Dore, U Orestano, D Pastore, F Tonazzo, A Tortora, L Booth, C Howlett, L Bogomilov, M Kolev, D Tsenov, R Piperov, S Temnikov, P Apollonio, M Chimenti, P Giannini, G Burguet-Castell, J Cervera-Villanueva, A Gomez-Cadenas, JJ Martin-Albo, J Sorel, M AF Catanesi, M. G. Radicioni, E. Edgecock, R. Ellis, M. Gossling, C. Bunyatov, S. Krasnoperov, A. Popov, B. Tereschenko, V. di Capua, E. Vidal-Sitjes, G. Artamonov, A. Giani, S. Gilardoni, S. Gorbunov, P. Grant, A. Grossheim, A. Ivanchenko, A. Ivanchenko, V. Kayis-Topaksu, A. Panman, J. Papadopoulos, I. Tcherniaev, E. Tsukerman, I. Wiebusch, C. Zucchelli, P. Blondel, A. Borghi, S. Morone, M. C. Prior, G. Schroeter, R. Meurer, C. Gastaldi, U. Mills, G. B. Graulich, J. S. Gregoire, G. Bonesini, M. Ferri, F. Kirsanov, M. Bagulya, A. Grichine, V. Polukhina, N. Palladino, V. Coney, L. Schmitz, D. Barr, G. Bobisut, F. Gibin, D. Guglielmi, A. Mezzetto, M. Dumarchez, J. Dore, U. Orestano, D. Pastore, F. Tonazzo, A. Tortora, L. Booth, C. Howlett, L. Bogomilov, M. Kolev, D. Tsenov, R. Piperov, S. Temnikov, P. Apollonio, M. Chimenti, P. Giannini, G. Burguet-Castell, J. Cervera-Villanueva, A. Gomez-Cadenas, J. J. Martin-Albo, J. Sorel, M. CA Harp Collaboration TI Forward pi(+/-) production in p-O-2 and p-N-2 interactions at 12 GeV/c SO ASTROPARTICLE PHYSICS LA English DT Article DE EAS; Hadronic cross-sections ID PRODUCTION CROSS-SECTION; LARGE-ANGLE PRODUCTION; PARTICLE-PRODUCTION; CHARGED PIONS; POSITIVE PIONS; PROTONS; BERYLLIUM; COLLISIONS; HARP; MOMENTUM AB Measurements of double-differential charged pion production cross-sections in interactions of 12 GeV/c protons on O-2 and N-2 thin targets are presented in the kinematic range 0.5 GeV/c <= p(pi) < 8 GeV/c and 50 mrad <= 0(pi) < 250 mrad (in the laboratory frame) and are compared with p-C results. For p-N-2 (p-O-2) interactions the analysis is performed using 38576 (7522) reconstructed secondary pions. The analysis uses the beam instrumentation and the forward spectrometer of the HARP experiment at CERN PS. The measured cross-sections have a direct impact on the precise calculation of atmospheric neutrino fluxes and on the improved reliability of extensive air shower simulations by reducing the uncertainties of hadronic interaction models in the low energy range. In particular, the present results allow the common hypothesis that p-C data can be used to predict the p-N-2 and p-O-2 pion production cross-sections to be tested. (C) 2008 Elsevier B.V. All rights reserved. C1 [Catanesi, M. G.; Radicioni, E.] Sezione Ist Nazl Fis Nucl, Bari, Italy. [Edgecock, R.; Ellis, M.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Gossling, C.] Univ Dortmund, Inst Phys, D-44221 Dortmund, Germany. [Bunyatov, S.; Krasnoperov, A.; Popov, B.; Tereschenko, V.] Joint Inst Nucl Res Dubna, Dubna, Russia. [di Capua, E.; Vidal-Sitjes, G.] Univ Ferrara, I-44100 Ferrara, Italy. [Artamonov, A.; Giani, S.; Gilardoni, S.; Gorbunov, P.; Grant, A.; Grossheim, A.; Ivanchenko, A.; Ivanchenko, V.; Kayis-Topaksu, A.; Panman, J.; Papadopoulos, I.; Tcherniaev, E.; Tsukerman, I.; Wiebusch, C.; Zucchelli, P.] CERN, Geneva, Switzerland. [Blondel, A.; Borghi, S.; Morone, M. C.; Prior, G.; Schroeter, R.] Univ Geneva, Sect Phys, CH-1211 Geneva 4, Switzerland. [Gastaldi, U.] Ist Nazl Fis Nucl, Lab Nazl Legnaro, Legnaro, Italy. [Mills, G. B.] Los Alamos Natl Lab, Los Alamos, NM USA. [di Capua, E.; Vidal-Sitjes, G.] Sezione Ist Nazl Fis Nucl, Ferrara, Italy. [Graulich, J. S.; Gregoire, G.] UCL, Inst Phys Nucl, Louvain, Belgium. [Bonesini, M.; Ferri, F.] Sez INFN Milano Biococca, Milan, Italy. [Kirsanov, M.] Inst Nucl Res, Moscow, Russia. [Bagulya, A.; Grichine, V.; Polukhina, N.] Russian Acad Sci, PN Lebedev Phys Inst FIAN, Moscow, Russia. [Palladino, V.] Univ Naples Federico II, Naples, Italy. [Palladino, V.] Sezione Ist Nazl Fis Nucl, Naples, Italy. [Coney, L.; Schmitz, D.] Columbia Univ, New York, NY USA. [Barr, G.] Univ Oxford, Nucl & Astrophys Lab, Oxford OX1 2JD, England. [Bobisut, F.; Gibin, D.] Univ Padua, Padua, Italy. [Bobisut, F.; Gibin, D.; Guglielmi, A.; Mezzetto, M.] Sezione Ist Nazl Fis Nucl, Padua, Italy. [Dumarchez, J.] Univ Paris 06, LPNHE, Paris, France. [Dumarchez, J.] Univ Paris 07, LPNHE, Paris, France. [Dore, U.] Univ Roma La Sapienza, Rome, Italy. [Dore, U.] Sez INFN Roma 1, Rome, Italy. [Orestano, D.; Pastore, F.; Tonazzo, A.] Univ Roma 3, Rome, Italy. [Meurer, C.] Forschungszentrum Karlsruhe, Inst Phys, Karlsruhe, Germany. [Orestano, D.; Pastore, F.; Tonazzo, A.; Tortora, L.] Sez INFN Roma 3, Rome, Italy. [Booth, C.; Howlett, L.] Univ Sheffield, Dept Phys, Sheffield S10 2TN, S Yorkshire, England. [Bogomilov, M.; Kolev, D.; Tsenov, R.] Sofia Univ St Kliment Ohridski, Fac Phys, Sofia, Bulgaria. [Piperov, S.; Temnikov, P.] Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, Sofia, Bulgaria. [Apollonio, M.; Chimenti, P.; Giannini, G.] Univ Trieste, Trieste, Italy. [Apollonio, M.; Chimenti, P.; Giannini, G.] Sezione Ist Nazl Fis Nucl, Trieste, Italy. [Burguet-Castell, J.; Cervera-Villanueva, A.; Gomez-Cadenas, J. J.; Martin-Albo, J.; Sorel, M.] Univ Valencia, E-46003 Valencia, Spain. RP Bonesini, M (reprint author), FNAL, Batavia, IL USA. EM maurizio.bonesini@mib.infn.it RI Booth, Christopher/B-5263-2016; Graulich, Jean-Sebastien/B-4806-2009; Chimenti, Pietro/F-9898-2012; Wiebusch, Christopher/G-6490-2012; Prior, Gersende/I-8191-2013; Bagulya, Alexander/D-4273-2014; Gomez Cadenas, Juan Jose/L-2003-2014; Grichine, Vladimir/M-8526-2015; Polukhina, Natalia/E-1610-2014; Tcherniaev, Evgueni/G-3453-2016; Morone, Maria Cristina/P-4407-2016; Temnikov, Petar/L-6999-2016 OI Booth, Christopher/0000-0002-6051-2847; Bonesini, Maurizio/0000-0001-5119-1896; Sorel, Michel/0000-0003-2141-9508; Martin-Albo, Justo/0000-0002-7318-1469; Schmitz, David/0000-0003-2165-7389; Prior, Gersende/0000-0002-6058-1420; Chimenti, Pietro/0000-0002-9755-5066; Wiebusch, Christopher/0000-0002-6418-3008; Gomez Cadenas, Juan Jose/0000-0002-8224-7714; Tcherniaev, Evgueni/0000-0002-3685-0635; Morone, Maria Cristina/0000-0002-0200-0632; Temnikov, Petar/0000-0002-9559-3384 FU Institut Interuniversitaire des Sciences Nucleaires; Interuniversitair Instituut voor Kernwetenschappen (Belgium); Ministerio de Educacion y Ciencia [FPA2003-06921-c02-02]; Generalitat Valenciana [GV00-054-1]; CERN (Geneva, Switzerland); German Bundesministerium fur Bildung und Forschung (Germany); Istituto Nazionale di Fisica Nucleare (Italy); INR RAS (Moscow); Particle Physics and Astronomy Research Council (UK) FX The experiment was made possible by grants from the Institut Interuniversitaire des Sciences Nucleaires and the Interuniversitair Instituut voor Kernwetenschappen (Belgium), Ministerio de Educacion y Ciencia, Grant FPA2003-06921-c02-02 and Generalitat Valenciana, grant GV00-054-1, CERN (Geneva, Switzerland), the German Bundesministerium fur Bildung und Forschung (Germany), the Istituto Nazionale di Fisica Nucleare (Italy), INR RAS (Moscow) and the Particle Physics and Astronomy Research Council (UK). We gratefully acknowledge their support. NR 56 TC 13 Z9 13 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-6505 EI 1873-2852 J9 ASTROPART PHYS JI Astropart Phys. PD OCT PY 2008 VL 30 IS 3 BP 124 EP 132 DI 10.1016/j.astropartphys.2008.07.007 PG 9 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 372DE UT WOS:000260881100002 ER PT J AU Morlat, T Felizardo, M Giuliani, F Girard, TA Waysand, G Payne, RF Miley, HS Ramos, AR Marques, JG Martins, RC Limagne, D AF Morlat, T. Felizardo, M. Giuliani, F. Girard, T. A. Waysand, G. Payne, R. F. Miley, H. S. Ramos, A. R. Marques, J. G. Martins, R. C. Limagne, D. CA Simple Collaboration TI A CF3I-based SDD prototype for spin-independent dark matter searches SO ASTROPARTICLE PHYSICS LA English DT Article DE Dark matter; Superheated liquids ID SUPERHEATED DROPLET DETECTOR; ACOUSTIC INSTRUMENTATION; BUBBLE-CHAMBER; CROSS-SECTION; LARGE-MASS; LIMITS; SPECTROMETRY AB The application of superheated droplet detectors (SDDs) to dark matter searches has so far been confined to the light nuclei refrigerants C2CIF5 and C4F10 (SIMPLE and PICASSO, respectively), with a principle sensitivity to spin-dependent interactions. Given the competitive results of these devices, as a result of their intrinsic insensitivity to backgrounds, we have developed a prototype trifluoroiodomethane (CF3I)-loaded SDD with increased sensitivity to spin-independent interactions as well. A low (0.102 kgd) exposure test operation of two high concentration, I I devices is described, and the results compared with leading experiments in both spin-dependent and -independent sectors. Although competitive in both sectors when the difference in exposures is accounted for, a problem with fracturing of the detector gel must be addressed before significantly larger exposures can be envisioned. (C) 2008 Elsevier B.V. All rights reserved. C1 [Morlat, T.; Felizardo, M.; Giuliani, F.; Girard, T. A.; Ramos, A. R.; Marques, J. G.] Univ Lisbon, Ctr Fis Nucl, P-1649003 Lisbon, Portugal. [Felizardo, M.; Martins, R. C.] IST, Inst Telecomunicacoes, P-1049001 Lisbon, Portugal. [Felizardo, M.; Ramos, A. R.; Marques, J. G.] Inst Tecnol & Nucl, P-2686953 Sacavem, Portugal. [Waysand, G.] Univ Nice Sophia Antipolis, Lab Souterrain & Bas Bruit, F-84400 Rustrel Pays Dapt, France. [Payne, R. F.; Miley, H. S.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Limagne, D.] INSP, F-75015 Paris, France. RP Girard, TA (reprint author), Univ Lisbon, Ctr Fis Nucl, P-1649003 Lisbon, Portugal. EM criodets@cii.fc.ul.pt RI Marques, Jose/H-6145-2011; Lopes Ramos Wahl, Ana Rita/C-1337-2012; Martins, Raul/A-6289-2013; Felizardo, Miguel/N-1798-2015; OI Marques, Jose/0000-0002-3724-5664; Lopes Ramos Wahl, Ana Rita/0000-0001-6652-7698; Martins, Raul/0000-0002-9517-5238; Felizardo, Miguel/0000-0002-6458-1428; Girard, Thomas/0000-0003-4113-880X NR 38 TC 17 Z9 18 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-6505 EI 1873-2852 J9 ASTROPART PHYS JI Astropart Phys. PD OCT PY 2008 VL 30 IS 3 BP 159 EP 166 DI 10.1016/j.astropartphys.2008.08.002 PG 8 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 372DE UT WOS:000260881100006 ER PT J AU Tanaka, T Uchiyama, Y Aharonian, FA Takahashi, T Bamba, A Hiraga, JS Kataoka, J Kishishita, T Kokubun, M Mori, K Nakazawa, K Petre, R Tajima, H Watanabe, S AF Tanaka, Takaaki Uchiyama, Yasunobu Aharonian, Felix A. Takahashi, Tadayuki Bamba, Aya Hiraga, Junko S. Kataoka, Jun Kishishita, Tetsuichi Kokubun, Motohide Mori, Koji Nakazawa, Kazuhiro Petre, Robert Tajima, Hiroyasu Watanabe, Shin TI Study of nonthermal emission from SNR RX J1713.7-3946 with Suzaku SO ASTROPHYSICAL JOURNAL LA English DT Article DE acceleration of particles; ISM : individual (RX J1713.7-3946); supernova remnants; X-rays : ISM ID SUPERNOVA-REMNANT G347.3-0.5; X-RAY-EMISSION; MONTE-CARLO SIMULATOR; PARTICLE-ACCELERATION; BOARD SUZAKU; COSMIC-RAYS; MOLECULAR CLOUDS; DETECTOR HXD; SHOCK-WAVES; XMM-NEWTON AB We present results obtained from a series of observations of the supernova remnant RX J1713.7-3946 by Suzaku. Hard X-rays have been detected up to similar to 40 keV. The hard X-ray spectra are described by a power law with photon indices of similar to 3.0, which is larger than those below 10 keV. The combination of the spatially integrated XIS and HXD spectra clearly reveals a spectral cutoff which is linked to the maximum energy of accelerated electrons. The broad-band coverage of Suzaku allows us to derive, for the first time, the energy spectrum of parent electrons in the cutoff region. The cutoff energy in the X-ray spectrum indicates that the electron acceleration in the remnant proceeds close to the Bohm diffusion limit. We discuss the implications of the spectral and morphological properties of the Suzaku data in the context of the origin of nonthermal emission. The Suzaku X-ray and H.E.S.S. gamma-ray data together hardly can be explained within a pure leptonic scenario. Moreover, the leptonic models require a weak magnetic field, which is inconsistent with the recently discovered X-ray filamentary structures and their short-term variability. The hadronic models with strong magnetic fields provide reasonable fits to the observed spectra, but require special arrangements of parameters to explain the lack of thermal X-ray emission. For morphology studies, we compare the X-ray and TeV gamma-ray surface brightness. We confirm the previously reported strong correlation between X-rays and TeV gamma rays. At the same time, the Suzaku data reveal a deviation from the general tendency, namely, the X-ray emission in the western rims appears brighter than expected from the average X-ray to gamma-ray ratio. C1 [Tanaka, Takaaki; Uchiyama, Yasunobu; Takahashi, Tadayuki; Bamba, Aya; Kishishita, Tetsuichi; Kokubun, Motohide; Watanabe, Shin] Japan Aerosp Explorat Agcy, Inst Space & Astronaut Sci, Dept High Energy Astrophys, Sagamihara, Kanagawa 2298510, Japan. [Tanaka, Takaaki; Tajima, Hiroyasu] Stanford Linear Accelerator Ctr, Kavli Inst Particle Astrophys & Cosmol, Menlo Pk, CA 94025 USA. [Aharonian, Felix A.] Dublin Inst Adv Studies, Dublin 2, Ireland. [Aharonian, Felix A.] Max Planck Inst Kernphys, D-69029 Heidelberg, Germany. [Takahashi, Tadayuki; Kishishita, Tetsuichi; Nakazawa, Kazuhiro] Univ Tokyo, Dept Phys, Bunkyo Ku, Tokyo 1130033, Japan. [Hiraga, Junko S.] RIKEN, Cosm Radiat Lab, Wako, Saitama 3510198, Japan. [Kataoka, Jun] Tokyo Inst Technol, Dept Phys, Meguro Ku, Tokyo 1528551, Japan. [Mori, Koji] Miyazaki Univ, Dept Appl Phys, Miyazaki 8892192, Japan. [Petre, Robert] NASA, Goddard Space Flight Ctr, Xray Astrophys Lab, Greenbelt, MD 20771 USA. RP Tanaka, T (reprint author), Japan Aerosp Explorat Agcy, Inst Space & Astronaut Sci, Dept High Energy Astrophys, 3-1-1 Yoshinodai, Sagamihara, Kanagawa 2298510, Japan. RI XRAY, SUZAKU/A-1808-2009 FU Japan Society for the Promotion of Science for Young Scientists FX The authors would like to thank all the members of the Suzaku Science Working Group for their help in the spacecraft operation, instrumental calibration, and data processing. The authors thank Una Hwang for carefully reading the manuscript and Stefan Funk for assisting with the comparison of the morphologies with the H.E.S.S. data and for his helpful comments on the manuscript. The authors also thank Misha Malkov and Vladimir Zirakashvili for discussions related to different aspects of the diffusive shock acceleration theory. T. Tanaka and A. Bamba are supported by research fellowships of the Japan Society for the Promotion of Science for Young Scientists. NR 52 TC 77 Z9 77 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD OCT 1 PY 2008 VL 685 IS 2 BP 988 EP 1004 DI 10.1086/591020 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 353FA UT WOS:000259550300025 ER PT J AU Israel, GL Romano, P Mangano, V Dall'Osso, S Chincarini, G Stella, L Campana, S Belloni, T Tagliaferri, G Blustin, AJ Sakamoto, T Hurley, K Zane, S Moretti, A Palmer, D Guidorzi, C Burrows, DN Gehrels, N Krimm, HA AF Israel, G. L. Romano, P. Mangano, V. Dall'Osso, S. Chincarini, G. Stella, L. Campana, S. Belloni, T. Tagliaferri, G. Blustin, A. J. Sakamoto, T. Hurley, K. Zane, S. Moretti, A. Palmer, D. Guidorzi, C. Burrows, D. N. Gehrels, N. Krimm, H. A. TI A Swift gaze into the 2006 March 29 burst forest of SGR 1900+14 SO ASTROPHYSICAL JOURNAL LA English DT Article DE pulsars : individual (SGR 1900+14); stars : flare; stars : neutron; X-rays : bursts ID SOFT GAMMA-REPEATERS; MAGNETIZED NEUTRON-STARS; X-RAY-EMISSION; SGR 1900+14; GIANT FLARE; RADIATIVE MECHANISM; DISCOVERY; SGR-1806-20; TELESCOPE; PERSISTENT AB In 2006 March the soft gamma-ray repeater SGR 1900+14 resumed its bursting activity after similar to 2 yr of quiescence. The Swift mission observed the source several times. We report on the intense burst "forest'' recorded on March 29, which lasted for similar to 30 s, when Swift was pointing at the source with the narrow field of view instruments. More than 40 bursts were detected by BAT and XRT, 7 of which were rare intermediate flares (IFs). The BAT data were used to carry out time-resolved spectroscopy in the 14-100 keV range down to 8 ms timescales. BAT and XRT simultaneous data were used to characterize the broadband energy spectra of IFs and verify the results obtained from the BAT-only spectral fits. This unique data set allowed us to test the magnetar model predictions, such as the magnetically trapped fireball and twisted magnetosphere, over an unprecedented range of fluxes and with large statistics. We confirmed that a two-blackbody component adequately fits the time-resolved and integrated spectra of IFs. However, Comptonization models give comparably good reduced chi(2). Moreover, we found a change of behavior, around similar to 10(41) erg s(-1), above which the softer blackbody shows a sort of saturation, while the harder one still grows to a few times 10(41) erg s(-1), and a rather sharp correlation between temperature and radii of the blackbodies (R-2 proportional to kT(-3)), which holds for the most luminous parts of the flares (similar to L-tot >= 10(41) erg s(-1)). Within the magnetar model, the majority of these findings are accounted for in terms of thermalized emission from the E-mode and O-mode photospheres. Interestingly, the maximum observed luminosity coming from a region of similar to 15 km matches the magnetic Eddington luminosity at the same radius, for a surface dipole field of similar to 8 x 10(14) G (virtually equal to that deduced from the spin-down of SGR 1900+14). C1 [Israel, G. L.; Dall'Osso, S.; Stella, L.] INAF Osservatorio Astron Roma, I-00040 Monte Porzio Catone, Roma, Italy. [Romano, P.; Chincarini, G.; Campana, S.; Belloni, T.; Tagliaferri, G.; Moretti, A.; Guidorzi, C.] INAF Osservatorio Astron Brera, I-23807 Merate, Italy. [Romano, P.; Chincarini, G.; Guidorzi, C.] Univ Milan, I-20126 Milan, Italy. [Romano, P.; Mangano, V.] INAF Ist Astrofis Spaziale & Fis Cosmica Sezione, I-90146 Palermo, Italy. [Dall'Osso, S.] Univ Pisa, Dipartmento Fis Enrico Fermi, I-56127 Pisa, Italy. [Blustin, A. J.; Zane, S.] UCL, Mullard Space Sci Lab, Dorking RH5 6NT, Surrey, England. [Sakamoto, T.; Gehrels, N.; Krimm, H. A.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Hurley, K.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Palmer, D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Burrows, D. N.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Krimm, H. A.] Univ Space Res Assoc, Columbia, MD 21044 USA. RP Israel, GL (reprint author), INAF Osservatorio Astron Roma, Via Frascati 33, I-00040 Monte Porzio Catone, Roma, Italy. EM gianluca@mporzio.astro.it; stella@mporzio.astro.it RI Gehrels, Neil/D-2971-2012; OI moretti, alberto/0000-0002-9770-0315; Israel, GianLuca/0000-0001-5480-6438; Tagliaferri, Gianpiero/0000-0003-0121-0723 FU Agenzia Spazialc Italiana (ASI) [I/011/07/0, I/088/06/0]; Ministero dell'Istruzione; Universita e Ricerca Scientifica e Tecnologica (MIUR-COFIN); Istituto Nazionale di Astrofisica (INAF); MIUR [2005025417] FX This work is partially supported at OAR through Agenzia Spazialc Italiana (ASI), Ministero dell'Istruzione, Universita e Ricerca Scientifica e Tecnologica (MIUR-COFIN), and Istituto Nazionale di Astrofisica (INAF) grants. This work is supported at OAB and OAR by ASI grants I/011/07/0 and I/088/06/0 and at OAB by MIUR PRIN 2005025417. We gratefully acknowledge the contributions of dozens of members of the BAT, XRT, and UVOT Teams at OAB, PSU, UL, GSFC, ASDC, and MSSL and their subcontractors, who helped make the Swift mission possible. G. L. I. would like to thank Alaa Ibrahim for useful discussions on the comparison between the burst spectral properties of SGR 1806-20 and SGR 1900+14, Marco Feroci for comparison with burst properties of SGR 1900+14 as observed by BeppoSAX, and Peter Woods for careful reading of the manuscript and valuable suggestions for its improvement. NR 53 TC 50 Z9 50 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD OCT 1 PY 2008 VL 685 IS 2 BP 1114 EP 1128 DI 10.1086/590486 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 353FA UT WOS:000259550300037 ER PT J AU Seitenzahl, IR Timmes, FX Marin-Lafleche, A Brown, E Magkotsios, G Truran, J AF Seitenzahl, I. R. Timmes, F. X. Marin-Lafleche, A. Brown, E. Magkotsios, G. Truran, J. TI PROTON-RICH NUCLEAR STATISTICAL EQUILIBRIUM SO ASTROPHYSICAL JOURNAL LETTERS LA English DT Article DE nuclear reactions; nucleosynthesis; abundances ID EQUATION-OF-STATE; NUCLEOSYNTHESIS; HYDRODYNAMICS; CONSISTENCY; ACCURACY; SPEED; WINDS AB Proton-rich material in a state of nuclear statistical equilibrium (NSE) is one of the least studied regimes of nucleosynthesis. One reason for this is that after hydrogen burning, stellar evolution proceeds at conditions of an equal number of neutrons and protons or at a slight degree of neutron-richness. Proton-rich nucleosynthesis in stars tends to occur only when hydrogen-rich material that accretes onto a white dwarf or a neutron star explodes, or when neutrino interactions in the winds from a nascent proto-neutron star or collapsar disk drive the matter proton-rich prior to or during the nucleosynthesis. In this Letter we solve the NSE equations for a range of proton-rich thermodynamic conditions. We show that cold proton-rich NSE is qualitatively different from neutron-rich NSE. Instead of being dominated by the Fe-peak nuclei with the largest binding energy per nucleon that have a proton-to-nucleon ratio close to the prescribed electron fraction, NSE for proton-rich material near freezeout temperature is mainly composed of (56)Ni and free protons. Previous results of nuclear reaction network calculations rely on this nonintuitive high-proton abundance, which this Letter explains. We show how the differences and especially the large fraction of free protons arises from the minimization of the free energy as a result of a delicate competition between the entropy and nuclear binding energy. C1 [Seitenzahl, I. R.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Truran, J.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Timmes, F. X.] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 85287 USA. [Marin-Lafleche, A.; Truran, J.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Marin-Lafleche, A.] Ecole Polytech, Dept Phys & Astron, Palaiseau, France. [Brown, E.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Magkotsios, G.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Truran, J.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Seitenzahl, IR (reprint author), Univ Chicago, Dept Phys, Chicago, IL 60637 USA. OI Seitenzahl, Ivo/0000-0002-5044-2988; Brown, Edward/0000-0003-3806-5339 FU DoE [B523820]; NSF [PHY 02-16783, AST 05-07456]; US DoE, Office of Nuclear Physics [DE-AC02-06CH11357] FX This work is supported at the University of Chicago by the DoE under grant B523820 to the ASC/Alliances Center for Astrophysical Thermonuclear Flashes, and the NSF under grant PHY 02-16783 for the Frontier Center "Joint Institute for Nuclear Astrophysics" (JINA), and at ANL by the US DoE, Office of Nuclear Physics, under contract DE-AC02-06CH11357. E. F. B. is supported by the NSF under grant AST 05-07456. NR 16 TC 25 Z9 25 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND J9 ASTROPHYS J LETT JI Astrophys. J. Lett. PD OCT 1 PY 2008 VL 685 IS 2 BP L129 EP L132 DI 10.1086/592501 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 398PW UT WOS:000262745000008 ER PT J AU Zhang, ZW Bianco, FB Lehner, MJ Coehlo, NK Wang, JH Mondal, S Alcock, C Axelrod, T Byun, YI Chen, WP Cook, KH Dave, R de Pater, I Porrata, R Kim, DW King, SK Lee, T Lin, HC Lissauer, JJ Marshall, SL Protopapas, P Rice, JA Schwamb, ME Wang, SY Wen, CY AF Zhang, Z. -W. Bianco, F. B. Lehner, M. J. Coehlo, N. K. Wang, J. -H. Mondal, S. Alcock, C. Axelrod, T. Byun, Y. -I. Chen, W. P. Cook, K. H. Dave, R. de Pater, I. Porrata, R. Kim, D. -W. King, S. -K. Lee, T. Lin, H. -C. Lissauer, J. J. Marshall, S. L. Protopapas, P. Rice, J. A. Schwamb, M. E. Wang, S. -Y. Wen, C. -Y. TI FIRST RESULTS FROM THE TAIWANESE-AMERICAN OCCULTATION SURVEY (TAOS) SO ASTROPHYSICAL JOURNAL LETTERS LA English DT Article DE Kuiper Belt; occultations; solar system: formation ID KUIPER-BELT OBJECTS; STELLAR OCCULTATIONS; SIZE DISTRIBUTION; MILLISECOND DIPS; SOLAR-SYSTEM; ACCRETION; BODIES; SEARCH; X-1 AB Results from the first 2 years of data from the Taiwanese-American Occultation Survey (TAOS) are presented. Stars have been monitored photometrically at 4 or 5 Hz to search for occultations by small (similar to 3 km) Kuiper Belt objects (KBOs). No statistically significant events were found, allowing us to present an upper bound to the size distribution of KBOs with diameters 0.5 km < D < 28 km. C1 [Zhang, Z. -W.; Wang, J. -H.; Mondal, S.; Chen, W. P.; Lin, H. -C.] Natl Cent Univ, Inst Astron, Jhongli 320, Taoyuan County, Taiwan. [Bianco, F. B.] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Bianco, F. B.; Lehner, M. J.; Alcock, C.; Protopapas, P.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Lehner, M. J.; Wang, J. -H.; King, S. -K.; Lee, T.; Wang, S. -Y.; Wen, C. -Y.] Acad Sinica, Inst Astron & Astrophys, Taipei 106, Taiwan. [Coehlo, N. K.; Rice, J. A.] Univ Calif Berkeley, Dept Stat, Berkeley, CA 94720 USA. [Axelrod, T.] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. [Byun, Y. -I.; Kim, D. -W.] Yonsei Univ, Dept Astron, Seoul 120749, South Korea. [Cook, K. H.; Marshall, S. L.] Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. [Dave, R.] Harvard Univ, Initiat Innovat Comp, Cambridge, MA 02138 USA. [de Pater, I.; Porrata, R.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Lissauer, J. J.] NASA, Ames Res Ctr, Space Sci & Astrobiol Div 245 3, Moffett Field, CA 94035 USA. [Marshall, S. L.] Kavli Inst Particle Astrophys & Cosmol, Menlo Pk, CA 94025 USA. [Schwamb, M. E.] CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA. RP Zhang, ZW (reprint author), Natl Cent Univ, Inst Astron, 300 Jhongda Rd, Jhongli 320, Taoyuan County, Taiwan. EM s1249001@cc.ncu.edu.tw RI Lee, Typhoon/N-8347-2013; OI Schwamb, Megan/0000-0003-4365-1455; Lehner, Matthew/0000-0003-4077-0985 FU NSC [96-2112-M008-024-MY3]; NSF [AST 05-01681, DMS-0405777]; NASA [NNG04G113G, NASA/PGG]; thematic research program [AS-88-TP-A02]; KRCF; US DOE [W-7405-Eng-48, DE-AC52-07NA27344, DE-AC02-76SF00515] FX Work at NCU was supported by the grant NSC 96-2112-M008-024-MY3. Work at the CfA was supported in part by the NSF under grant AST 05-01681 and by NASA under grant NNG04G113G. Work at ASIAA was supported in part by the thematic research program AS-88-TP-A02. Work at UCB was supported by the NSF under grant DMS-0405777. Work at Yonsei was supported by the KRCF grant to Korea Astronomy and Space Science Institute. Work at LLNL was performed under the auspices of the US DOE in part under contract W-7405-Eng-48 and contract DE-AC52-07NA27344. Work at SLAC was performed under US DOE contract DE-AC02-76SF00515. Work at NASA Ames was funded by NASA/PG&G. NR 26 TC 21 Z9 21 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND J9 ASTROPHYS J LETT JI Astrophys. J. Lett. PD OCT 1 PY 2008 VL 685 IS 2 BP L157 EP L160 DI 10.1086/592741 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 398PW UT WOS:000262745000015 ER PT J AU Potempski, S Galmarini, S Addis, R Astrup, P Bader, S Bellasio, R Bianconi, R Bonnardot, F Buckley, R D'Amours, R van Dijk, A Geertsema, G Jones, A Kaufmann, P Pechinger, U Persson, C Polreich, E Prodanova, M Robertson, L Sorensen, J Syrakov, D AF Potempski, S. Galmarini, S. Addis, R. Astrup, P. Bader, S. Bellasio, R. Bianconi, R. Bonnardot, F. Buckley, R. D'Amours, R. van Dijk, A. Geertsema, G. Jones, A. Kaufmann, P. Pechinger, U. Persson, C. Polreich, E. Prodanova, M. Robertson, L. Sorensen, J. Syrakov, D. TI Multi-model ensemble analysis of the ETEX-2 experiment SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Multi-model ensemble; Percentile models ID EMERGENCY RESPONSE SYSTEM; MODELING SYSTEM; DISPERSION MODEL; VALIDATION; PERFORMANCE; ACCIDENT; RELEASE; OZONE AB In this paper we investigate the results of multi-model simulations performed on the ETEX-2 experiment by the ENSEMBLE modelling community. New sets of results were created by taking different percentiles of the distribution of the models' predicted values. Both single models and the new constructed sets of results have been compared with the observed data. While a similar comparison for the ETEX-1 case indicated the median model was superior to any single model, for the ETEX-2 case, the situation is more difficult due to complex meteorological conditions, and no absolute and clear conclusions can be obtained. However, for emergency response purposes the median model still can be considered the most viable option also for complicated meteorological situation such is the ETEX-2 experiment. (c) 2008 Elsevier Ltd. All rights reserved. C1 [Potempski, S.; Galmarini, S.] Commiss European Communities, DG Joint Res Ctr, Inst Environm & Sustainabil, I-21027 Ispra, VA, Italy. [Potempski, S.] Inst Atom Energy, PL-05400 Otwock, Poland. [Bellasio, R.; Bianconi, R.] Enviroware Srl C Dir Colleoni, I-20041 Agrate Brianza, Italy. [Addis, R.; Buckley, R.] Savannah River Natl Lab, Aiken, SC 29808 USA. [Astrup, P.] Riso Natl Lab, DTU, Wind Energy Dept, DK-4000 Roskilde, Denmark. [Bader, S.; van Dijk, A.] RIVM Lab Radiat Res, Bilthoven, Netherlands. [Bonnardot, F.] Meteo France, F-31310 Montesquieu Volvestre, France. [D'Amours, R.] Environm Canada, Dorval, PQ H9P 1J3, Canada. [Jones, A.] Met Off, Exeter EX1 3PB, Devon, England. [Kaufmann, P.] Meteoswiss, CH-8044 Zurich, Switzerland. [Pechinger, U.; Polreich, E.] Zentralanstalt Meteorol & Geodynam, A-1191 Vienna, Austria. [Persson, C.; Robertson, L.] SMHI, SE-60176 Norrkoping, Sweden. [Prodanova, M.; Syrakov, D.] NIMH, Sofia 1784, Bulgaria. [Sorensen, J.] DMI, DK-2100 Copenhagen, Denmark. RP Galmarini, S (reprint author), Joint Res Ctr, JRC IES TAQU REM TP 441, I-21027 Ispra, VA, Italy. EM stefano.galmarini@jrc.it RI Kaufmann, Pirmin/C-4713-2012; Potempski, Slawomir/A-1401-2013 OI Kaufmann, Pirmin/0000-0002-0873-598X; Potempski, Slawomir/0000-0002-3877-5464 NR 40 TC 21 Z9 22 U1 0 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 EI 1873-2844 J9 ATMOS ENVIRON JI Atmos. Environ. PD OCT PY 2008 VL 42 IS 31 BP 7250 EP 7265 DI 10.1016/j.atmosenv.2008.07.027 PG 16 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 363KJ UT WOS:000260265900007 ER PT J AU Obrist, D Hallar, AG McCubbin, I Stephens, BB Rahn, T AF Obrist, Daniel Hallar, A. Gannet McCubbin, Ian Stephens, Britton B. Rahn, Thom TI Atmospheric mercury concentrations at Storm Peak Laboratory in the Rocky Mountains: Evidence for long-range transport from Asia, boundary layer contributions, and plant mercury uptake SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Asian long-range transport; Storm Peak Laboratory; High-elevation observation station; Atmospheric mercury ID TOTAL GASEOUS MERCURY; NORTH-AMERICA; ELEMENTAL MERCURY; AIR-POLLUTION; NEW-ENGLAND; WEST-COAST; HG-DEGREES; EXCHANGE; EMISSIONS; PACIFIC AB The goal of this study was to test if Asian long-range transport (ALRT) of pollutants leads to enhanced levels of atmospheric mercury in the Colorado Rocky Mountains in the United States. Storm Peak Laboratory, a high-elevation (3200 m asl) mountaintop research facility, is located on top of the Continental Divide ideally exposed to the prevailing westerly winds 1500 km inland from the Pacific where near-coastal stations previously measured significant atmospheric mercury enhancements due to ALRT. Measurements of gaseous elemental mercury (GEM) from October 2006 to May 2007 averaged 1.51 +/- 0.12 ng m(-3) at this laboratory, with minimum and maximum concentrations of 1.06 ng m(-3) and 2.15 ng m(-3), respectively. GEM showed diel patterns with peak concentrations during daytime and lowest concentrations during late night and early morning hours. In fall and winter, these patterns closely followed diel fluctuations of water vapor, aerosol number concentration, and ozone. The patterns are hence attributed to transitions of daytime boundary layer and nighttime air masses with regional representation as daytime surface heating causes air masses enhanced with air pollutants to rise from the valley floor to the laboratory. In spring, diel patterns of GEM and carbon monoxide (CO) occurred time-shifted in respect to water vapor, aerosol number, and ozone concentrations, indicating additional or different sources or sinks. A large GEM enhancement (2.15 ng m(-3)) Was observed in early April and was associated with a pressure increase of almost 10 hPa and a decrease in water vapor concentration. CO levels increased correspondingly (213 ppbv) resulting in a GEM/CO enhancement ratio of 0.0061 ng GEM m(-3)/ppbv CO, which is in the range of previously observed ALRT. These patterns, along with 10-day HYSPLIT air mass trajectories and increased levels of coarse aerosols (i.e., 3-4 mu m) typical of Asian dust events indicate the presence of Asian air masses at the laboratory. Further, springtime concentrations showed pronounced late-morning and afternoon decreases of GEM along with decreases of CO2 typical during the onset of photosynthetic activity of plants. We attribute GEM afternoon declines in spring to possible plant uptake of atmospheric mercury. We conclude that in spring, ALRT can be detected in the Rocky Mountains against local and regional patterns caused by slope flow and boundary layer upward mixing, and that plant activity may affect daytime GEM levels. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Obrist, Daniel; Hallar, A. Gannet; McCubbin, Ian] Desert Res Inst, Div Atmospher Sci, Reno, NV 89512 USA. [Hallar, A. Gannet; McCubbin, Ian] Storm Peak Lab, Steamboat Springs, CO USA. [Stephens, Britton B.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Rahn, Thom] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. RP Obrist, D (reprint author), Desert Res Inst, Div Atmospher Sci, 2215 Raggio Pkwy, Reno, NV 89512 USA. EM daniel.obrist@dri.edu RI Rahn, Thom/C-5211-2012; Hallar, Anna Gannet/I-9104-2012; Stephens, Britton/B-7962-2008; OI Hallar, Anna Gannet/0000-0001-9972-0056; Stephens, Britton/0000-0002-1966-6182; Rahn, Thomas/0000-0001-8634-1348 FU Lawrence Foundation; Desert Research Institute; State of Colorado Air Pollution Control Division; EPA STAR [RD833378010]; Steamboat Ski Resort; USFS Rangers of the Routt National Forest; National Science Foundation FX We thank Randy Borys, Melanie Wetzel, Doug Lowenthal, and Roger Schurmann for help with laboratory operations and data analysis. We also thank Dan Jaffe for information on data from Mt. Bachelor Observatory. The authors gratefully acknowledge the Western Regional Climate Center (WRCC) for meteorological data and the NOAA Air Resources Laboratory (ARL) for the provision of the HYSPLIT transport and dispersion model used in this publication. This study was supported by the Lawrence Foundation, the Desert Research Institute through Research Enhancement and Institute Project Assignment Programs, and by the State of Colorado Air Pollution Control Division. Support was also provided by EPA STAR grant #RD833378010, the Steamboat Ski Resort and the USFS Rangers of the Routt National Forest. The Desert Research Institute's Storm Peak Laboratory is a permittee of the Medicine-Bow Routt National Forests and an equal opportunity service provider and employer. The National Center for Atmospheric Research is sponsored by the National Science Foundation. NR 76 TC 56 Z9 57 U1 5 U2 45 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 EI 1873-2844 J9 ATMOS ENVIRON JI Atmos. Environ. PD OCT PY 2008 VL 42 IS 33 BP 7579 EP 7589 DI 10.1016/j.atmosenv.2008.06.051 PG 11 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 373XF UT WOS:000261006100002 ER PT J AU Senocak, I Henuartner, NW Short, MB Daniel, WB AF Senocak, Inanc Henuartner, Nicolas W. Short, Margaret B. Daniel, W. Brent TI Stochastic event reconstruction of atmospheric contaminant dispersion using Bayesian inference SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Bayesian statistics; Event reconstruction; Source characterization; Gaussian plume models; Markov chain Monte Carlo (MCMC) ID ALGORITHM AB Environmental sensors have been deployed in various cities for early detection of contaminant releases into the atmosphere. Event reconstruction and improved dispersion modeling capabilities are needed to estimate the extent of contamination, which is required to implement effective strategies in emergency management. To this end, a stochastic event reconstruction capability that can process information from an environmental sensor network is developed. A probability model is proposed to take into account both zero and non-zero concentration Measurements that can be available from a sensor network because of a sensor's specified limit of detection. The inference is based on the Bayesian paradigm with Markov chain Monte Carlo (MCMC) sampling. Fast-running Gaussian plume dispersion models are adopted as the forward model in the Bayesian inference approach to achieve rapid-response event reconstructions. The Gaussian plume model is substantially enhanced by introducing stochastic parameters in its turbulent diffusion parameterizations and estimating them within the Bayesian inference framework. Additionally, parameters of the likelihood function are estimated ill a principled way using data and prior probabilities to avoid toning in the overall method. The event reconstruction method is Successfully validated for both real and synthetic dispersion problems, and posterior distributions of the model parameters are used to generate probabilistic plume envelopes with specified confidence levels to aid emergency decisions. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Senocak, Inanc] Boise State Univ, Dept Mech & Biomed Engn, Boise, ID 83725 USA. [Henuartner, Nicolas W.; Daniel, W. Brent] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Short, Margaret B.] Univ Alaska, Dept Math & Stat, Fairbanks, AK 99701 USA. RP Senocak, I (reprint author), Boise State Univ, Dept Mech & Biomed Engn, Boise, ID 83725 USA. EM senocak@boisestate.edu OI Hengartner, Nicolas/0000-0002-4157-134X FU Los Alamos National Laboratory FX This work was supported by the LDRD funds of the Los Alamos National Laboratory. The authors wish to thank Michael Williams and Michael Brown for helpful discussions. NR 20 TC 39 Z9 44 U1 1 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 J9 ATMOS ENVIRON JI Atmos. Environ. PD OCT PY 2008 VL 42 IS 33 BP 7718 EP 7727 DI 10.1016/j.atmosenv.2008.05.024 PG 10 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 373XF UT WOS:000261006100016 ER PT J AU Tonse, SR Brown, NJ Harley, RA Jinc, L AF Tonse, Shaheen R. Brown, Nancy J. Harley, Robert A. Jinc, Ling TI A process-analysis based study of the ozone weekend effect SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Weekend effect; Process analysis; Ozone; CCOS ID MOTOR-VEHICLE EMISSIONS; ODD OXYGEN PRODUCTION; COAST AIR BASIN; CENTRAL CALIFORNIA; WEEKDAY; SENSITIVITY; MECHANISMS; POLLUTION C1 [Tonse, Shaheen R.; Brown, Nancy J.] Lawrence Berkeley Natl Lab, Dept Atmospher Sci, Berkeley, CA USA. [Harley, Robert A.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Jinc, Ling] Univ Calif Berkeley, Energy & Resources Grp, Berkeley, CA 94720 USA. RP Tonse, SR (reprint author), Lawrence Berkeley Natl Lab, Dept Atmospher Sci, Berkeley, CA USA. EM tonse2003@earthlink.net RI Harley, Robert/C-9177-2016 OI Harley, Robert/0000-0002-0559-1917 FU California Energy Commission; US Department of Energy; California Air Resources Board; UC Toxic Substances Research and Teaching Program; Assistant Secretary of Fossil Energy; Office of Natural Gas and Petroleum Technology through the National Petroleum Technology Office [DE-AC02-05CH11231] FX We wish to thank the California Energy Commission, the US Department of Energy and the California Air Resources Board for providing funding for this study. LJ was partially funded by a UC Toxic Substances Research and Teaching Program fellowship. The authors would also like to thank Dr James Wilczak and the Earth Systems Research Lab. group of NOAA for MM5 meteorological input, and Dr Allison Steiner of UC Berkeley (currently at University of Michigan) for the biogenic emissions. This research was supported by the Assistant Secretary of Fossil Energy, Office of Natural Gas and Petroleum Technology through the National Petroleum Technology Office under the US Department of Energy Contract No. DE-AC02-05CH11231. NR 24 TC 24 Z9 25 U1 0 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 J9 ATMOS ENVIRON JI Atmos. Environ. PD OCT PY 2008 VL 42 IS 33 BP 7728 EP 7736 DI 10.1016/j.atmosenv.2008.05.061 PG 9 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 373XF UT WOS:000261006100017 ER PT J AU Clarke, TA Holley, T Hartshorne, RS Fredrickson, JK Zachara, JM Shi, L Richardson, DJ AF Clarke, Thomas A. Holley, Tracey Hartshorne, Robert S. Fredrickson, Jim K. Zachara, John M. Shi, Liang Richardson, David J. TI The role of multihaem cytochromes in the respiration of nitrite in Escherichia coli and Fe(III) in Shewanella oneidensis SO BIOCHEMICAL SOCIETY TRANSACTIONS LA English DT Article; Proceedings Paper CT 3rd Intracellular Proteolysis Meeting CY MAR 05-07, 2008 CL Canary Isl, SPAIN SP Joint Biochem Soc, INPROTEOLYS Network DE Escherichia coli; MtrA; multihaem cytochrome; NrfA; NrfB; Shewanella oneidensis ID OUTER-MEMBRANE; PUTREFACIENS MR-1; ELECTRON-TRANSFER; REDUCTASE NRFA; REVEALS; OXIDE AB The periplasmic nitrite reductase system from Escherichia coli and the extracellular Fe(III) reductase system from Shewanella oneidensis contain multihaem c-type cytochromes as electron carriers and terminal reductases. The position and orientation of the haem cofactors in multihaem cytochromes from different bacteria often show significant conservation despite different arrangements of the polypeptide chain. We propose that the decahaem cytochromes of the iron reductase system MtrA, MtrC and OmcA comprise pentahaem 'modules' similar to the electron donor protein, NrfB, from E coli. To demonstrate this, we have isolated and characterized the N-terminal pentahaem module of MtrA by preparing a truncated form containing five covalently attached haems. UV-visible spectroscopy indicated that all five haems were low-spin, consistent with the presence of bis-His ligand co-ordination as found in full-length MtrA. C1 [Clarke, Thomas A.; Holley, Tracey; Hartshorne, Robert S.; Richardson, David J.] Univ E Anglia, Ctr Mol & Struct Biol, Sch Biol Sci, Norwich NR4 7TJ, Norfolk, England. [Fredrickson, Jim K.; Zachara, John M.; Shi, Liang] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Clarke, TA (reprint author), Univ E Anglia, Ctr Mol & Struct Biol, Sch Biol Sci, Norwich NR4 7TJ, Norfolk, England. EM tom.clarke@uea.ac.uk RI Richardson, David/E-2275-2011; clarke, tom/D-1837-2009 OI clarke, tom/0000-0002-6234-1914 NR 22 TC 16 Z9 16 U1 0 U2 13 PU PORTLAND PRESS LTD PI LONDON PA THIRD FLOOR, EAGLE HOUSE, 16 PROCTER STREET, LONDON WC1V 6 NX, ENGLAND SN 0300-5127 J9 BIOCHEM SOC T JI Biochem. Soc. Trans. PD OCT PY 2008 VL 36 BP 1005 EP 1010 DI 10.1042/BST0361005 PN 5 PG 6 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 360RW UT WOS:000260076300044 PM 18793179 ER PT J AU Sengupta, D Smith, JC Ullmann, GM AF Sengupta, Durba Smith, Jeremy C. Ullmann, G. Matthias TI Partitioning of amino-acid analogues in a five-slab membrane model SO BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES LA English DT Article DE Amino-acid positional preference; Membrane partitioning; Snorkeling; Five-slab membrane model; Poisson-Boltzmann electrostatics ID SOLVATION FREE-ENERGIES; MOLECULAR-DYNAMICS SIMULATIONS; LIPID-BILAYERS; SIDE-CHAINS; TRANSMEMBRANE HELICES; WATER INTERFACE; HYDROPHOBIC MISMATCH; PROTEIN STRUCTURES; PEPTIDES; ORIENTATION AB The positional preferences of the twenty amino-acid residues in a phospholipid bilayer are investigated by calculating the solvation free energy of the corresponding side chain analogues using a five-slab continuum electrostatic model. The side-chain analogues of the aromatic residues tryptophan and tyrosine are found to partition in the head-group region, due to compensation between the increase of the non-polar component of the solvation free energy at the boundary with the aqueous region and the decrease in the electrostatic component. The side chain analogue of phenylalanine differs from the other aromatic molecules by being able to partition in both the head-group region and the membrane core. This finding is consistent with experimental findings of the position of phenylalanine in membrane helices. Interestingly, the charged side-chain analogues of arginine and lysine are shown to prefer the head-group region in an Orientation that allows the charged moiety to interact with the aqueous layer. The orientation adopted is similar to the "snorkelling" effect seen in lysine and arginine residues in membrane helices. In contrast, the preference of the charged side-chain analogues of histidine (protonated) and aspartate (deprotonated) for the aqueous layer is shown to be due to a steep decrease in the electrostatic component of the solvation free energy at the boundary to the aqueous region. The calculations allow an understanding of the origins of side chain positioning in membranes and are thus useful in understanding membrane-protein:lipid thermodynamics. (c) 2008 Elsevier B.V. All rights reserved. C1 [Ullmann, G. Matthias] Univ Bayreuth, D-95447 Bayreuth, Germany. [Smith, Jeremy C.] Oak Ridge Natl Lab, Ctr Biophys Mol, UT, Oak Ridge, TN 37831 USA. [Sengupta, Durba; Smith, Jeremy C.] Univ Heidelberg, IWR Computat Mol Biophys, D-69120 Heidelberg, Germany. RP Ullmann, GM (reprint author), Univ Bayreuth, Univ Str 30 BGI, D-95447 Bayreuth, Germany. EM Matthias.Ullmann@uni-bayreuth.de RI smith, jeremy/B-7287-2012; Ullmann, Matthias/H-1361-2014; OI smith, jeremy/0000-0002-2978-3227; Ullmann, Matthias/0000-0002-6350-798X; Sengupta, Durba/0000-0002-3138-1024 NR 61 TC 14 Z9 14 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0005-2736 J9 BBA-BIOMEMBRANES JI Biochim. Biophys. Acta-Biomembr. PD OCT PY 2008 VL 1778 IS 10 BP 2234 EP 2243 DI 10.1016/j.bbamem.2008.06.014 PG 10 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 362KV UT WOS:000260197500028 PM 18640092 ER PT J AU Kretlow, A Wang, Q Beekes, M Naumann, D Miller, LM AF Kretlow, Ariane Wang, Qi Beekes, Michael Naumann, Dieter Miller, Lisa M. TI Changes in protein structure and distribution observed at pre-clinical stages of scrapie pathogenesis SO BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR BASIS OF DISEASE LA English DT Article DE Prion; Scrapie; Dorsal root ganglia; Protein structure; Protein-folding; Infrared microspectroscopy ID TRANSMISSIBLE SPONGIFORM ENCEPHALOPATHIES; FT-IR SPECTROSCOPY; PRION PROTEIN; INFRARED-SPECTROSCOPY; INFECTED-CELLS; BRAIN-TISSUE; BETA-SHEET; PRP; IDENTIFICATION; SPREAD AB Scrapie is a neurodegenerative disorder that involves the misfolding, aggregation and accumulation of the prion protein (PrP). The normal cellular PrP (PrPc) is rich in alpha-helical secondary structure, whereas the disease-associated pathogenic form of the protein (PrPSc) has an anomalously high beta-sheet content. in this study, protein structural changes were examined in situ in the dorsal root ganglia from perorally 263K scrapie-infected and mock-infected hamsters using synchrotron Fourier Transform InfraRed Microspectroscopy (FTIRM) at four time points over the course of the disease (pre-clinical, 100 and 130 days post-infection (dpi); first clinical signs (similar to 145 dpi); and terminal (similar to 170 dpi)). Results showed clear changes in the total protein content, structure, and distribution as the disease progressed. At pre-clinical time points, the scrapie-infected animals exhibited a significant increase in protein expression, but the beta-sheet protein content was significantly lower than controls. Based on these findings, we suggest that the pre-clinical stages of scrapie are characterized by an overexpression of proteins low in beta-sheet content. As the disease progressed, the 1 sheet content increased significantly. Immunostaining with a PrP-specific antibody, 3F4, confirmed that this increase was partly - but not solely - due to the formation of PrPSc in the tissue and indicated that other proteins high in beta-sheet were produced, either by overexpression or misfolding. Elevated beta-sheet was observed near the cell membrane at pre-clinical time points and also in the cytoplasm of infected neurons at later stages of infection. At the terminal stage of the disease, the protein expression declined significantly, likely due to degeneration and death of neurons. These dramatic changes in protein content and structure, especially at pre-clinical time points, emphasize the possibility for identifying other proteins involved in early pathogenesis, which are important for a further understanding of the disease. (C) 2008 Elsevier B.V. All rights reserved. C1 [Kretlow, Ariane; Wang, Qi; Miller, Lisa M.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Kretlow, Ariane; Beekes, Michael; Naumann, Dieter] Robert Koch Inst, D-13353 Berlin, Germany. RP Miller, LM (reprint author), Brookhaven Natl Lab, Bldg 725D,75 Brookhaven Ave, Upton, NY 11973 USA. EM lmiller@bnl.gov RI Wang, Qi/C-5478-2012; OI Beekes, Michael/0000-0002-6454-6657 FU EU; National Institutes of Health [R01-GM66873]; U.S. Department of Energy; Office of Science; Office of Basic Energy Sciences [DE-AC02-98CH10886] FX The authors like to thank Marion Joncic and Kristin Kampf (Robert Koch-institute) for skillful technical assistance with the animal experiments. We are also grateful to the technical and safety staff at the NSLS, especially to Randy Smith, Larry Carr, and Andrew Ackerman. M. B. is grateful for ongoing support by the EU-funded Network of Excellence "NeuroPrion". This work was funded by the National Institutes of Health Grant R01-GM66873. The National Synchrotron Light Source is funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 41 TC 14 Z9 14 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0925-4439 J9 BBA-MOL BASIS DIS JI Biochim. Biophys. Acta-Mol. Basis Dis. PD OCT PY 2008 VL 1782 IS 10 BP 559 EP 565 DI 10.1016/j.bbadis.2008.06.004 PG 7 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 363ML UT WOS:000260271300002 PM 18625306 ER PT J AU Endres, PJ MacRenaris, KW Vogt, S Meade, TJ AF Endres, Paul J. MacRenaris, Keith W. Vogt, Stefan Meade, Thomas J. TI Cell-Permeable MR Contrast Agents with Increased Intracellular Retention SO BIOCONJUGATE CHEMISTRY LA English DT Article ID X-RAY-FLUORESCENCE; GD(III) COMPLEXES; NMR; GLUTATHIONE; VISUALIZATION; LUMINESCENCE; LIPOSOMES; MECHANISMS; EXPRESSION; EUROPIUM AB Magnetic resonance imaging (MRI) is a technique used in both clinical and experimental settings to produce hi.-h-resolution images of opaque organisms without ionizing radiation. Currently, MR imaging is augmented by contrast agents, and the vast majority these small molecule Gd(III) chelates are confined to the extracellular regions. As a result, contrast agents are confined to vascular regions reducing their ability to provide information about cell physiology or molecular pathology. We have shown that polypeptides of arginine have the capacity to transport Gd(III) contrast agents across cell membranes. However, this transport is not unidirectional, and once inside the cell, the arginine-modified contrast agents efflux rapidly, decreasing the intracellular Gd(III) concentration and corresponding MR image intensity. By exploiting the inherent disulfide reducing environment of cells, thiol compounds. Gd(III)-DOTA-SS-Arg(8) and Gd(III)-DTPA-SS-Arg(8), are cleaved from their cell-penetrating peptide transduction domains upon cell internalization. This reaction prolongs the cell-associated lifetime of the chelated Gd(III) by cleaving it from the cell transduction domain. C1 [MacRenaris, Keith W.; Meade, Thomas J.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. Northwestern Univ, Dept Biochem, Evanston, IL 60208 USA. Northwestern Univ, Dept Mol & Cell Biol, Evanston, IL 60208 USA. Northwestern Univ, Dept Neurobiol & Physiol, Evanston, IL 60208 USA. Northwestern Univ, Dept Radiol, Evanston, IL 60208 USA. [Vogt, Stefan] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Meade, TJ (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM tmeade@northwestern.edu RI Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013 OI Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513 FU National Institutes of Health [1 R01 EB005866-01]; Nanomaterials for Cancer Diagnostics and Therapeutics [5 U54 CA1193 41-02]; Center for Excellence in Transitional Human Stem Cell Research [1 P50 NS0542 78-01]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [W-31-109-ENG-38] FX We thank Prof. Matthew J. Allen for helpful discussions. This research was supported by the National Institutes of Health under Grant Number 1 R01 EB005866-01, the Nanomaterials for Cancer Diagnostics and Therapeutics under 5 U54 CA1193 41-02, and the Center for Excellence in Transitional Human Stem Cell Research under 1 P50 NS0542 78-01. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract Number W-31-109-ENG-38. MR images were acquired on a 14.1 T-WB imaging spectrometer operated by the CBMRR under NIH/NCRR Grant Number 1 S10 RR13880-01. NR 50 TC 35 Z9 36 U1 1 U2 18 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1043-1802 J9 BIOCONJUGATE CHEM JI Bioconjugate Chem. PD OCT PY 2008 VL 19 IS 10 BP 2049 EP 2059 DI 10.1021/bc8002919 PG 11 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Chemistry, Multidisciplinary; Chemistry, Organic SC Biochemistry & Molecular Biology; Chemistry GA 361DT UT WOS:000260108400014 PM 18803414 ER PT J AU Waldron, JL Welch, SM Bennett, SH AF Waldron, Jayme L. Welch, Shane M. Bennett, Stephen H. TI Vegetation structure and the habitat specificity of a declining North American reptile: A remnant of former landscapes SO BIOLOGICAL CONSERVATION LA English DT Article DE Radiotelemetry; Logistic regression; Historical ecology; Pine savanna; Crotalus; Coastal Plain; Remnant; Surrogate ID SOUTHEASTERN UNITED-STATES; COASTAL-PLAIN; FIRE; HISTORY; CONSEQUENCES; ECOSYSTEMS; ECOLOGY AB Although all species provide some spatial information about past environments, remnant populations of habitat specialists can serve as biological legacies and natural archives of historical landscapes. The endangered longleaf pine ecosystem is home to an array of imperiled fauna that specialize on the habitat. Often referred to as pine savanna, the ecosystem was characterized by longleaf pine (Pinus palustris), but included an array of open-canopy habitats within a grassland matrix dominated by a variety of tree species. In this study, we used a coarse scale of description to quantify habitat associations of a declining reptile, the eastern diamondback rattlesnake (Crotalus adamanteus), historically associated with pine savannas of the southeastern United States. We made cross-scale habitat comparisons and controlled for land use and geographic variability. Habitat models of within home range and microhabitat selection indicated that the species was associated with an open-canopy savanna community structure. We identified the eastern diamondback rattlesnake as a remnant of the historical southeastern savanna, which is important for species conservation and broader management of the southeastern savanna community. Given their longevity and habitat specificity, remnant eastern diamondback rattlesnake populations are biological legacies of the southeastern savanna community and act as a surrogate for the prioritization of land conservation. Thus, the species' presence provides spatial information that can be used by conservationists to identify habitats that have high restoration potential, and also increases the probability that other species associated with pine savanna occur locally. (c) 2008 Elsevier Ltd. All rights reserved. C1 [Waldron, Jayme L.] Clemson Univ, Dept Forestry & Nat Resources, Clemson, SC 29634 USA. [Welch, Shane M.] Univ S Carolina, Dept Biol Sci, Columbia, SC 29802 USA. [Bennett, Stephen H.] S Carolina Dept Nat Resources, Columbia, SC 29201 USA. RP Waldron, JL (reprint author), Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. EM ditmadden@hotmail.com; shanemwelch@gmail.com; bennetts@dnr.sc.gov FU South Carolina Department of Natural Resources (SCDNR); The Riverbanks Zoo; The Gopher Tortoise Council; Environmental Remediation Sciences Division of the office of Biological and Environmental Research, US Department of Energy [DE-FC09-96SR18546]; [20032]; [50062] FX We thank W, Kalinowsky, J. Ledvina, and A. Schneider for radiotelemetry and field assistance. We thank the numerous volunteers who assisted with visual surveys for study animals. Funding was provided by the South Carolina Department of Natural Resources (SCDNR), The Riverbanks Zoo, and The Gopher Tortoise Council. We thank J.D. Lanham for logistical support during data collection. Furthermore, the authors thank the SCDNR staff for use of facilities and hospitality at the study area; specifically, we thank T. Swayngham, D. Thomas, S. Thomas, L. Walters, and K. Jarrell. Terry Norton and The Wildlife Conservation Society at St. Catherine's Island, GA, assisted by performing transmitter implant and removal surgeries and by providing equipment, space, and supplies for surgeries. Manuscript preparation was aided by Financial Assistance Award No. DE-FC09-96SR18546 to the University of Georgia Research Foundation from the Environmental Remediation Sciences Division of the office of Biological and Environmental Research, US Department of Energy. All handling and surgeries were conducted under Clemson University Animal Use Protocols (#20032 and #50062). Joe Ledvina, S. Lauerman, and K. Andrews provided comments that greatly improved the manuscript. NR 43 TC 18 Z9 18 U1 4 U2 34 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0006-3207 J9 BIOL CONSERV JI Biol. Conserv. PD OCT PY 2008 VL 141 IS 10 BP 2477 EP 2482 DI 10.1016/j.biocon.2008.07.008 PG 6 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 367QW UT WOS:000260568300005 ER PT J AU Weng, HX Hong, CL Yan, AL Pan, LH Qin, YC Bao, LT Xie, LL AF Weng, Huan-Xin Hong, Chun-Lai Yan, Ai-Lan Pan, Le-Hua Qin, Ya-Chao Bao, Lue-Ting Xie, Ling-Li TI Mechanism of iodine uptake by cabbage: Effects of iodine species and where it is stored SO BIOLOGICAL TRACE ELEMENT RESEARCH LA English DT Article DE uptake mechanism; iodine species; iodine distribution; Chinese cabbage ID DEFICIENCY DISORDERS; SOIL AB Iodine-enhanced vegetable has been proven to be an effective way to reduce iodine deficiency disorders in many regions. However, the knowledge about what mechanisms control plant uptake of iodine and where iodine is stored in plants is still very limited. A series of controlled experiments, including solution culture, pot planting, and field experiments were carried out to investigate the uptake mechanism of iodine in different forms. A new methodology for observing the iodine distribution within the plant tissues, based on AgI precipitation reaction and transmission electron microscope techniques, has been developed and successfully applied to Chinese cabbage. Results show that iodine uptake by Chinese cabbage was more effective when iodine was in the form of IO3- than in the form of I- if the concentration was low (< 0.5 mg L-1), but the trend was opposite if iodine concentration was 0.5 mg L-1 or higher. The uptake was more sensitive to metabolism inhibitor in lower concentration of iodine, which implies that the uptake mechanism transits from active to passive as the iodine concentration increases, especially when the iodine is in the form of IO3-. The inorganic iodine fertilizer provided a quicker supply for plant uptake, but the higher level of iodine was toxic to plant growth. The organic iodine fertilizer (seaweed composite) provided a more sustainable iodine supply for plants. Most of the iodine uptake by the cabbage is intercepted and stored in the fibrins in the root while the iodine that is transported to the above-ground portion ( shoots and leaves) is selectively stored in the chloroplasts. C1 [Weng, Huan-Xin; Hong, Chun-Lai; Yan, Ai-Lan; Qin, Ya-Chao; Bao, Lue-Ting; Xie, Ling-Li] Zhejiang Univ, Inst Environm & Biogeochem, Dept Earth Sci, Hangzhou 310027, Peoples R China. [Pan, Le-Hua] Ernest Orlando Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Weng, HX (reprint author), Zhejiang Univ, Inst Environm & Biogeochem, Dept Earth Sci, 38 Zheda Rd, Hangzhou 310027, Peoples R China. EM gswenghx@zju.edu.cn; Lpan@lbl.gov RI Pan, Lehua/G-2439-2015 FU National Natural Science Foundation of China [40373043] FX This work was supported by the National Natural Science Foundation of China (Grant no. 40373043). Thanks are due to Qinshi Pan for her editing review. NR 30 TC 14 Z9 16 U1 2 U2 23 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA SN 0163-4984 J9 BIOL TRACE ELEM RES JI Biol. Trace Elem. Res. PD OCT PY 2008 VL 125 IS 1 BP 59 EP 71 DI 10.1007/s12011-008-8155-2 PG 13 WC Biochemistry & Molecular Biology; Endocrinology & Metabolism SC Biochemistry & Molecular Biology; Endocrinology & Metabolism GA 353HK UT WOS:000259556700007 PM 18521548 ER PT J AU Boyce, BL Grazier, JM Jones, RE Nguyen, TD AF Boyce, Brad L. Grazier, J. Mark Jones, Reese E. Nguyen, Thao D. TI Full-field deformation of bovine cornea under constrained inflation conditions SO BIOMATERIALS LA English DT Article DE cornea; elasticity; viscoelasticity; creep ID BIOMECHANICAL PROPERTIES; INTRAOCULAR-PRESSURE; REFRACTIVE SURGERY; PORCINE CORNEA; ELASTICITY; BEHAVIOR; MODULUS; STRAIN AB The viscoelastic response of bovine corneas was characterized using in vitro inflation (bulge) experiments combined with spatially-resolved deformation mapping via digital image correlation. A complex fixture conforming to the limbal annulus was developed to hold the attached sclera rigid while allowing deformation only in the cornea. A statistical set of experiments was performed for a pressure range of 3.6-8 kPa (27-60 mmHg), representing nominal bovine intraocular pressure (IOP) to acute glaucoma conditions. A broader pressure range of 0-32 kPa (0-240 mmHg) was also examined to characterize the nonlinear finite deformation behavior of the tissue. Results showed that for pressures near and above IOP, the majority of the deformation was localized in the limbus and peripheral regions, which left the central cornea largely undeformed. This observation was consistent with the known preferred circumferential alignment of collagen fibrils outside of the central cornea. In general, the inflation experiments observed viscoelastic behavior in the form of rate-dependent hysteresis in the pressure-deformation response of the apex of the cornea, creep in the apex deformation at a constant inflation pressure, and relaxation in the pressure response at a constant inflation volume. The 3.6-8 kPa (27-60 mmHg) pressure range produced small viscoelastic deformations and a nearly linear pressure-deformation response, which suggests that for physiological pressure ranges, the cornea can be approximated as a linear viscoelastic or linear pseudo-elastic material. (c) Published by Elsevier Ltd. C1 [Boyce, Brad L.; Grazier, J. Mark] Sandia Natl Labs, Ctr Mat Sci & Engn, Albuquerque, NM 87185 USA. [Jones, Reese E.] Sandia Natl Labs, Dept Mat & Mech, Mech Mat Dept, Livermore, CA 94551 USA. [Nguyen, Thao D.] Johns Hopkins Univ, Dept Mech Engn, Baltimore, MD 21218 USA. RP Boyce, BL (reprint author), Sandia Natl Labs, Ctr Mat Sci & Engn, POB 5800,MS 0889, Albuquerque, NM 87185 USA. EM blboyce@sandia.gov RI Nguyen, Thao/A-3391-2010; Boyce, Brad/H-5045-2012 OI Nguyen, Thao/0000-0002-0312-1583; Boyce, Brad/0000-0001-5994-1743 FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank Dr. Richard Regueiro (CU-Boulder), Dr. Bob Chambers (SNL), Dr. Stephen D. McLeod (Department of Ophthalmology, UCSF), and Dr. Christine Wildsoet (Department of Vision Science, UCB) for helpful discussions regarding this project. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 29 TC 79 Z9 79 U1 1 U2 22 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0142-9612 J9 BIOMATERIALS JI Biomaterials PD OCT PY 2008 VL 29 IS 28 BP 3896 EP 3904 DI 10.1016/j.biomaterials.2008.06.011 PG 9 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 345SN UT WOS:000259017000017 PM 18603294 ER PT J AU Sabounchi, P Morales, AM Ponce, P Lee, LP Simmons, BA Davalos, RV AF Sabounchi, Poorya Morales, Alfredo M. Ponce, Pierre Lee, Luke P. Simmons, Blake A. Davalos, Rafael V. TI Sample concentration and impedance detection on a microfluidic polymer chip SO BIOMEDICAL MICRODEVICES LA English DT Article DE dielectrophoresis; insulator-based dielectrophoresis; biochip; sample enrichment; pathogen monitoring; BioMEMS ID VIABLE SALMONELLA-TYPHIMURIUM; AC FREQUENCY-CHARACTERISTICS; EFFECTIVE CONDUCTIVITY; BACTERIAL METABOLISM; SELECTIVE DETECTION; DESIGN PARAMETERS; BIOLOGICAL CELLS; DIELECTROPHORESIS; PARTICLES; SEPARATION AB We present an on-chip microfluidic sample concentrator and detection triggering system for microparticles based on a combination of insulator-based dielectrophoresis (iDEP) and electrical impedance measurement. This platform operates by first using iDEP to selectively concentrate microparticles of interest based on their electrical and physiological characteristics in a primary fluidic channel; the concentrated microparticles are then directed into a side channel configured for particle detection using electrical impedance measurements with embedded electrodes. This is the first study showing iDEP concentration with subsequent sample diversion down an analysis channel and is the first to demonstrate iDEP in the presence of pressure driven flow. Experimental results demonstrating the capabilities of this platform were obtained using polystyrene microspheres and Bacillus subtilis spores. The feasibility of selective iDEP trapping and impedance detection of these particles was demonstrated. The system is intended for use as a front-end unit that can be easily paired with multiple biodetection/bioidentification systems. This platform is envisioned to act as a decision-making component to determine if confirmatory downstream identification assays are required. Without a front end component that triggers downstream analysis only when necessary, bio-identification systems (based on current analytical technologies such as PCR and immunoassays) may incur prohibitively high costs to operate due to continuous consumption of expensive reagents. C1 [Sabounchi, Poorya; Ponce, Pierre; Simmons, Blake A.] Sandia Natl Labs, Energy Syst Dept, Livermore, CA USA. [Sabounchi, Poorya; Lee, Luke P.] Univ Calif Berkeley, Berkeley Sensor & Actuator Ctr, Dept Bioengn, Berkeley, CA 94720 USA. [Morales, Alfredo M.] Sandia Natl Labs, Dept Chem Mat, Livermore, CA USA. [Davalos, Rafael V.] Virginia Tech Wake Forest Univ, Sch Biomed Engn & Sci, Blacksburg, VA USA. RP Simmons, BA (reprint author), Sandia Natl Labs, Energy Syst Dept, Livermore, CA USA. EM basimmo@sandia.gov; davalos@vt.edu RI Davalos, Rafael/F-9012-2011; Sano, Michael/E-1715-2011; OI Simmons, Blake/0000-0002-1332-1810 FU US Department of Energy's National Nuclear Safety Administration [DEAC04-94AL85000] FX The authors thank J. Van de Vreugde, A. Salmi, K. L. Krafcik, J. L. Caldwell, J. Hachman, B. Crocker, J. Brazzle, S. Ferko, Y. Syed, and J. Rognlien for their contributions to this project. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the US Department of Energy's National Nuclear Safety Administration under contract DEAC04-94AL85000. NR 53 TC 43 Z9 46 U1 4 U2 36 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1387-2176 J9 BIOMED MICRODEVICES JI Biomed. Microdevices PD OCT PY 2008 VL 10 IS 5 BP 661 EP 670 DI 10.1007/s10544-008-9177-4 PG 10 WC Engineering, Biomedical; Nanoscience & Nanotechnology SC Engineering; Science & Technology - Other Topics GA 339MM UT WOS:000258581700007 PM 18484178 ER PT J AU Koppisch, AT Dhungana, S Hill, KK Boukhalfa, H Heine, HS Colip, LA Romero, RB Shou, YL Ticknor, LO Marrone, BL Hersman, LE Iyer, S Ruggiero, CE AF Koppisch, Andrew T. Dhungana, Suraj Hill, Karen K. Boukhalfa, Hakim Heine, Henry S. Colip, Leslie A. Romero, Raymond B. Shou, Yulin Ticknor, Lawrence O. Marrone, Babetta L. Hersman, Larry E. Iyer, Srinivas Ruggiero, Christy E. TI Petrobactin is produced by both pathogenic and non-pathogenic isolates of the Bacillus cereus group of bacteria SO BIOMETALS LA English DT Article DE siderophores; iron; Bacillus cereus; Bacillus anthracis; Bacillus thuringiensis ID SIDEROPHORE BIOSYNTHESIS; MYCOBACTERIUM-TUBERCULOSIS; ANTHRACIS; THURINGIENSIS; VIRULENCE; IDENTIFICATION; MACROPHAGES; TRANSPORT; SEQUENCE; PATHWAY AB Petrobactin is the primary siderophore synthesized by Bacillus anthracis str Sterne and is required for virulence of this organism in a mouse model. The siderophore's biosynthetic machinery was recently defined and gene homologues of this operon exist in several other Bacillus strains known to be mammalian pathogens, but are absent in several known to be harmless such as B. subtilis and B. lichenformis. Thus, a common hypothesis regarding siderophore production in Bacillus species is that petrobactin production is exclusive to pathogenic isolates. In order to test this hypothesis, siderophores produced by 106 strains of an in-house library of the Bacillus cereus sensu lato group were isolated and identified using a MALDI-TOF-MS assay. Strains were selected from a previously defined phylogenetic tree of this group in order to include both known pathogens and innocuous strains. Petrobactin is produced by pathogenic strains and innocuous isolates alike, and thus is not itself indicative of virulence. C1 [Koppisch, Andrew T.] No Arizona Univ, Dept Biol, Flagstaff, AZ 86004 USA. [Koppisch, Andrew T.; Dhungana, Suraj; Hill, Karen K.; Colip, Leslie A.; Romero, Raymond B.; Shou, Yulin; Marrone, Babetta L.; Hersman, Larry E.; Iyer, Srinivas] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Boukhalfa, Hakim; Ruggiero, Christy E.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Heine, Henry S.] USA, Med Res Inst Infect Dis, Div Bacteriol, Ft Detrick, MD 21702 USA. [Ticknor, Lawrence O.] Los Alamos Natl Lab, Decis Applicat Div, Los Alamos, NM 87545 USA. RP Koppisch, AT (reprint author), No Arizona Univ, Dept Biol, 500 S Beaver St, Flagstaff, AZ 86004 USA. EM koppisch@lanl.gov OI Ticknor, Lawrence/0000-0002-7967-7908 FU NSF-REU; Laboratory Directed Research; Development exploratory research; University of California [W-7405-ENG-36] FX R.B.R. is supported by the NSF-REU Bioscience and Biotechnology PUSH program for northern New Mexico. We thank Drs. David Fox and Cindy Browder for helpful discussions. This work was supported by a Laboratory Directed Research and Development exploratory research grant. Los Alamos National Laboratory is operated by the University of California for the U. S. Department of Energy under contract W-7405-ENG-36. NR 32 TC 22 Z9 23 U1 0 U2 7 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0966-0844 J9 BIOMETALS JI Biometals PD OCT PY 2008 VL 21 IS 5 BP 581 EP 589 DI 10.1007/s10534-008-9144-9 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 344AH UT WOS:000258897100008 PM 18459058 ER PT J AU Miller, CE Busath, DD Strongin, B Majewski, J AF Miller, C. E. Busath, D. D. Strongin, B. Majewski, J. TI Integration of ganglioside GT(1b) receptor into DPPE and DPPC phospholipid monolayers: An x-ray reflectivity and grazing-incidence diffraction study SO BIOPHYSICAL JOURNAL LA English DT Article ID LEAST-SQUARES METHODS; NATURAL-KILLER-CELLS; AIR-WATER-INTERFACE; LIPID MONOLAYERS; BOTULINUM NEUROTOXINS; BRAIN GANGLIOSIDES; MOLECULAR PACKING; LIQUID INTERFACE; INFLUENZA-VIRUS; CHAIN TILT AB Using synchrotron grazing-incidence x-ray diffraction (GIXD) and reflectivity, the in-plane and out-of-plane structures of mixed-ganglioside GT(1b)-phospholipid monolayers were investigated at the air-liquid interface and compared with monolayers of the pure components. The receptor GT(1b) is involved in the binding of lectins and toxins, including botulinum neurotoxin, to cell membranes. Monolayers composed of 20 mol% ganglioside GT(1b), the phospholipid dipalmitoyl phosphatidylethanolamine ( DPPE), and the phospholipid dipalmitoyl phosphatidylcholine ( DPPC) were studied in the gel phase at 23 degrees C and at surface pressures of 20 and 40 mN/m, and at pH 7.4 and 5. Under these conditions, the two components did not phase-separate, and no evidence of domain formation was observed. The x-ray scattering measurements revealed that GT(1b) was intercalated within the host DPPE/DPPC monolayers, and slightly expanded DPPE but condensed the DPPC matrix. The oligosaccharide headgroups extended normally from the monolayer surfaces into the subphase. This study demonstrated that these monolayers can serve as platforms for investigating toxin membrane binding and penetration. C1 [Miller, C. E.; Majewski, J.] Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. [Busath, D. D.; Strongin, B.] Brigham Young Univ, Dept Physiol & Dev Biol, Provo, UT USA. RP Majewski, J (reprint author), Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. EM jarek@lanl.gov RI Lujan Center, LANL/G-4896-2012 FU United States Department of Energy [W-7405-ENG-36]; Department of Energy's Office of Science (Basic Energy Sciences); LANL Director's Post-Doctoral Fellowship; Institute for Complex Adaptive Matter FX The Los Alamos Neutron Science Center at the Los Alamos National Laboratory is funded by the United States Department of Energy under contract W-7405-ENG-36. J.M and C.E.M. thank the LANL-Laboratory Directed Research and Development program of the Department of Energy's Office of Science (Basic Energy Sciences) for financial support. C.E.M. acknowledges support from the LANL Director's Post-Doctoral Fellowship and the Institute for Complex Adaptive Matter. NR 65 TC 11 Z9 11 U1 0 U2 11 PU BIOPHYSICAL SOC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD OCT 1 PY 2008 VL 95 IS 7 BP 3278 EP 3286 DI 10.1529/biophysj.107.128538 PG 9 WC Biophysics SC Biophysics GA 350ZQ UT WOS:000259393200020 PM 18599631 ER PT J AU Zheng, JW Lukeman, PS Sherman, WB Micheel, C Alivisatos, AP Constantinou, PE Seeman, NC AF Zheng, Jiwen Lukeman, Philip S. Sherman, William B. Micheel, Christine Alivisatos, A. Paul Constantinou, Pamela E. Seeman, Nadrian C. TI Metallic nanoparticles used to estimate the structural integrity of DNA motifs SO BIOPHYSICAL JOURNAL LA English DT Article ID DOUBLE-CROSSOVER MOLECULES; ATOMIC-FORCE MICROSCOPY; BRANCHED JUNCTIONS; ARRAYS; CONSTRUCTION; LIGATION; FLEXIBILITY; TRIANGLES; CRYSTALS; COHESION AB Branched DNA motifs can be designed to assume a variety of shapes and structures. These structures can be characterized by numerous solution techniques; the structures also can be inferred from atomic force microscopy of two-dimensional periodic arrays that the motifs form via cohesive interactions. Examples of these motifs are the DNA parallelogram, the bulged-junction DNA triangle, and the three-dimensional-double crossover (3D-DX) DNA triangle. The ability of these motifs to withstand stresses without changing geometrical structure is clearly of interest if the motif is to be used in nanomechanical devices or to organize other large chemical species. Metallic nanoparticles can be attached to DNA motifs, and the arrangement of these particles can be established by transmission electron microscopy. We have attached 5 nm or 10 nm gold nanoparticles to every vertex of DNA parallelograms, to two or three vertices of 3D-DX DNA triangle motifs, and to every vertex of bulged-junction DNA triangles. We demonstrate by transmission electron microscopy that the DNA parallelogram motif and the bulged-junction DNA triangle are deformed by the presence of the gold nanoparticles, whereas the structure of the 3D-DX DNA triangle motif appears to be minimally distorted. This method provides a way to estimate the robustness and potential utility of the many new DNA motifs that are becoming available. C1 [Zheng, Jiwen; Constantinou, Pamela E.; Seeman, Nadrian C.] NYU, Dept Chem, New York, NY 10003 USA. [Lukeman, Philip S.] Calif State Polytech Univ Pomona, Dept Chem, Pomona, CA 91768 USA. [Sherman, William B.] Brookhaven Natl Lab, Ctr Funct Nanomat, Long Isl City, NY 11973 USA. [Micheel, Christine; Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Seeman, NC (reprint author), NYU, Dept Chem, 100 Washington Sq E, New York, NY 10003 USA. EM ned.seeman@nyu.edu RI Sherman, William/B-4700-2008; OI Micheel, Christine/0000-0002-7744-9039 FU National Institute of General Medical Sciences [GM-29554]; National Science Foundation [DMI-0210844, EIA-0086015, CCF-0523290, CCF-0726378, CTS-0548774, CTS-0608889]; Army Research Office [48681-EL, MURI W911NF-07-1-0439]; Department of Energy (DOE) [DE-FG02-06ER64281]; W. M. Keck Foundation; Materials Science Division of DOE [DE-AC02-05CH11231]; University of Southern California [F49620-01-1-0474, 066995]; DOE Office of Science and Office of Basic Energy Sciences [DE-AC02-98CH10866] FX This research was supported by grants to N. C. S.: GM-29554 from National Institute of General Medical Sciences, grants DMI-0210844, EIA-0086015, CCF-0523290, CCF-0726378, and CTS-0548774, CTS-0608889 from the National Science Foundation, 48681-EL and MURI W911NF-07-1-0439 from Army Research Office, DE-FG02-06ER64281 from the Department of Energy ( DOE) (subcontract from the Research Foundation of State University of New York), a grant from the W. M. Keck Foundation to N. C. S. and contract No. DE-AC02-05CH11231 from the Materials Science Division of DOE and Defense Advanced Research Projects Agency/Air Force Office of Scientific Research Defense University Research Initiative on Nanotechnology program grant No. F49620-01-1-0474 under subcontract No. 066995 through the University of Southern California to A. P. A. W. B. S. was supported by the DOE Office of Science and Office of Basic Energy Sciences under contract No. DE-AC02-98CH10866. NR 33 TC 11 Z9 11 U1 2 U2 14 PU BIOPHYSICAL SOC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD OCT 1 PY 2008 VL 95 IS 7 BP 3340 EP 3348 DI 10.1529/biophysj.108.138479 PG 9 WC Biophysics SC Biophysics GA 350ZQ UT WOS:000259393200026 PM 18621817 ER PT J AU Ye, XP Liu, L Hayes, D Womac, A Hong, KL Sokhansanj, S AF Ye, X. Philip Liu, Lu Hayes, Douglas Womac, Alvin Hong, Kunlun Sokhansanj, Shahab TI Fast classification and compositional analysis of cornstover fractions using Fourier transform near-infrared techniques SO BIORESOURCE TECHNOLOGY LA English DT Article DE cornstover; botanical fractions; FT-NIR; fast analysis; chemometric analysis ID REFLECTANCE SPECTROSCOPY; NIR SPECTROSCOPY; FRUIT JUICES; SUGARS; IDENTIFICATION; QUALITY; BIOMASS; ASH AB The objectives of this research were to determine the variation of chemical composition across botanical fractions of cornstover, and to probe the potential of Fourier transform near-infrared (FT-NIR) techniques in qualitatively classifying separated cornstover fractions and in quantitatively analyzing chemical compositions of cornstover by developing calibration models to predict chemical compositions of cornstover based on FT-NIR spectra. Large variations of cornstover chemical composition for wide calibration ranges, which is required by a reliable calibration model, were achieved by manually separating the cornstover samples into six botanical fractions, and their chemical compositions were determined by conventional wet chemical analyses, which proved that chemical composition varies significantly among different botanical fractions of cornstover. Different botanic fractions, having total saccharide content in descending order, are husk, sheath, pith, rind, leaf, and node. Based on FT-NIR spectra acquired on the biomass, classification by Soft Independent Modeling of Class Analogy (SIMCA) was employed to conduct qualitative classification of cornstover fractions, and partial least square (PLS) regression was used for quantitative chemical composition analysis. SIMCA was successfully demonstrated in classifying botanical fractions of cornstover. The developed PLS model yielded root mean square error of prediction (RMSEP %w/w) of 0.92, 1.03, 0.17, 0.27, 0.21, 1.12, and 0.57 for glucan, xylan, galactan, arabinan, mannan, lignin, and ash, respectively. The results showed the potential of FT-NIR techniques in combination with multivariate analysis to be utilized by biomass feedstock suppliers, bioethanol manufacturers, and bio-power producers in order to better manage bioenergy feedstocks and enhance bioconversion. (C) 2007 Elsevier Ltd. All rights reserved. C1 [Ye, X. Philip; Liu, Lu; Hayes, Douglas; Womac, Alvin] Univ Tennessee, Dept Biosyst Engn & Soil Sci, Knoxville, TN 37996 USA. [Hong, Kunlun; Sokhansanj, Shahab] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Sokhansanj, Shahab] Univ British Columbia, Dept Biol & Chem Engn, Vancouver, BC V6T 1Z3, Canada. RP Ye, XP (reprint author), Univ Tennessee, Dept Biosyst Engn & Soil Sci, 2506 EJ Chapman Dr, Knoxville, TN 37996 USA. EM xye2@utk.edu RI Hong, Kunlun/E-9787-2015 OI Hong, Kunlun/0000-0002-2852-5111 NR 34 TC 40 Z9 40 U1 3 U2 24 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD OCT PY 2008 VL 99 IS 15 BP 7323 EP 7332 DI 10.1016/j.biortech.2007.12.063 PG 10 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 322IE UT WOS:000257367600073 ER PT J AU Bower, S Wickramasinghe, R Nagle, NJ Schell, DJ AF Bower, Shane Wickramasinghe, Ranil Nagle, Nicholas J. Schell, Daniel J. TI Modeling sucrose hydrolysis in dilute sulfuric acid solutions at pretreatment conditions for lignocellulosic biomass SO BIORESOURCE TECHNOLOGY LA English DT Article DE Arrhenius kinetics; corn stover; degradation; fructose; glucose ID AQUEOUS-SOLUTION; CORN STOVER; DEGRADATION; GLUCOSE; TEMPERATURE; KINETICS; DECOMPOSITION; LOSSES; SOLIDS; XYLOSE AB Agricultural and herbaceous feedstocks may contain appreciable levels of sucrose. The goal of this study was to evaluate the survivability of sucrose and its hydrolysis products, fructose and glucose, during dilute sulfuric acid processing at conditions typically used to pretreat lignocellulose biomass. Solutions containing 25 g/l sucrose with 0.1-2.0% (w/w) sulfuric acid concentrations were treated at temperatures of 160-200 circle C for 3-12 min. Sucrose was observed to completely hydrolyze at all treatment conditions. However, appreciable concentrations of fructose and glucose were detected and glucose was found to be significantly more stable than fructose. Different mathematical approaches were used to fit the kinetic parameters for acid-catalyzed thermal degradation of these sugars. Since both sugars may survive dilute acid pretreatment, they could provide an additional carbon source for production of ethanol and other bio-based products. (C) 2007 Published by Elsevier Ltd. C1 [Nagle, Nicholas J.; Schell, Daniel J.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. [Bower, Shane; Wickramasinghe, Ranil] Colorado State Univ, Dept Biol & Chem Engn, Ft Collins, CO 80523 USA. RP Schell, DJ (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. EM dan_schell@nrel.gov NR 23 TC 29 Z9 31 U1 2 U2 26 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD OCT PY 2008 VL 99 IS 15 BP 7354 EP 7362 DI 10.1016/j.biortech.2007.05.045 PG 9 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 322IE UT WOS:000257367600077 PM 17616458 ER PT J AU Plaza, GA Jangid, K Lukasik, K Nalecz-Jawecki, G Berry, CJ Brigmon, RL AF Plaza, Grazyna A. Jangid, Kamlesh Lukasik, Krystyna Nalecz-Jawecki, Grzegorz Berry, Christopher J. Brigmon, Robin L. TI Reduction of petroleum hydrocarbons and toxicity in refinery wastewater by bioremediation SO BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY LA English DT Article DE biodegradation; petroleum hydrocarbons; toxicity; microtox ID BIOSURFACTANT-PRODUCING BACTERIA; MICROBIAL SURFACTANTS; CONTAMINATED SOIL; BIODEGRADATION; CLASSIFICATION; REMEDIATION; REMOVAL AB The aim of the study was to investigate petroleum waste remediation and toxicity reduction by five bacterial strains: Ralstonia picketti SRS (BP-20), Alcaligenes piechaudii SRS (CZOR L-1B), Bacillus subtilis (I'-1a), Bacillus sp. (T-1), and Bacillus sp. (T'-1), previously isolated from petroleum-contaminated soils. Petroleum hydrocarbons were significantly degraded (91%) by the mixed bacterial cultures in 30 days (reaching up to 29% in the first 72 h). Similarly, the toxicity of the biodegraded petroleum waste decreased 3-fold after 30 days. This work shows the influence of bacteria on hydrocarbon degradation and associated toxicity, and its dependence on the specific microorganisms present. The ability of these mixed cultures to degrade hydrocarbons and reduce toxicity makes them candidates for environmental restoration applications at other hydrocarbon-contaminated environments. C1 [Plaza, Grazyna A.; Lukasik, Krystyna] Inst Ecol Ind Areas, PL-40844 Katowice, Poland. [Jangid, Kamlesh] Univ Georgia, Dept Microbiol, Athens, GA 30602 USA. [Nalecz-Jawecki, Grzegorz] Med Univ Warsaw, Dept Environm Hlth Sci, PL-02097 Warsaw, Poland. [Berry, Christopher J.; Brigmon, Robin L.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Plaza, GA (reprint author), Inst Ecol Ind Areas, PL-40844 Katowice, Poland. EM pla@ietu.katowice.pl OI Nalecz-Jawecki, Grzegorz/0000-0003-4945-3687 FU Polish Ministry of Science and Higher Education [3 TO9D 029 29]; Department of Microbiology, University of Georgia, Athens, Georgia USA; U. S. Department of Energy [DE-AC09-76SR00001] FX This paper was prepared in connection with work done under the project No 3 TO9D 029 29 from the Polish Ministry of Science and Higher Education. Dr. Jangid is currently supported by research grant from the USDA to Prof. William B Whitman at the Department of Microbiology, University of Georgia, Athens, Georgia USA. This paper was prepared in connection with work done under a subcontract to Contract No. DE-AC09-76SR00001 with the U. S. Department of Energy. NR 25 TC 9 Z9 13 U1 0 U2 8 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0007-4861 J9 B ENVIRON CONTAM TOX JI Bull. Environ. Contam. Toxicol. PD OCT PY 2008 VL 81 IS 4 BP 329 EP 333 DI 10.1007/s00128-008-9411-z PG 5 WC Environmental Sciences; Toxicology SC Environmental Sciences & Ecology; Toxicology GA 348YS UT WOS:000259246600001 PM 18663400 ER PT J AU Wulfmeyer, V Behrendt, A Bauer, HS Kottmeier, C Corsmeier, U Blyth, A Craig, G Schumann, U Hagen, M Crewell, S Di Girolamo, P Flamant, C Miller, M Montani, A Mobbs, S Richard, E Rotach, MW Arpagaus, M Russchenberg, H Schlussel, P Konig, M Gartner, V Steinacker, R Dorninger, M Turner, DD Weckwerth, T Hense, A Simmer, C AF Wulfmeyer, Volker Behrendt, Andreas Bauer, Hans-Stefan Kottmeier, Christoph Corsmeier, Ulrich Blyth, Alan Craig, George Schumann, Ulrich Hagen, Martin Crewell, Susanne Di Girolamo, Paolo Flamant, Cyrille Miller, Mark Montani, Andrea Mobbs, Stephen Richard, Evelyne Rotach, Mathias W. Arpagaus, Marco Russchenberg, Herman Schluessel, Peter Koenig, Marianne Gaertner, Volker Steinacker, Reinhold Dorninger, Manfred Turner, David D. Weckwerth, Tammy Hense, Andreas Simmer, Clemens TI THE CONVECTIVE AND OROGRAPHICALLY INDUCED PRECIPITATION STUDY A Research and Development Project of the World Weather Research Program for Improving Quantitative Precipitation Forecasting in Low-Mountain Regions SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY LA English DT Article ID MESOSCALE ALPINE PROGRAM AB The international field campaign called the Convective and Orographically-induced Precipitation Study (COPS) took place from June to August 2007 in southwestern Germany/eastern France. The overarching goal of COPS is to advance the quality of forecasts of orographically-induced convective precipitation by four-dimensional observations and modeling of its life cycle. COPS was endorsed as one of the Research and Development Projects of the World Weather Research Program (WWRP), and combines the efforts of institutions and scientists from eight countries. A strong collaboration between instrument principal investigators and experts on mesoscale modeling has been established within COPS. In order to study the relative importance of large-scale and small-scale forcing leading to convection initiation in low mountains, COPS is coordinated with a one-year General Observations Period in central Europe, the WWRP Forecast Demonstration Project MAP D-PHASE, and the first summertime European THORPEX Regional Campaign. Furthermore, the Atmospheric Radiation Measurement program Mobile Facility operated in the central COPS observing region for nine months in 2007. The article describes the scientific preparation of this project and the design of the observation systems. COPS will rest on three pillars: A unique synergy of observing systems, the next-generation high-resolution mesoscale models with improved model physics, and advanced data assimilation and ensemble prediction systems. These tools will be used to separate and to quantify errors in quantitative precipitation forecasting as well as to study the predictability of convective precipitation. (Page 1477) C1 [Wulfmeyer, Volker] Univ Hohenheim, Inst Phys & Meteorol, D-70599 Stuttgart, Germany. [Kottmeier, Christoph; Corsmeier, Ulrich] Univ Karlsruhe, Forschungszentrum Karlsruhe, Inst Meteorol & Climate Res IMK, Karlsruhe, Germany. [Blyth, Alan] Univ Leeds, Sch Environm, Leeds, W Yorkshire, England. [Craig, George; Schumann, Ulrich; Hagen, Martin] Deutsch Zentrum Luft & Raumfahrt Oberpfaffenhofen, Inst Atmospher Phys, Oberpfaffenhofen, Germany. [Crewell, Susanne] Univ Cologne, Inst Geophys & Meteorol, D-5000 Cologne, Germany. [Di Girolamo, Paolo] Univ Basilicata, Dipartimento Ingn & Fis Ambiente, I-85100 Potenza, Italy. [Flamant, Cyrille] Univ Paris 06, CNRS, Serv Aeron, Inst Pierre Simon Laplace, Paris, France. [Flamant, Cyrille] Univ Versailles St Quentin, Paris, France. [Miller, Mark] Brookhaven Natl Lab, Upton, NY 11973 USA. [Montani, Andrea] Serv IdroMeteorol, ARPA SIM, Bologna, Italy. [Mobbs, Stephen] Univ Leeds, NCAS, Leeds, W Yorkshire, England. [Richard, Evelyne] Univ Toulouse 3, CNRS, Lab Aerol, F-31062 Toulouse, France. [Rotach, Mathias W.; Arpagaus, Marco] Meteo Swiss, Zurich, Switzerland. [Russchenberg, Herman] Delft Univ Technol, Int Res Ctr Telecommun Transmiss & Radar IRCTR, Delft, Netherlands. [Koenig, Marianne; Gaertner, Volker] EUMETSAT, Darmstadt, Germany. [Steinacker, Reinhold; Dorninger, Manfred] Univ Vienna, Dept Meteorol & Geophys, Vienna, Austria. [Turner, David D.] Univ Wisconsin, Ctr Space Sci & Engn, Madison, WI 53706 USA. [Weckwerth, Tammy] Natl Ctr Atmospher Res, EOL, Boulder, CO 80307 USA. [Hense, Andreas; Simmer, Clemens] Univ Bonn, D-5300 Bonn, Germany. RP Wulfmeyer, V (reprint author), Univ Hohenheim, Inst Phys & Meteorol, Garbenstr 30, D-70599 Stuttgart, Germany. EM wulfmeyer@uni-hohenheim.de RI Y, wang/A-8866-2010; Richard, Evelyne/G-9506-2011; Craig, George/D-2577-2015; Kottmeier, Christoph/A-9553-2013; Corsmeier, Ulrich/B-2496-2013; Russchenberg, Herman/D-9022-2015; Simmer, Clemens/M-4949-2013; Crewell, Susanne/O-1640-2013 OI Craig, George/0000-0002-7431-8164; Simmer, Clemens/0000-0003-3001-8642; Crewell, Susanne/0000-0003-1251-5805 FU German Research Foundation; U.S. Department of Energy's Environmental Sciences Division; CNRS/INSU (Institut des Sciences de l'Univers); CNES (Centre National de la Recherche Spatiale); ANR (Agence Nationale pour la Recherche); Meteo-France; Austrian Science Foundation; University of Vienna FX The support of WWRP in the scientific planning of COPS and the excellent collaboration with the D-PHASE modeling community are greatly appreciated. COPS is a component of the Priority Program 1167 funded by the German Research Foundation. We thank DWD for providing COSMO-EU forecasts for model evaluation. The ARM program, funded by the U.S. Department of Energy's Environmental Sciences Division, provided the unique AMF to COPS. COPS is further supported by CNRS/INSU (Institut des Sciences de l'Univers), CNES (Centre National de la Recherche Spatiale), ANR (Agence Nationale pour la Recherche), and Meteo-France, as well as by the Austrian Science Foundation (FWF) and the University of Vienna. NR 16 TC 179 Z9 180 U1 2 U2 24 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0003-0007 EI 1520-0477 J9 B AM METEOROL SOC JI Bull. Amer. Meteorol. Soc. PD OCT PY 2008 VL 89 IS 10 BP 1477 EP 1486 DI 10.1175/2008BAMS2367.1 PG 10 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 370BN UT WOS:000260737800009 ER PT J AU Shupe, MD Daniel, JS de Boer, G Eloranta, EW Kollias, P Long, CN Luke, EP Turner, DD Verlinde, J AF Shupe, Matthew D. Daniel, John S. de Boer, Gijs Eloranta, Edwin W. Kollias, Pavlos Long, Charles N. Luke, Edward P. Turner, David D. Verlinde, Johannes TI A FOCUS ON MIXED-PHASE CLOUDS The Status of Ground-Based Observational Methods SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY LA English DT Article ID RADIATION MEASUREMENT PROGRAM; LIQUID WATER PATH; EMITTED RADIANCE INTERFEROMETER; RADAR MEASUREMENTS; REMOTE SENSORS; DOPPLER RADAR; AIRCRAFT OBSERVATIONS; OPTICAL-THICKNESS; LIDAR OBSERVATION; ICE PARTICLES AB The phase composition and microphysical structure of clouds define the manner in which they modulate atmospheric radiation and contribute to the hydrologic cycle. Issues regarding cloud phase partitioning and transformation come to bear directly in mixed-phase clouds, and have been difficult to address within current modeling frameworks. Ground-based, remote-sensing observations of mixed-phase clouds can contribute a significant body of knowledge with which to better understand, and thereby more accurately model, clouds and their phase-defining processes. Utilizing example observations from the Mixed-Phase Arctic Cloud Experiment (M-PACE), which occurred at the Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Program's Climate Research Facility in Barrow, Alaska, during autumn 2004, we review the current status of ground-based observation and retrieval methods used in characterizing the macrophysical, microphysical, radiative, and dynamical properties of stratiform mixed-phase clouds. In general, cloud phase, boundaries, ice properties, liquid water path, optical depth, and vertical velocity are available from a combination of active and passive sensors. Significant deficiencies exist in our ability to vertically characterize the liquid phase, to distinguish ice crystal habits, and to understand aerosol-cloud interactions. Further validation studies are needed to evaluate, improve, and expand our retrieval abilities in mixed-phase clouds. (Page 1549) C1 [Shupe, Matthew D.] Univ Colorado, NOAA, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Shupe, Matthew D.; Daniel, John S.] NOAA, Earth Sci Res Lab, Boulder, CO USA. [de Boer, Gijs; Eloranta, Edwin W.] Univ Wisconsin, Madison, WI USA. [Kollias, Pavlos; Luke, Edward P.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Long, Charles N.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Turner, David D.] Univ Wisconsin, Ctr Space Sci & Engn, Madison, WI 53706 USA. [Verlinde, Johannes] Penn State Univ, University Pk, PA 16802 USA. RP Shupe, MD (reprint author), R PSD3,325 Broadway, Boulder, CO 80305 USA. EM matthew.shupe@noaa.gov RI Daniel, John/D-9324-2011; de Boer, Gijs/F-3949-2011; Shupe, Matthew/F-8754-2011; Manager, CSD Publications/B-2789-2015 OI de Boer, Gijs/0000-0003-4652-7150; Shupe, Matthew/0000-0002-0973-9982; FU Office of Science (BER); U.S. Department of Energy FX This research was supported by the Office of Science (BER), U.S. Department of Energy. Thanks to the ARM Program and MPACE team for collecting a well-focused mixed-phase cloud dataset. NR 66 TC 53 Z9 55 U1 1 U2 18 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 OCT PY 2008 VL 89 IS 10 BP 1549 EP + DI 10.1175/2008BAMS2378.1 PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 370BN UT WOS:000260737800020 ER PT J AU Gupta, IN Patton, HJ AF Gupta, Indra N. Patton, Howard J. TI Difference spectrograms: A new method for studying S-wave generation from explosions SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID NUCLEAR-EXPLOSIONS; GROUP-VELOCITY; TEST SITES; LG; NTS; KAZAKH AB A new method for studying the source characteristics of regional phases including explosion-generated S waves is developed and utilizes differences between spectrograms of two closely located explosions recorded at a common station. Relative source effects of a normal-buried explosion with respect to an overburied explosion are isolated in the resultant difference spectrogram because path and receiver site effects cancel. Difference spectrograms provide a global view of the relative frequency content, while the spectral ratio method is specific to the time window selected for Fourier analysis. Difference spectrograms for Nevada test site (NTS) explosions are characterized by the presence of amplitude modulations in Pg coda, in time windows predicted for Sn and Lg, and in long-duration Lg codas. Previous studies have modeled similar features in Lg spectral ratios by invoking the Rg-to-S scattering hypothesis and the notion of Rg imprinting, where the modulations arise due to interference of Rg waves from explosion and induced tensile failure sources. We propose that spectral peaking at low frequencies in Lg spectra is related to resonances in the source medium that affect the excitation and propagation of Rg waves, adding further support to Rg imprinting and the Rg-to-S scattering hypothesis. Difference spectrograms for explosion pairs Rousanne/Techado and Baseball/Borrego are interpreted to have a spectral null related to a pulse of Rg-derived energy from a common scatterer. Using the relative timing of this null, we estimate an Rg velocity (similar to 0.8 km/sec) and locate a candidate scattering source at the Yucca Basin boundary near Climax Stock. Difference spectrograms provide a wealth of information about the spectral content of regional phases related to source effects, which can be used to gain insights into source generation processes. C1 [Patton, Howard J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Gupta, IN (reprint author), 4712 Devereaux Court, Centreville, VA 20120 USA. EM igupta@cox.net FU Department of Energy [DE-AC52-06NA25396]; Small Business Innovative Research (SBIR) [DE-FG02-03ER83720] FX We thank Steve Taylor for a critical review of the original manuscript. Mark Fisk and a second reviewer provided many comments that improved the final draft. Robert A. Wagner of Harris Corporation provided computer assistance with coding the difference-spectrogram method and processing waveforms. We thank Jeff Stevens and Eli Baker for bringing the peaking in Techado's spectrum to our attention. This work was supported in part by the Department of Energy, Small Business Innovative Research (SBIR) Phase I, Grant Number DE-FG02-03ER83720. H. J. P. performed this work under the auspices of the Department of Energy for the Los Alamos National Laboratory under Contract Number DE-AC52-06NA25396. NR 21 TC 4 Z9 4 U1 0 U2 1 PU SEISMOLOGICAL SOC AMER PI EL CERRITO PA PLAZA PROFESSIONAL BLDG, SUITE 201, EL CERRITO, CA 94530 USA SN 0037-1106 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD OCT 1 PY 2008 VL 98 IS 5 BP 2460 EP 2468 DI 10.1785/0120080057 PG 9 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 355IX UT WOS:000259703700024 ER PT J AU Bonner, J Herrmann, RB Harkrider, D Pasyanos, M AF Bonner, Jessie Herrmann, Robert B. Harkrider, David Pasyanos, Michael TI The surface wave magnitude for the 9 October 2006 North Korean nuclear explosion SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID NEVADA TEST-SITE; TELESEISMIC DISTANCES; YIELD ESTIMATION; TIME-DOMAIN; M-S; PERIOD; DISCRIMINATION; MS AB Surface waves were generated by the North Korean nuclear explosion of 9 October 2006 and were recorded at epicentral distances up to 34, from which we estimated a surface wave magnitude (M-s) of 2.94 with an interstation standard deviation of 0.17 magnitude units. The International Data Center estimated a body-wave magnitude (m(b)) of 4.1. This is the only explosion we have analyzed that was not easily screened as an explosion based on the differences between the M-s and m(b) estimates. Additionally, this M-s predicts a yield, based on empirical M-s/yield relationships, that is almost an order of magnitude larger than the 0.5-1 kt reported for this explosion. We investigate how emplacement medium effects on surface wave moment and magnitude may have contributed to the yield discrepancy. C1 [Bonner, Jessie] Weston Geophys Corp, Lufkin, TX 75901 USA. [Herrmann, Robert B.] St Louis Univ, St Louis, MO 63108 USA. [Harkrider, David] Weston Geophys Corp, Lexington, MA 02420 USA. [Pasyanos, Michael] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Bonner, J (reprint author), Weston Geophys Corp, 4000 S Medford,Suite 10W, Lufkin, TX 75901 USA. EM bonner@westongeophysical.com; rbh@eas.slu.edu; hark@ourconcord.net; pasyanos1@llnl.gov RI Pasyanos, Michael/C-3125-2013 FU National Nuclear Security Administration Office of Nonproliferation Research and Development; Office of Defense Nuclear Nonproliferation [DE-AC52-04NA25547]; U. S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344, LLNL-JRNL-402269] FX We wish to thank Ana Stroujkova and Delaine Reiter for help acquiring some of these waveform data. Also, we have had helpful discussions with Mark Woods, Leigh House, Keith Koper, Jeff Stevens, Neil Selby, David Bowers, and Kevin Mayeda regarding manuscript preparation and the interpretation of these results. This research was sponsored by the National Nuclear Security Administration Office of Nonproliferation Research and Development and by the Office of Defense Nuclear Nonproliferation under Contract Number DE-AC52-04NA25547. This work was also performed under the auspices of the U. S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract Number DE-AC52-07NA27344. This is LLNL Contribution Number LLNL-JRNL-402269. NR 40 TC 15 Z9 15 U1 0 U2 0 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 OCT 1 PY 2008 VL 98 IS 5 BP 2498 EP 2506 DI 10.1785/0120080929 PG 9 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 355IX UT WOS:000259703700027 ER PT J AU Wang, XL Ni, JF Aster, R Sandvol, E Wilson, D Sine, C Grand, SP Baldridge, WS AF Wang, Xinling Ni, James F. Aster, Richard Sandvol, Eric Wilson, David Sine, Christopher Grand, Stephen P. Baldridge, W. Scott TI Shear-wave splitting and mantle flow beneath the Colorado Plateau and its boundary with the Great Basin SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID WESTERN UNITED-STATES; SEISMIC ANISOTROPY; NORTH-AMERICA; CENTRAL UTAH; DEFORMATION; MODEL; LITHOSPHERE; CONSTRAINTS; TECTONICS; PATTERNS AB Shear-wave splitting measurements from SKS and SKKS phases show fast polarization azimuths that are subparallel to North American absolute plate motion within the central Rio Grande Rift (RGR) and Colorado Plateau (CP) through to the western rim of the CP, with anisotropy beneath the CP and central RGR showing a remarkably consistent pattern with a mean fast azimuth of 4 degrees +/- degrees 6 E of N. Approaching the rim from the southeast, fast anisotropic directions become north-northeast-south-southwest (NNE-SSW), rotate counter clockwise to north-south in the CP-GB transition, and then to NNW-SSE in the western Great Basin ( GB). This change is coincident with uppermost mantle S-wave velocity perturbations that vary from +4% beneath the western CP and the eastern edge of the Marysvale volcanic field to about -8% beneath the GB. Corresponding delay times average 1.5 sec beneath the central CP, decrease to approximately 0.8 sec near the CP-GB transition, and increase to about 1.2 sec beneath the GB. For the central CP, we suggest anisotropy predominantly controlled by North American plate motion above the asthenosphere. The observed pattern of westward-rotating anisotropy from the western CP through the CP-GB transition may be influenced to asthenospheric flow around a CP lithospheric keel and/or by vertical flow arising from edge-driven small-scale convection. The anisotropic transition from the CP to the GB thus marks a first-order change from absolute plate motion dominated lithosphere-asthenosphere shear to a new regime controlled by regional flow processes. The NNW-SSE anisotropic fast directions of split SKS waves in the eastern GB area are part of a broad circular pattern of seismic anisotropic fast direction in the central GB that has recently been hypothesized to be due to toroidal flow around the sinking Juan de Fuca-Gorda slab. C1 [Wang, Xinling; Ni, James F.] New Mexico State Univ, Dept Phys, MSC 3D, Las Cruces, NM 88003 USA. [Aster, Richard] New Mexico Inst Min & Technol, Dept Earth & Environm Sci, Socorro, NM 87801 USA. [Aster, Richard] New Mexico Inst Min & Technol, Geophys Res Ctr, Socorro, NM 87801 USA. [Sandvol, Eric] Univ Missouri, Dept Geol Sci, Columbia, MO 65211 USA. [Wilson, David; Sine, Christopher; Grand, Stephen P.] Univ Texas Austin, Dept Geol Sci, Austin, TX 78712 USA. [Baldridge, W. Scott] Los Alamos Natl Lab, Div Earth & Environm Sci, MS D462, Los Alamos, NM 87545 USA. RP Wang, XL (reprint author), New Mexico State Univ, Dept Phys, MSC 3D, Las Cruces, NM 88003 USA. EM jni@mnsu.edu RI Grand, Stephen/B-4238-2011; Aster, Richard/E-5067-2013 OI Aster, Richard/0000-0002-0821-4906 FU National Science Foundation [EAR 9706094, 9707188, 9707190, 0207812]; Los Alamos National Laboratory Institute of Geophysics and Planetary Physics; National Science Foundation Cooperative [EAR-000430]; Department of Energy National Nuclear Security Administration FX This research was supported by National Science Foundation Grants Number EAR 9706094, Number 9707188, Number 9707190, and Number 0207812, and by the Los Alamos National Laboratory Institute of Geophysics and Planetary Physics. Instruments and critical field and data assistance were provided by the PASSCAL facility of the Incorporated Research Institutions for Seismology (IRIS) through the PASSCAL Instrument Center at NewMexico Tech. IRIS facilities are supported by National Science Foundation Cooperative Agreement Number EAR-000430 and the Department of Energy National Nuclear Security Administration. We thank George Zandtand Gene Humphreys for providing a preprint of Zandt and Humphreys (2008). NR 42 TC 10 Z9 10 U1 0 U2 11 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 OCT 1 PY 2008 VL 98 IS 5 BP 2526 EP 2532 DI 10.1785/0120080107 PG 7 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 355IX UT WOS:000259703700030 ER PT J AU Huang, Y Gellman, AJ AF Huang, Ye Gellman, Andrew J. TI Enantiospecific adsorption of (R)-3-Methylcyclohexanone on naturally chiral Cu(531)(R&S) surfaces SO CATALYSIS LETTERS LA English DT Article DE chiral; enantioselective; enantiospecific; surface; high Miller index; copper ID METAL-SURFACES; CU(643); DESORPTION; CATALYSIS AB The enantiospecific adsorption and desorption of (R)-3-methylcyclohexanone on naturally chiral Cu(531)(R&S) surfaces was studied using temperature programmed desorption. The Cu(531)(R&S) surfaces are of interest because they lie at the center of the stereographic triangle and thus, have the highest density of chiral adsorption sites possible on the surface of a face centered cubic metal. Several (R)-3-methylcyclohexanone desorption features were resolved in the TPD spectra from Cu(531)(R&S) surfaces and were assigned to desorption of molecules from terrace, step, and kink sites. The peaks associated with (R)-3-methylcyclohexanone desorbing from the R- and S-kink sites differed in temperature by 2.2 +/- 0.6 K. This corresponds to an enantiospecific difference in the desorption energies of 0.5 +/- 0.2 kJ/mol, with a preference for adsorption of (R)-3-methylcyclohexanone at the S-kinks on the Cu(531)(S) surface. C1 [Gellman, Andrew J.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Huang, Ye] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. RP Gellman, AJ (reprint author), US DOE, Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA. EM gellman@cmu.edu RI Gellman, Andrew/M-2487-2014 OI Gellman, Andrew/0000-0001-6618-7427 FU US DOE [DE-FG02-03ER15472] FX The authors would like to acknowledge support from the US DOE through grant number DE-FG02-03ER15472. NR 26 TC 22 Z9 22 U1 2 U2 12 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1011-372X J9 CATAL LETT JI Catal. Lett. PD OCT PY 2008 VL 125 IS 3-4 BP 177 EP 182 DI 10.1007/s10562-008-9600-8 PG 6 WC Chemistry, Physical SC Chemistry GA 351GK UT WOS:000259412500002 ER PT J AU Yang, Y Mims, CA Disselkamp, RS Mei, D Kwak, JH Szanyi, J Peden, CHF Campbell, CT AF Yang, Y. Mims, C. A. Disselkamp, R. S. Mei, D. Kwak, Ja-Hun Szanyi, J. Peden, C. H. F. Campbell, C. T. TI Isotope effects in methanol synthesis and the reactivity of copper formates on a Cu/SiO(2) catalyst SO CATALYSIS LETTERS LA English DT Article DE isotope effects; formate; copper catalyst; methanol synthesis; reverse water gas shift; IR-MS ID WATER-GAS SHIFT; SILICA-SUPPORTED COPPER; CU(110) MODEL CATALYSTS; ELECTRON-ENERGY-LOSS; FORMIC-ACID; PT/CEO2 CATALYST; METHYL FORMATE; KINETIC-MODEL; ADSORPTION; DECOMPOSITION AB Here we investigate isotope effects on the catalytic methanol synthesis reaction and the reactivity of copper-bound formate species in CO(2)-H(2) atmospheres on Cu/SiO(2) catalysts by simultaneous IR and MS measurements, both steady-state and transient. Studies of isotopic variants (H/D, (12)C/(13)C) reveal that bidentate formate dominates the copper surface at steady state. The steady-state formate coverages of HCOO (in 6 bar 3:1 H(2):CO(2)) and DCOO (in D(2):CO(2)) are similar and the steady-state formate coverages in both systems decrease by similar to 80% from 350 K to 550 K. Over the temperature range 413 K-553 K, the steady-state methanol synthesis rate shows a weak H/D isotope effect (1.05 +/- 0.05) with somewhat higher activation energies in H(2):CO(2) (79 kJ/mole) than D(2):CO(2) (71 kJ/mole) over the range 473 K-553 K. The reverse water gas shift (RWGS) rates are higher than methanol synthesis and also shows a weak positive H/D isotope effect with higher activation energy for H(2)/CO(2) than D(2)/CO(2) (108 vs. and 102 kJ/mole) The reactivity of the resulting formate species in 6 bar H(2), 6 bar D(2) and 6 bar Ar is strongly dominated by decomposition back to CO(2) and H(2). H(2) and D(2) exposure compared to Ar do not enhance the formate decomposition rate. The decomposition profiles on the supported catalyst deviate from first order decay, indicating distributed surface reactivity. The average decomposition rates are similar to values previously reported on single crystals. The average activation energies for formate decomposition are 90 +/- 17 kJ/mole for HCOO and 119 +/- 11 kJ/mole for DCOO. By contrast to the catalytic reaction rates, the formate decomposition rate shows a strong H/D kinetic isotope effect (H/D similar to 8 at 413 K), similar to previously observed values on Cu(110). C1 [Mims, C. A.] Univ Toronto, Dept Chem Engn & Appl Chem, Toronto, ON M5S 3E5, Canada. [Yang, Y.; Disselkamp, R. S.; Mei, D.; Kwak, Ja-Hun; Szanyi, J.; Peden, C. H. F.] Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99354 USA. [Campbell, C. T.] Univ Washington, Dept Chem, Seattle, WA 98195 USA. RP Mims, CA (reprint author), Univ Toronto, Dept Chem Engn & Appl Chem, 200 Coll St, Toronto, ON M5S 3E5, Canada. EM charles.mims@utoronto.ca RI Mei, Donghai/D-3251-2011; Mei, Donghai/A-2115-2012; Kwak, Ja Hun/J-4894-2014; OI Mei, Donghai/0000-0002-0286-4182; Peden, Charles/0000-0001-6754-9928 FU Laboratory Directed Research and Development (LDRD); US Department of Energy Office of Biological and Environmental Research; Department of Energy, Office of Basic Energy Sciences, Chemical Sciences Division [DE-FG02-96ER14630] FX This project was performed at the Institute for Interfacial Catalysis (ICC) at Pacific Northwest National Laboratory (PNNL), and funded by a Laboratory Directed Research and Development (LDRD) grant as part of the Catalysis Initiative program administered by PNNL. The work was carried out in the Environmental Molecular Sciences Laboratory (EMSL) at PNNL, a National Scientific User facility supported by the US Department of Energy Office of Biological and Environmental Research. PNNL is operated by Battelle Memorial Institute for the U.S. Department of Energy. CTC would like to acknowledge the Department of Energy, Office of Basic Energy Sciences, Chemical Sciences Division grant number DE-FG02-96ER14630, for support of this work. CAM gratefully acknowledges PNNL support for his participation as visiting professor during the summer of 2007. NR 48 TC 22 Z9 23 U1 1 U2 31 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1011-372X J9 CATAL LETT JI Catal. Lett. PD OCT PY 2008 VL 125 IS 3-4 BP 201 EP 208 DI 10.1007/s10562-008-9592-4 PG 8 WC Chemistry, Physical SC Chemistry GA 351GK UT WOS:000259412500006 ER PT J AU Goering, J Burghaus, U Arey, BW Eidelman, O Zak, A Tenne, R AF Goering, J. Burghaus, U. Arey, B. W. Eidelman, O. Zak, A. Tenne, R. TI Reactive and non-reactive interactions of thiophene with WS(2) fullerene-like nanoparticles: An ultra-high vacuum surface chemistry study SO CATALYSIS LETTERS LA English DT Article DE hydrodesulfurization; thiophene; hydrogen; CO; oxygen; WS(2) nanoparticles; kinetics; thermal desorption spectroscopy; TDS ID MOS2 NANOCLUSTERS; ADSORPTION-KINETICS; THERMAL-DESORPTION; METAL-OXIDES; CATALYST; HYDRODESULFURIZATION; MORPHOLOGY; NANOTUBES; MECHANISM; METHANOL AB The adsorption kinetics of thiophene on WS(2) nanoparticles with fullerene-like (onion-like) structure has been studied at ultra-high vacuum conditions by sample temperature ramping techniques. At low temperatures, thiophene adsorbs molecularly. The formation of H(2)S and alkanes is evident at greater temperatures on fully sulfided as well as reduced and oxidized WS(2) nanoparticles. C1 [Goering, J.; Burghaus, U.] N Dakota State Univ, Dept Chem & Mol Biol, Fargo, ND 58105 USA. [Arey, B. W.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Eidelman, O.; Tenne, R.] Weizmann Inst Sci, Dept Mat & Interfaces, IL-76100 Rehovot, Israel. [Zak, A.] NanoMat LTD, IL-74140 Ness Ziona, Israel. RP Burghaus, U (reprint author), N Dakota State Univ, Dept Chem & Mol Biol, Fargo, ND 58105 USA. EM uwe.burghaus@ndsu.edu FU NSF-CAREER [CHE-0743932]; DoE [FAR0013206]; NanoMaterials, Ltd.; H. Perlman Foundation; Moskowitz Center for Bio-Nano Imaging of the Weizmann Institute FX NDSU acknowledges financial support through an NSF-CAREER (CHE-0743932) Grant and by the DoE (``Catalyis and Chemical Transformation''-FAR0013206). Work was also performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the DoE. RT acknowledges the support of ``NanoMaterials, Ltd.'' and the H. Perlman Foundation and the Moskowitz Center for Bio-Nano Imaging of the Weizmann Institute. RT is the director of the Helen and Martin Kimmel center for Nanoscale Science and holds the Drake Family Chair in Nanotechnology. NR 26 TC 10 Z9 10 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1011-372X J9 CATAL LETT JI Catal. Lett. PD OCT PY 2008 VL 125 IS 3-4 BP 236 EP 242 DI 10.1007/s10562-008-9565-7 PG 7 WC Chemistry, Physical SC Chemistry GA 351GK UT WOS:000259412500011 ER PT J AU Engen, JR Wales, TE Hochrein, JM Meyn, MA Ozkan, SB Bahar, I Smithgall, TE AF Engen, J. R. Wales, T. E. Hochrein, J. M. Meyn, M. A., III Ozkan, S. Banu Bahar, I. Smithgall, T. E. TI Structure and dynamic regulation of Src-family kinases SO CELLULAR AND MOLECULAR LIFE SCIENCES LA English DT Review DE Src-family kinases; SH3 domain; SH2 domain; hydrogen exchange mass spectrometry; Gaussian Network Model ID HCK TYROSINE KINASE; C-SRC; SH3 DOMAIN; HIV-1 NEF; CRYSTAL-STRUCTURE; HIGH-AFFINITY; HYDROGEN-EXCHANGE; MASS-SPECTROMETRY; TRANSGENIC MICE; TERMINAL TYROSINE AB Src-family kinases are modular signaling proteins involved in a diverse array of cellular processes. All members of the Src family share the same domain organization, with modular SH3, SH2 and kinase domains followed by a C-terminal negative regulatory tail. X-ray crystallographic analyses of several Src family members have revealed critical roles for the SH3 and SH2 domains in the down-regulation of the kinase domain. This review focuses on biological, biophysical, and computational studies that reveal conformationally distinct active states within this unique kinase family. C1 [Meyn, M. A., III; Smithgall, T. E.] Univ Pittsburgh, Dept Microbiol & Mol Genet, Sch Med, Pittsburgh, PA 15261 USA. [Engen, J. R.; Wales, T. E.] Northeastern Univ, Dept Chem & Chem Biol, Boston, MA 02115 USA. [Engen, J. R.; Wales, T. E.] Northeastern Univ, Barnett Inst Chem & Biol Anal, Boston, MA 02115 USA. [Hochrein, J. M.] Sandia Natl Labs, Mat Reliabil Dept, Albuquerque, NM 87185 USA. [Ozkan, S. Banu] Arizona State Univ, Dept Phys, Ctr Biol Phys, Tempe, AZ 85287 USA. [Bahar, I.] Univ Pittsburgh, Dept Computat Biol, Sch Med, Pittsburgh, PA 15261 USA. RP Smithgall, TE (reprint author), Univ Pittsburgh, Dept Microbiol & Mol Genet, Sch Med, E1240 Biomed Sci Tower, Pittsburgh, PA 15261 USA. EM tsmithga@pitt.edu FU National Institutes of Health [CA081398, CA101828, GM070590]; Barnett Institute [917] FX The authors would like to acknowledge generous support from the National Institutes of Health (CA081398 and CA101828 to TES and GM070590 to JRE). This is contribution # 917 from the Barnett Institute. NR 91 TC 85 Z9 88 U1 1 U2 27 PU SPRINGER BASEL AG PI BASEL PA PICASSOPLATZ 4, BASEL, 4052, SWITZERLAND SN 1420-682X EI 1420-9071 J9 CELL MOL LIFE SCI JI Cell. Mol. Life Sci. PD OCT PY 2008 VL 65 IS 19 BP 3058 EP 3073 DI 10.1007/s00018-008-8122-2 PG 16 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 355GE UT WOS:000259696600010 PM 18563293 ER PT J AU Somorjai, GA Park, JY AF Somorjai, Gabor A. Park, Jeong Y. TI Molecular surface chemistry by metal single crystals and nanoparticles from vacuum to high pressure SO CHEMICAL SOCIETY REVIEWS LA English DT Review ID SUM-FREQUENCY GENERATION; SCANNING-TUNNELING-MICROSCOPY; CO OXIDATION; IN-SITU; VIBRATIONAL SPECTROSCOPY; PLATINUM NANOPARTICLES; BENZENE HYDROGENATION; CARBON-MONOXIDE; BIMETALLIC NANOPARTICLES; ETHYLENE HYDROGENATION AB Model systems for studying molecular surface chemistry have evolved from single crystal surfaces at low pressure to colloidal nanoparticles at high pressure. Low pressure surface structure studies of platinum single crystals using molecular beam surface scattering and low energy electron diffraction techniques probe the unique activity of defects, steps and kinks at the surface for dissociation reactions (H-H, C-H, C-C, O=O bonds). High-pressure investigations of platinum single crystals using sum frequency generation vibrational spectroscopy have revealed the presence and the nature of reaction intermediates. High pressure scanning tunneling microscopy of platinum single crystal surfaces showed adsorbate mobility during a catalytic reaction. Nanoparticle systems are used to determine the role of metal-oxide interfaces, site blocking and the role of surface structures in reactive surface chemistry. The size, shape and composition of nanoparticles play important roles in determining reaction activity and selectivity and is covered in this tutorial review. C1 [Somorjai, Gabor A.; Park, Jeong Y.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Somorjai, Gabor A.; Park, Jeong Y.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Somorjai, Gabor A.; Park, Jeong Y.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Somorjai, GA (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM somorjai@berkeley.edu RI Park, Jeong Young/A-2999-2008 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 Materials Sciences and Engineering of the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 55 TC 83 Z9 83 U1 6 U2 75 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0306-0012 J9 CHEM SOC REV JI Chem. Soc. Rev. PD OCT PY 2008 VL 37 IS 10 BP 2155 EP 2162 DI 10.1039/b719148k PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 352OC UT WOS:000259505600002 PM 18818818 ER PT J AU Zuo, JX Sorensen, P Cai, XZ Heinz, M Ma, YG AF Zuo Jia-Xu Sorensen Paul Cai Xiang-Zhou Heinz Mark Ma Yu-Gang TI Particle correlation in p plus p collision root s(NN)=200 GeV in PYTHIA SO CHINESE PHYSICS C LA English DT Article DE particle correlation; PYTHIA; gluon jet; quark jet AB We calculated the relative abundances of charge hadron, K-S(0), A and A in the near-side and away-side cones correlated with triggered high P-T particles in minimum bias in p+p collisions at root s(NN) = 200 GeV in the PYTHIA model. From the quark and gluon jet events in the PYTHIA model, we have found that the particle yields' different splitting. So the di-hadron correlation in the quark jet events and gluon jet events are also presented. And the particle charge dependance of the di-hadron correlation is extracted from the PYTHIA model. The di-hadron plus and di-hadron minus correlations are similar in the near-side (Delta phi similar to 0), but in the away-side, the di-hadron minus correlation seems to be lower. The Hadron-K-S(0) and -Lambda+(Lambda) over bar correlations seem to be differet. We have used a double-Gaussian function to fit those correlation functions and compared the fit parameters. C1 [Zuo Jia-Xu; Cai Xiang-Zhou; Ma Yu-Gang] CAS, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China. [Sorensen Paul; Ma Yu-Gang] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Heinz Mark] Yale Univ, New Haven, CT 06520 USA. RP Zuo, JX (reprint author), CAS, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China. EM caixiangzhou@sinap.ac.cn; mayugang@sinap.ac.cn FU Shanghai Development Foundation for Science and Technology [05XD14021, 06JC14082]; National Natural Science Foundation of China [10875159, 10535010, 10328259, 10135030] FX Supported by Shanghai Development Foundation for Science and Technology (05XD14021, 06JC14082) and National Natural Science Foundation of China (10875159, 10535010, 10328259, 10135030) NR 22 TC 0 Z9 0 U1 0 U2 0 PU CHINESE PHYSICAL SOC PI BEIJING PA P O BOX 603, BEIJING 100080, PEOPLES R CHINA SN 1674-1137 J9 CHINESE PHYS C JI Chin. Phys. C PD OCT PY 2008 VL 32 SU 2 BP 13 EP 16 PG 4 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 388CQ UT WOS:000261998300003 ER PT J AU Zhu, SJ Wang, JG Chen, YJ Hamilton, JH Ramayya, AV Hwang, JK Rasmussen, JO Luo, YX Li, K Che, XL Ding, HB Li, ML Xu, Q Gu, L AF Zhu Sheng-Jiang Wang Jian-Guo Chen Yong-Jing Hamilton, J. H. Ramayya, A. V. Hwang, J. K. Rasmussen, J. O. Luo, Y. X. Li, K. Che Xing-Lai Ding Huai-Bo Li Ming-Liang Xu Qiang Gu Long TI Some progress in research on octupole deformation around Z=56, N=88 nuclei SO CHINESE PHYSICS C LA English DT Article DE high spin states; octupole deformation; neutron-rich nucleus ID DECAY; CONSEQUENCES; PROTON; BA-143; LA-143 AB Recent-progress in research on octupole deformation around Z=56, N=88 neutron-rich nuclei by our cooperative groups of Tsinghua University, Vanderbilt University and Lawrence Berkeley National Laboratory has been introduced. The experiment was carried out by measuring the prompt gamma-rays in spontaneous fission of (252)Cf with the Gammasphere detector array. The new results of high spin states in (143)La and (148)Ce have been obtained and the octupole deformation bands are identified in both nuclei. The important structural characteristics have been discussed. C1 [Zhu Sheng-Jiang; Wang Jian-Guo; Chen Yong-Jing; Che Xing-Lai; Ding Huai-Bo; Li Ming-Liang; Xu Qiang; Gu Long] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China. [Hamilton, J. H.; Ramayya, A. V.; Hwang, J. K.; Rasmussen, J. O.; Luo, Y. X.; Li, K.] Vanderbilt Univ, Dept Phys, Nashville, TN 37235 USA. [Luo, Y. X.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Chen Yong-Jing] China Inst Atom Energy, Beijing 102413, Peoples R China. RP Zhu, SJ (reprint author), Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China. EM zhushj@mail.tsinghua.edu.cn FU National Natural Science Foundation of China [0575057, 10775078]; Major State Basic Research Development Program [2007CB815005]; Special Program of Higher Education Science Foundation [20070003149]; U.S. Department of Energy [DEFG05-88ER40407, DE-AC03-76SFOO098] FX Supported by National Natural Science Foundation of China (10575057, 10775078), Major State Basic Research Development Program (2007CB815005) and Special Program of Higher Education Science Foundation (20070003149). The work at Vanderbilt University, Lawrence Berkeley National Laboratory, are supported, respectively, by U.S. Department of Energy (DEFG05-88ER40407, DE-AC03-76SFOO098) NR 16 TC 0 Z9 0 U1 0 U2 2 PU SCIENCE PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 1674-1137 J9 CHINESE PHYS C JI Chin. Phys. C PD OCT PY 2008 VL 32 BP 127 EP 130 PG 4 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 388CQ UT WOS:000261998300033 ER PT J AU You, ZY Mao, YJ AF You Zheng-Yun Mao Ya-Jun CA PHENIX Collaboration TI Forward vertex detector upgrade for the PHENIX experiment at RHIC SO CHINESE PHYSICS C LA English DT Article DE silicon detector; PHENIX AB A new forward vertex detector is under construction for the PHENIX experiment and will be installed in 2011. The device consists of two sets of four disks of silicon mini-strips and matches the acceptance of the existing muon detectors, and will provide precise vertex measurement for charged tracks. The forward vertex detector is designed to greatly enhance the heavy-flavor physics capabilities on PHENIX. The structure of the proposed device and its performance from Monte Carlo studies are presented. C1 [You Zheng-Yun; Mao Ya-Jun] Peking Univ, Sch Phys, Beijing 100871, Peoples R China. [You Zheng-Yun; Mao Ya-Jun] Peking Univ, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China. [You Zheng-Yun] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP You, ZY (reprint author), Peking Univ, Sch Phys, Beijing 100871, Peoples R China. EM youzy@hep.pku.edu.cn; maoyj@hep.pku.edu.cn FU National Natural Science Foundation of China [10675004, 10375002]; Doctoral Fund of Ministry of Education of China FX Supported by National Natural Science Foundation of China (10675004, 10375002) and Doctoral Fund of Ministry of Education of China NR 4 TC 0 Z9 0 U1 0 U2 1 PU CHINESE PHYSICAL SOC PI BEIJING PA P O BOX 603, BEIJING 100080, PEOPLES R CHINA SN 1674-1137 J9 CHINESE PHYS C JI Chin. Phys. C PD OCT PY 2008 VL 32 SU 2 BP 194 EP 196 PG 3 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 388CQ UT WOS:000261998300052 ER PT J AU Park, JW Neve, RA Szollosi, J Benz, CC AF Park, John W. Neve, Richard A. Szollosi, Janos Benz, Christopher C. TI Unraveling the Biologic and Clinical Complexities of HER2 SO CLINICAL BREAST CANCER LA English DT Review DE ErbB2; Lapatinib; Metastatic disease; Monoclonal antibody; Trastuzumab ID METASTATIC BREAST-CANCER; EPIDERMAL-GROWTH-FACTOR; NEU DIFFERENTIATION FACTOR; ACTIVATED PROTEIN-KINASE; ERBB SIGNALING NETWORK; TUMOR-CELL-LINES; FACTOR-RECEPTOR; ADJUVANT CHEMOTHERAPY; TRASTUZUMAB HERCEPTIN; MONOCLONAL-ANTIBODY AB It has been over 20 years since the discovery of the human epidermal growth factor receptor 2 (HER2), a tyrosine kinase receptor that is a patent oncoprotein in breast and other cancers and has become an opportune forget for therapy. HER2 plays a critical role in normal development, forming homodimers or heterodimers with other HER family members and triggering downstream signaling cascades controlling proliferation, cell survival, and apoptosis. However, amplification of the HER2 gene in cancer cells results in overexpression of HER2 receptors on the cell surface, leading to excessive and dysregulated signaling. HER2-driven signaling also upregulates transcription factors that act on the HER2 promoter, increasing its expression. In breast cancer, HER2 is gene amplified in 20%-25% of primary tumors and is associated with a more aggressive phenotype and poorer prognosis. The key role HER2 plays In tumorigenesis makes it an ideal target for therapy. Trastuzumab, a monoclonal antibody against HER2, Inhibits downstream signaling and has proven to be effective against HER2-overexpressing metastatic breast cancer both as a single agent and in combination with chemotherapy. Seminal clinical trial data also show that the use of adjuvant trastuzumab in combination with chemotherapy or as a single agent after chemotherapy significantly increases disease-free and overall survival. Lapatinib, a dual tyrosine kinase inhibitor against HER1 and HER2, has been approved in combination with capecitabine for HER2-overexpressing advanced or metastatic breast cancer, which has progressed following previous anthracycline, taxane, and trastuzumab therapy. Other HER2-targeting strategies are also under active investigation. C1 [Park, John W.; Neve, Richard A.; Benz, Christopher C.] Univ Calif San Francisco, Ctr Comprehens Canc, San Francisco, CA 94115 USA. [Neve, Richard A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Szollosi, Janos] Univ Debrecen, Dept Biophys & Cell Biol, Cell Biophys Res Grp, Res Ctr Mol Med, H-4012 Debrecen, Hungary. [Benz, Christopher C.] Buck Inst Age Res, Novato, CA USA. RP Park, JW (reprint author), Univ Calif San Francisco, Ctr Comprehens Canc, 1600 Divisadero St,2nd Floor, San Francisco, CA 94115 USA. EM jpark@cc.ucsf.edu FU National Cancer Institute [NIH P50 CA 58207, NIH U54 CA 90788, U01 CA 111234] FX Support for third-party writing assistance for this article was provided by Genentech, Inc. Grant support was provided by the National Cancer Institute (NIH P50 CA 58207, NIH U54 CA 90788, and U01 CA 111234). NR 138 TC 46 Z9 50 U1 0 U2 6 PU CIG MEDIA GROUP, LP PI DALLAS PA 3500 MAPLE AVENUE, STE 750, DALLAS, TX 75219-3931 USA SN 1526-8209 EI 1938-0666 J9 CLIN BREAST CANCER JI Clin. Breast Cancer PD OCT PY 2008 VL 8 IS 5 BP 392 EP 401 DI 10.3816/CBC.2008.n.047 PG 10 WC Oncology SC Oncology GA 365KW UT WOS:000260406300002 PM 18952552 ER PT J AU Blick, T Widodo, E Hugo, H Waltham, M Lenburg, ME Neve, RM Thompson, EW AF Blick, T. Widodo, E. Hugo, H. Waltham, M. Lenburg, M. E. Neve, R. M. Thompson, E. W. TI Epithelial mesenchymal transition traits in human breast cancer cell lines SO CLINICAL & EXPERIMENTAL METASTASIS LA English DT Article DE EMT; basal; luminal; mesenchymal; breast cancer; breast cancer stem cells ID E-CADHERIN EXPRESSION; BASEMENT-MEMBRANE INVASIVENESS; TRANSCRIPTION FACTORS SNAIL; FACTOR RECEPTOR INHIBITION; ZINC-FINGER PROTEIN; NF-KAPPA-B; GENE-EXPRESSION; TUMOR PROGRESSION; CARCINOMA PROGRESSION; COLORECTAL-CANCER AB Epithelial mesenchymal transition (EMT) has long been associated with breast cancer cell invasiveness and evidence of EMT processes in clinical samples is growing rapidly. Genome-wide transcriptional profiling of increasingly larger numbers of human breast cancer (HBC) cell lines have confirmed the existence of a subgroup of cell lines (termed Basal B/Mesenchymal) with enhanced invasive properties and a predominantly mesenchymal gene expression signature, distinct from subgroups with predominantly luminal (termed Luminal) or mixed basal/luminal (termed Basal A) features (Neve et al Cancer Cell 2006). Studies providing molecular and cellular analyses of EMT features in these cell lines are summarised, and the expression levels of EMT-associated factors in these cell lines are analysed. Recent clinical studies supporting the presence of EMT-like changes in vivo are summarised. Human breast cancer cell lines with mesenchymal properties continue to hold out the promise of directing us towards key mechanisms at play in the metastatic dissemination of breast cancer. C1 [Blick, T.; Waltham, M.; Thompson, E. W.] St Vincents Inst, VBCRC Invas & Metastasis Unit, Fitzroy, Vic 3065, Australia. [Widodo, E.; Thompson, E. W.] Univ Melbourne, St Vincent Hosp, Dept Surg, Fitzroy, VIC 3065, Australia. [Widodo, E.] Brawijaya Univ, Fac Med, E Java 65141, Indonesia. [Hugo, H.] Royal Childrens Hosp, Murdoch Childrens Res Inst, Embryol Lab, Parkville, VIC 3052, Australia. [Lenburg, M. E.] Boston Univ, Sch Med, Dept Genet & Genom, Boston, MA 02118 USA. [Lenburg, M. E.; Neve, R. M.] Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94270 USA. RP Thompson, EW (reprint author), St Vincents Inst, VBCRC Invas & Metastasis Unit, 9 Princes St, Fitzroy, Vic 3065, Australia. EM rik@medstv.unimelb.edu.au RI Waltham, Mark/A-1728-2009; Lenburg, Marc/B-8027-2008; Thompson, Erik/A-1425-2009; OI Lenburg, Marc/0000-0002-5760-4708; Thompson, Erik/0000-0002-9723-4924; Hugo, Honor/0000-0001-9436-5286 NR 99 TC 178 Z9 184 U1 2 U2 11 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0262-0898 J9 CLIN EXP METASTAS JI Clin. Exp. Metastasis PD OCT PY 2008 VL 25 IS 6 BP 629 EP 642 DI 10.1007/s10585-008-9170-6 PG 14 WC Oncology SC Oncology GA 327HI UT WOS:000257719800006 PM 18461285 ER PT J AU Gerstle, W Silling, S Read, D Tewary, V Lehoucq, R AF Gerstle, Walter Silling, Stewart Read, David Tewary, Vinod Lehoucq, Richard TI Peridynamic Simulation of Electromigration SO CMC-COMPUTERS MATERIALS & CONTINUA LA English DT Article DE computational Simulation; cracks; diffusion; electromigration; hillocks; metallic thin films; microelectromechanical systems; multi-physics; multi-scale; peridynamic; voids ID ELECTROMECHANICALLY-INDUCED FAILURE; METALLIC THIN-FILMS; GREENS-FUNCTION; CREEP FLOW; LINES; CU; DIFFUSION; INTERCONNECTIONS; NANOSTRUCTURES; FORCES AB A theoretical framework, based upon the peridynamic model, is presented for analytical and computational Simulation of electromigration. The framework allows four Coupled physical processes to be modeled simultaneously: mechanical deformation, heat transfer, electrical potential distribution, and vacancy diffusion. The dynamics of void and crack formation, and hillock and whisker growth can potentially be modeled. The framework can potentially be applied at several modeling scales: atomistic, crystallite, multiple crystallite, and macro. The conceptual simplicity of the model promises to permit many phenomena observed in microchips, including electromigration, thermo-mechanical crack formation, and fatigue crack formation, to be analyzed in a systematic and unified manner. Interfacial behavior between dissimilar crystallites and materials can also be handled in a natural way. A computational implementation of the theoretical framework is proposed, and a one-dimensional example is presented. C1 [Gerstle, Walter] Univ New Mexico, Albuquerque, NM 87131 USA. [Silling, Stewart; Lehoucq, Richard] Sandia Natl Labs, Livermore, CA 94550 USA. [Read, David; Tewary, Vinod] Natl Inst Stand & Technol, Gaithersburg, MD 20899 USA. RP Gerstle, W (reprint author), Univ New Mexico, Albuquerque, NM 87131 USA. FU University of New Mexico; National Institute of Standards and Technology Office of Microelectronics Programs; Sandia National Laboratories FX Financial support for the first author during his sabbatical leave from the University of New Mexico, the National Institute of Standards and Technology Office of Microelectronics Programs, and Sandia National Laboratories is gratefully acknowledged. NR 36 TC 15 Z9 15 U1 0 U2 7 PU TECH SCIENCE PRESS PI NORCROSS PA 6825 JIMMY CARTER BLVD, STE 1850, NORCROSS, GA 30071 USA SN 1546-2218 J9 CMC-COMPUT MATER CON JI CMC-Comput. Mat. Contin. PD OCT PY 2008 VL 8 IS 2 BP 75 EP 92 PG 18 WC Engineering, Multidisciplinary; Materials Science, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Materials Science; Mathematics GA 372QA UT WOS:000260915000003 ER PT J AU Drozda, TG Wang, GH Sankaran, V Mayo, JR Oefelein, JC Barlow, RS AF Drozda, Tomasz G. Wang, Guanghua Sankaran, Vaidyanathan Mayo, Jackson R. Oefelein, Joseph C. Barlow, Robert S. TI Scalar filtered mass density functions in nonpremixed turbulent jet flames SO COMBUSTION AND FLAME LA English DT Article DE Filtered density function; Turbulent jet flame; Raman/Rayleigh/LIF ID LARGE-EDDY SIMULATION; CONDITIONAL MOMENT CLOSURE; REACTING FLOWS; LENGTH SCALES; DISSIPATIVE STRUCTURES; PREMIXED FLAMES; SHEAR FLOWS; COMBUSTION; FORMULATION; DIFFUSION AB Filtered mass density functions (FMDFs) of mixture fraction and temperature are studied by analyzing experimental data obtained from one-dimensional Raman/Rayleigh/LIF measurements of nonpremixed CH4/H-2/N-2 turbulent jet flames at Reynolds numbers of 15,200 and 22,800 (DLR-A and -B). The experimentally determined FMDFs are conditioned on the Favre filtered values of the mixture fraction and its variance. Filter widths are selected as fixed multiples of the experimentally determined dissipation length scale at each measurement location. One-dimensional filtering using a top-hat filter is performed to obtain the filtered variables used for condition. The FMDFs are obtained by binning the mass and filter kernel weighted samples. Emphasis is placed on the shapes of the FMDFs in the fuel-rich, fuel-lean, and stoichiometric intervals for the Favre filtered mixture fraction, and low, medium, and high values for the Favre filtered mixture fraction variance. It is found that the FMDFs of mixture fraction are unimodal in samples with low mixture fraction variance and bimodal in samples with high variance. However, the FMDFs Of Mixture fraction at the smallest filter size studied are unimodal for all values of the variance. The FMDFs of temperature are unimodal in samples with low mixture fraction variance, and either unimodal or bimodal, depending on the mixture fraction mean, in samples with high variance. The influence of the filter size and the jet Reynolds number on the FMDFs is also considered. (c) 2008 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Drozda, Tomasz G.; Wang, Guanghua; Sankaran, Vaidyanathan; Mayo, Jackson R.; Oefelein, Joseph C.; Barlow, Robert S.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Drozda, TG (reprint author), Sandia Natl Labs, Combust Res Facil, POB 969,MS 9051, Livermore, CA 94551 USA. EM tdrozda@sandia.gov OI Wang, Guanghua/0000-0002-6313-663X FU U.S. Department of Energy; Office of Basic Energy Sciences; Division of Chemical Sciences; Geosciences and Biosciences; Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy [DE-AC04-94AL85000] FX The U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences supported this work. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy under contract DE-AC04-94AL85000. NR 48 TC 13 Z9 13 U1 0 U2 8 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 OCT PY 2008 VL 155 IS 1-2 BP 54 EP 69 DI 10.1016/j.combustflame.2008.06.012 PG 16 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 364VB UT WOS:000260362400005 ER PT J AU Lignell, DO Chen, JH Smith, PJ AF Lignell, David O. Chen, Jacqueline H. Smith, Philip J. TI Three-dimensional direct numerical simulation of soot formation and transport in a temporally evolving nonpremixed ethylene jet flame SO COMBUSTION AND FLAME LA English DT Article DE Soot; Direct numerical simulation; Nonpremixed; Turbulent combustion; Ethylene; Jet flame ID TURBULENT-DIFFUSION FLAMES; REACTION-MECHANISM; SHEAR-LAYER; POOL FIRES; SCALAR; COMBUSTION; CHEMISTRY; DYNAMICS; SURFACES; FLOWS AB Three-dimensional direct numerical simulation of soot formation with complex chemistry is presented. The simulation consists of a temporally evolving, planar, nonpremixed ethylene jet flame with a validated, 19-species reduced mechanism. A four-step, three-moment, semiempirical soot model is employed. Previous two-dimensional decaying turbulence simulations have shown the importance of multidimensional flame dynamical effects on soot concentration [D.O. Lionell, J.H. Chen, P.J. Smith, T. Lu, C.K. Law, Combust. Flame 151 (1-2) (2007) 2-28]. It was shown that flame curvature strongly impacts the diffusive motion of the flame relative to soot (which is essentially convected with the flow), resulting in soot being differentially transported toward or away from the flame zone. The proximity of the soot to the flame directly influences soot reactivity and radiative properties. Here, the analysis is extended to three dimensions in a temporal jet configuration with mean shear. Results show that similar local flame dynamic effects of strain and curvature are important, but that enhanced turbulent mixing of fuel and oxidizer streams has a first-order effect on transport of soot toward flame zones. Soot modeling in turbulent flames is a challenge due to the complexity of soot formation and transport processes and the lack of detailed experimental soot-flame-flow structural data. The present direct numerical simulation provides the first step toward providing such data. Published by Elsevier Inc. on behalf of The Combustion Institute. C1 [Lignell, David O.; Chen, Jacqueline H.] Sandia Natl Labs, Combust Res Facil, Reacting Flow Res Dept, Livermore, CA 94551 USA. [Lignell, David O.; Smith, Philip J.] Univ Utah, Dept Chem Engn, Salt Lake City, UT 84098 USA. RP Lignell, DO (reprint author), Sandia Natl Labs, Combust Res Facil, Reacting Flow Res Dept, Livermore, CA 94551 USA. EM david@crsim.utah.edu FU U.S. Department of Energy; Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; Sandia National Laboratories; Sandia Corporation, a Lockheed Martin Company; United States Department of Energy [DE-AC04-94-AL85000] FX This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. Simulations were performed at Sandia National Laboratories on the Redstorm supercomputer. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94-AL85000. NR 44 TC 40 Z9 40 U1 0 U2 21 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD OCT PY 2008 VL 155 IS 1-2 BP 316 EP 333 DI 10.1016/j.combustflame.2008.05.020 PG 18 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 364VB UT WOS:000260362400022 ER PT J AU Barrios, LA Aguila, D Mellat, S Roubeau, O Teat, SJ Gamez, P Aromi, G AF Barrios, Leoni A. Aguila, David Mellat, Stephane Roubeau, Olivier Teat, Simon J. Gamez, Patrick Aromi, Guillem TI Synthesis and properties of a novel linear [Ni4L2(py)(6)] cluster: Designed ligand-controlled topology of the metals SO COMPTES RENDUS CHIMIE LA English DT Article DE Ligand design; Poly-beta-diketones; Coordination clusters; Magnetic anisotropy; Antiferromagnetism; Metallo-supramolecular chemistry ID BETA-DIKETONE LIGAND; MAGNETIC-PROPERTIES; COMPLEXES; ASSEMBLIES; CHEMISTRY; SYSTEMS AB A polydentate ligand, H4L, based on adjacent 1,3-diketone and phenol functions has been used in combination with a strong base for the assembly of four Ni(II) ions into molecular species, [Ni4L2(py)(6)] (1), featuring a targeted linear [Ni-Ni center dot center dot center dot Ni-Ni] sequence. Weak antiferromagnetic exchange is observed within pairs of closest Ni(II) centers, of J = -5.04 cm(-1) (in the H = -2JS(1)S(2) convention). An unusual combination of coordination geometries (square pyramidal + octahedral) is observed within each [Ni-2] moiety in the molecule, attributed to the geometrical constraints imposed by L4-. To cite this article: LeoniA. Barrios et al., C R. Chitnie 11 (2008). (C) 2008 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved. C1 [Barrios, Leoni A.; Aguila, David; Mellat, Stephane; Aromi, Guillem] Univ Barcelona, Dept Quim Inorgan, E-08028 Barcelona, Spain. [Roubeau, Olivier] Univ Bordeaux 1, Ctr Rech Paul Pascal, CNRS, F-33600 Pessac, France. [Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Gamez, Patrick] Leiden Univ, Leiden Inst Chem, NL-2300 RA Leiden, Netherlands. RP Aromi, G (reprint author), Univ Barcelona, Dept Quim Inorgan, Diagonal 647, E-08028 Barcelona, Spain. EM guillem.aromi@qi.ub.es RI Roubeau, Olivier/A-6839-2010; Gamez, Patrick/B-3610-2012; Aromi, Guillem/I-2483-2015; BARRIOS MORENO, LEONI ALEJANDRA/E-5413-2017 OI Roubeau, Olivier/0000-0003-2095-5843; Gamez, Patrick/0000-0003-2602-9525; Aromi, Guillem/0000-0002-0997-9484; BARRIOS MORENO, LEONI ALEJANDRA/0000-0001-7075-9950 FU Director, Office of Science, Office of Basic Energy Sciences; U.S. Department of Energy [DE-AC02-05CH11231] FX We acknowledge the Spanish Ministry of Science and Education (GA), the Leiden University Study Group (Werkgroep Fundamenteel Materialen-Onderzoek, WFMO) (PG). The Advanced Light Source (SJT) is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 19 TC 10 Z9 10 U1 0 U2 5 PU ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER PI PARIS PA 23 RUE LINOIS, 75724 PARIS, FRANCE SN 1631-0748 J9 CR CHIM JI C. R. Chim. PD OCT PY 2008 VL 11 IS 10 BP 1117 EP 1120 DI 10.1016/j.crci.2008.06.014 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 384HR UT WOS:000261736400004 ER PT J AU Maitre, D Mastrolia, P AF Maitre, D. Mastrolia, P. TI S@M, a mathematica implementation of the spinor-helicity formalism SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Review DE Spinor-helicity formalism; Mathematica ID ONE-LOOP AMPLITUDES; TO-LEADING ORDER; NLO QCD CORRECTIONS; SUPER-YANG-MILLS; GAUGE-THEORY; SCATTERING-AMPLITUDES; MULTIPLE BREMSSTRAHLUNG; ANALYTIC PROPERTIES; HADRON-COLLISIONS; FEYNMAN DIAGRAMS AB In this paper we present the package S@M (Spinors@Mathematica) which implements the spinor-helicity formalism in Mathematica. The package allows the use of complex-spinor algebra along with the multipurpose features of Mathematica. The package defines the spinor objects with their basic properties along with functions to manipulate them. It also offers the possibility of evaluating the spinorial objects numerically at every computational step. The package is therefore well suited to be used in the context of on-shell technology, in particular for the evaluation of scattering amplitudes at tree- and loop-level. Program summary Program title: S@M Catalogue identifier. AEBF_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEBF-v1-0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 14 404 No. of bytes in distributed program, including test data, etc.: 77 536 Distribution format: tar.gz Programming language: Mathematica Computer: All computers running Mathematica Operating system: Any system running Mathematica Classification: 4.4, 5, 11.1 Nature of problem: Implementation of the spinor-helicity formalism Solution method: Mathematica implementation Running time: The notebooks provided with the package take only a few seconds to run. (C) 2008 Elsevier B.V. All rights reserved. C1 [Maitre, D.; Mastrolia, P.] Univ Zurich, Inst Theoret Phys, CH-8057 Zurich, Switzerland. [Maitre, D.] Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Maitre, D (reprint author), Univ Zurich, Inst Theoret Phys, Winterthurerstr 190, CH-8057 Zurich, Switzerland. EM maitreda@slac.stanford.edu FU Swiss National Science Foundation (SNF) [200020-109162, PBZH2-117028]; US Department of Energy [DE-AC02-76SF00515]; Marie-Curie-EIF [MEIF-CT-2006-0214178] FX We wish to thank Zvi Bern, John Conley, Darren Forde, Thomas Gehrmann, Harald Ita, David Kosower, My Phuong Le and Tornmer Wizanski for useful comments on the manuscript and for experimenting with un-mature versions of the package. We thank the Galileo Galilei Institute for Theoretical Physics for the hospitality and the INFN for partial support during the completion of this work. The work of D. M. was supported by the Swiss National Science Foundation (SNF) under contracts 200020-109162 and PBZH2-117028 and by the US Department of Energy under contract DE-AC02-76SF00515. The work of P.M. was supported by the Marie-Curie-EIF under the contract MEIF-CT-2006-0214178. NR 137 TC 37 Z9 37 U1 0 U2 1 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 OCT 1 PY 2008 VL 179 IS 7 BP 501 EP 534 DI 10.1016/j.cpc.2008.05.002 PG 34 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 358VL UT WOS:000259945500007 ER PT J AU Talekar, A Chandra, D Chellappa, R Daemen, J Tamura, N Kunz, M AF Talekar, Anjali Chandra, Dhanesh Chellappa, Raja Daemen, Jaak Tamura, Nobumichi Kunz, Martin TI Oxidation kinetics of high strength low alloy steels at elevated temperatures SO CORROSION SCIENCE LA English DT Article DE HSLA steels; Thermogravimetry; Activation Energy; High temperature oxidation; Oxidation Kinetics ID LOW-CARBON; DEGREES C; IRON; METALS; OXYGEN; PRODUCTS; SCALES; FILMS AB High strength low alloy (HSLA) steels are candidate Rockbolt materials for use as underground roof supports at Yucca Mountain nuclear waste repository. Oxidation kinetics of International Rollforms Split Set Friction Rock Stabilizers (SS46), and Swellex Mn24 steels have been determined by temperature modulated thermogravimetry at temperatures ranging between 600 and 900 degrees C in pure oxygen atmosphere for 100 hr. The imposed sinusoidal temperature modulations (+/- 5 degrees C for a period of I cycle per 200 s) on the isothermal temperature did not have any noticeable effect on the weight gain characteristics during oxidation. Weight gain data on the steels indicate two distinct regions with different oxidation profiles, where a definite change in rates of oxidation is observed: a first oxidation regime where the steels followed a rate law y = kt(0.40-0.63) (changing index of rate law depending upon steel and temperature) and a second stage oxidation regime that follows the parabolic law. The results of characterization of the oxide films using SEM/EDAX, X-ray diffraction and Synchrotron white beam X-ray microdiffraction are presented. The oxidation data of the steels presented here is expected to be useful for characterizing those steels for use in underground rock bolt system and as roof support for the DOE proposed Yucca Mountain Nuclear Waste Repository. To the best of our knowledge this is the first time thermogravimetric studies of this kind have been done on these steels. (c) 2008 Elsevier Ltd. All rights reserved. C1 [Talekar, Anjali; Chandra, Dhanesh] Univ Nevada, Dept Chem & Met Engn, Reno, NV 89557 USA. [Chellappa, Raja] Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA. [Daemen, Jaak] Univ Nevada, Min Engn Dept, Reno, NV 89557 USA. [Tamura, Nobumichi; Kunz, Martin] Lawrence Berkeley Natl Labs, Adv Light Source, Berkeley, CA 94720 USA. RP Chandra, D (reprint author), Univ Nevada, Dept Chem & Met Engn, MS 388,1664 N Virginia St, Reno, NV 89557 USA. EM dchandra@unr.edu RI Kunz, Martin/K-4491-2012 OI Kunz, Martin/0000-0001-9769-9900 FU U.S. Department of Energy (DOE) [DE-AC02-05CH 11231]; Nevada System of Higher Education (NSHE); DOE-UCCSN [DE-FC-28-03RW12232] FX The authors wish to thank the Office of Civil Radioactive Waste management, of the U.S. Department of Energy (DOE) for funding this project under the cooperative agreement with the Nevada System of Higher Education (NSHE). (DOE-UCCSN Cooperative Agreement No.DE-FC-28-03RW12232). The Advanced Light Source (ALS) is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH 11231 at the Ernest Orlando Lawrence Berkeley National Laboratory (LBNL). NR 46 TC 10 Z9 10 U1 2 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0010-938X J9 CORROS SCI JI Corrosion Sci. PD OCT PY 2008 VL 50 IS 10 BP 2804 EP 2815 DI 10.1016/j.corsci.2008.08.008 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 370AS UT WOS:000260735700008 ER PT J AU Tringe, SG Hugenholtz, P AF Tringe, Susannah G. Hugenholtz, Philip TI A renaissance for the pioneering 16S rRNA gene SO CURRENT OPINION IN MICROBIOLOGY LA English DT Review ID MICROBIAL COMMUNITIES; PSEUDOMONAS-AERUGINOSA; BACTERIAL DIVERSITY; GUT MICROBES; BIOSPHERE; ECOLOGY; ENVIRONMENT; EVOLUTION; DATABASE; OBESITY AB Culture-independent molecular surveys using the 16S rRNA gene have become a mainstay for characterizing microbial community structure over the past quarter century. More recently this approach has been overshadowed by metagenomics, which provides a global overview of a community's functional potential rather than just an inventory of its inhabitants. However, the pioneering 16S rRNA gene is making a comeback in its own right thanks to a number of methodological advancements including higher resolution (more sequences), analysis of multiple related samples (e.g. spatial and temporal series) and improved metadata, and use of metadata. The standard conclusion that microbial ecosystems are remarkably complex and diverse is now being replaced by detailed insights into microbial ecology and evolution based only on this one historically important marker gene. C1 [Tringe, Susannah G.; Hugenholtz, Philip] DOE Joint Genome Inst, Walnut Creek, CA 94598 USA. RP Tringe, SG (reprint author), DOE Joint Genome Inst, 2800 Mitchell Dr, Walnut Creek, CA 94598 USA. EM sgtringe@lbl.gov; phugenholtz@lbl.gov RI Ducey, Thomas/A-6493-2011; Hugenholtz, Philip/G-9608-2011; OI Tringe, Susannah/0000-0001-6479-8427; hugenholtz, philip/0000-0001-5386-7925 FU US Department of Energy's Office of Science, Biological and Environmental Research Program; University of California, Lawrence Berkeley National Laboratory [DF-AC02-05CH11231]; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory [DE-AC02-06NA25396] FX We thank Norman Pace for feedback on the manuscript. 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. DF-AC02-05CH11231, Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344, and Los Alamos National Laboratory under contract No. DE-AC02-06NA25396. NR 41 TC 167 Z9 179 U1 3 U2 71 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 1369-5274 J9 CURR OPIN MICROBIOL JI Curr. Opin. Microbiol. PD OCT PY 2008 VL 11 IS 5 BP 442 EP 446 DI 10.1016/j.mib.2008.09.011 PG 5 WC Microbiology SC Microbiology GA 377JG UT WOS:000261246900011 PM 18817891 ER PT J AU Zeevaart, JAD AF Zeevaart, Jan A. D. TI Leaf-produced floral signals SO CURRENT OPINION IN PLANT BIOLOGY LA English DT Review ID FLOWERING-LOCUS-T; FT PROTEIN; INDUCTIVE SIGNALS; COMPANION CELLS; SHOOT APEX; ARABIDOPSIS; VERNALIZATION; GENE; PHLOEM; INTEGRATION AB Florigen is the hypothetical leaf-produced signal that induces floral initiation at the shoot apex. The nature of florigen has remained elusive for more than 70 years. But recent progress toward understanding the regulatory network for flowering in Arabidopsis has led to the suggestion that FLOWERING LOCUS T(FT) or its product is the mobile flower-inducing signal that moves from an induced leaf through the phloem to the shoot apex. In the past year, physical and chemical evidence has shown that it is FT protein, and not FT mRNA, that moves from induced leaves to the apical meristem. These results have established that FT is the main, if not the only, component of the universal florigen. C1 [Zeevaart, Jan A. D.] Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. [Zeevaart, Jan A. D.] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. RP Zeevaart, JAD (reprint author), Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. EM zeevaart@msu.edu FU US Department of Energy [DE-FG02-91ER20021] FX This review is dedicated to the memory of Anton Lang (1913-1996), who was a passionate advocate of the florigen hypothesis. My apologies to colleagues Whose work has not been cited because of space constraints. Preparation of this review was supported by the US Department of Energy (grant number DE-FG02-91ER20021). NR 54 TC 88 Z9 96 U1 1 U2 24 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 1369-5266 J9 CURR OPIN PLANT BIOL JI Curr. Opin. Plant Biol. PD OCT PY 2008 VL 11 IS 5 BP 541 EP 547 DI 10.1016/j.pbi.2008.06.009 PG 7 WC Plant Sciences SC Plant Sciences GA 356QB UT WOS:000259791600012 PM 18691931 ER PT J AU Blakeley, MP Langan, P Niimura, N Podjarny, A AF Blakeley, Matthew P. Langan, Paul Niimura, Nobuo Podjarny, Alberto TI Neutron crystallography: opportunities, challenges, and limitations SO CURRENT OPINION IN STRUCTURAL BIOLOGY LA English DT Article ID OF-FLIGHT NEUTRON; D-XYLOSE ISOMERASE; SINGLE-CRYSTAL DIFFRACTOMETER; X-RAY-DIFFRACTION; B-DNA DECAMER; PROTEIN CRYSTALLOGRAPHY; PYROCOCCUS-FURIOSUS; DIISOPROPYL FLUOROPHOSPHATASE; BIOLOGICAL MACROMOLECULES; HUMAN DEOXYHEMOGLOBIN AB Neutron crystallography has had an important, but relatively small role in structural biology over the years. In this review of recently determined neutron structures, a theme emerges of a field currently expanding beyond its traditional boundaries, to address larger and more complex problems, with smaller samples and shorter data collection times, and employing more sophisticated structure determination and refinement methods. The origin of this transformation can be found in a number of advances including first, the development of neutron image-plates and quasi-Laue methods at nuclear reactor neutron sources and the development of time-of-flight Laue methods and electronic detectors at spallation neutron sources; second, new facilities and methods for sample perdeuteration and crystallization; third, new approaches and computational tools for structure determination. C1 [Blakeley, Matthew P.] ILL, F-38042 Grenoble, France. [Langan, Paul] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Langan, Paul] Univ Toledo, Dept Chem, Toledo, OH 43606 USA. [Niimura, Nobuo] Ibaraki Univ, Inst Appl Beam Sci, Grad Sch Sci & Engn, Ibaraki 3168511, Japan. [Podjarny, Alberto] IGBMC, F-67404 Strasbourg, France. RP Blakeley, MP (reprint author), ILL, 6 Rue Jules Horowitz,BP 156, F-38042 Grenoble, France. EM blakeleym@ill.fr; langan_paul@lani.gov; niimura@mx.ibaraki.ac.jp; podjarny@titus.u-strasbg.fr RI Langan, Paul/N-5237-2015; Blakeley, Matthew/G-7984-2015; OI Langan, Paul/0000-0002-0247-3122; Blakeley, Matthew/0000-0002-6412-4358; Podjarny, Alberto/0000-0002-7685-1077 FU National Institute of General Medical Science; National Institutes of Health [1R01GM071939-01]; LANL LDRD [20070131ER, 20080001DR]; Office of Biological and Environmental Research of the Department of Energy; Human Frontiers Science Program; National de la Recherche Scientifique (CNRS); Institut National de la Sante et de la Recherche Medicale; Hopital Universitaire de Strasbourg; MEXT of Japan; Human Frontiers Science Program [RGP0021/2006-C]; European Commission [011995 CISB] FX PL was supported by grants from the National Institute of General Medical Science of the National Institutes of Health (1R01GM071939-01), LANL LDRD (20070131ER and 20080001DR), and by the Office of Biological and Environmental Research of the Department of Energy. ADP was supported by the Human Frontiers Science Program, by the Centre National de la Recherche Scientifique (CNRS), by the Institut National de la Sante et de la Recherche Medicale, and the Hopital Universitaire de Strasbourg (H.U.S). NN was supported partly by a Grant-in-Aid for Scientific Research from the MEXT of Japan. NN and ADP were supported by the Human Frontiers Science Program (RGP0021/2006-C). The construction of the LADI-III diffractometer was financed by a grant from the European Commission (Grant No. 011995 CISB (RICN)). NR 51 TC 63 Z9 66 U1 1 U2 21 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0959-440X J9 CURR OPIN STRUC BIOL JI Curr. Opin. Struct. Biol. PD OCT PY 2008 VL 18 IS 5 BP 593 EP 600 DI 10.1016/j.sbi.2008.06.009 PG 8 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 371HB UT WOS:000260821300011 PM 18656544 ER PT J AU Tsuruta, H Irving, T AF Tsuruta, H. Irving, Tc TI Experimental approaches for solution X-ray scattering and fiber diffraction SO CURRENT OPINION IN STRUCTURAL BIOLOGY LA English DT Article ID INSECT FLIGHT-MUSCLE; STRUCTURAL-CHARACTERIZATION; NEUTRON-SCATTERING; MOLECULAR-DYNAMICS; IN-SITU; PROTEINS; COLLAGEN; ASSEMBLIES; PEPTIDES; KINETICS AB X-ray scattering and diffraction from non-crystalline systems have gained renewed interest in recent years, as focus shifts from the structural chemistry information gained by high-resolution studies to the context of structural physiology at larger length scales. Such techniques permit the study of isolated macromolecules as well as highly organized macromolecular assemblies as a whole under near-physiological conditions. Time-resolved approaches, made possible by advanced synchrotron instrumentation, add a crucial dimension to many of these investigations. This article reviews experimental approaches in non-crystalline X-ray scattering and diffraction that may be used to illuminate important scientific questions such as protein/nucleic acid folding and structure-function relationships in large macromolecular assemblies. C1 [Tsuruta, H.] Stanford Univ, Stanford Synchrotron Radiat Lab, SLAC, Menlo Pk, CA 94025 USA. [Irving, Tc] IIT, CSRRI, Dept Biol Chem & Phys Sci, Chicago, IL 60616 USA. RP Tsuruta, H (reprint author), Stanford Univ, Stanford Synchrotron Radiat Lab, SLAC, 2575 Sand Hill Rd,MS69, Menlo Pk, CA 94025 USA. EM tsuruta@stanford.edu; irving@iit.edu RI ID, BioCAT/D-2459-2012 FU National Institutes of Health; National Center for Research Resources, Biomedical Technology Program [P41 RR001209, RR08630]; SSRL Structural Molecular Biology Program; SSRL SMB Program; US Department of Energy; Office of Biological and Environmental Research; DOE FX The authors acknowledge the National Institutes of Health, National Center for Research Resources, Biomedical Technology Program Grants P41 RR001209, and RR08630 for the support of the SSRL Structural Molecular Biology Program and the IIT Biophysics Collaborative Access Team at the APS, respectively. The SSRL SMB Program is additionally supported by the US Department of Energy, Office of Biological and Environmental Research. The SSRL and APS are supported by DOE, Basic Energy Sciences. The content is solely the responsibility of the authors and does not necessarily reflect the official views of NCRR or NIH. NR 48 TC 24 Z9 24 U1 0 U2 5 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0959-440X J9 CURR OPIN STRUC BIOL JI Curr. Opin. Struct. Biol. PD OCT PY 2008 VL 18 IS 5 BP 601 EP 608 DI 10.1016/j.sbi.2008.08.002 PG 8 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 371HB UT WOS:000260821300012 PM 18801437 ER PT J AU Williams, GJ Hanssen, E Peele, AG Pfeifer, MA Clark, J Abbey, B Cadenazzi, G de Jonge, MD Vogt, S Tilley, L Nugent, KA AF Williams, Garth J. Hanssen, Eric Peele, Andrew G. Pfeifer, Mark A. Clark, Jesse Abbey, Brian Cadenazzi, Guido de Jonge, Martin D. Vogt, Stefan Tilley, Leann Nugent, Keith A. TI High-resolution X-ray imaging of Plasmodium falciparum-infected red blood cells SO CYTOMETRY PART A LA English DT Article DE Plasmodium falciparum; malaria parasite-infected red blood cells; Fresnel coherent diffraction imaging; X-ray microscopy ID MALARIA PARASITES; TOMOGRAPHY; MICROSCOPY; ERYTHROCYTES; DIFFRACTION; ULTRASTRUCTURE; RECONSTRUCTION; ALGORITHMS; MICROPROBE; SPECIMENS AB Methods for imaging cellular architecture and ultimately macromolecular complexes and individual proteins, within a cellular environment, are an important goal for cell and molecular biology. Coherent diffractive imaging (CDI) is a method of lensless imaging that call be applied to any individual finite object. A diffraction pattern from a single biological structure is recorded and ail iterative Fourier transform between real space and reciprocal space is used to reconstruct information about the architecture of the sample to high resolution. As a test system for cellular imaging, we have applied CDI to an important human pathogen, the malaria parasite, Plasmodium falciparum. We have employed a novel CDI approach, known as Fresnel CDI which uses illumination with a curved incident wavefront to image red blood cells infected with malaria parasites. We have examined the intrinsic X-ray absorption contrast of these cells and compared them with cells contrasted with heavy metal stains or immunogold labeling. We compare CDI images with data obtained from the same cells using scanning electron microscopy, light microscopy, and scanning X-ray fluorescence microscopy. We show that CDI can offer new information both within and at the surface of complex biological specimens at a spatial resolution of better than 40 urn. and we demonstrate all imaging modality that conveniently combines scanning X-ray fluorescence microscopy with CDI. The data provide independent confirmation of the validity of the coherent diffractive image and demonstrate that CDI offers the potential to become ail important and reliable new high-resolution imaging modality for cell biology. CDI can detect features at high resolution within unsectioned cells. (C) 2008 International Society for Advancement of Cytometry. C1 [Hanssen, Eric; Peele, Andrew G.; Pfeifer, Mark A.; Clark, Jesse; Tilley, Leann] La Trobe Univ, ARC Ctr Excellence Coherent Xray Sci, Bundoora, Vic 3086, Australia. [Hanssen, Eric; Tilley, Leann] La Trobe Univ, Sch Biochem, Bundoora, Vic 3086, Australia. [Williams, Garth J.; Abbey, Brian; Nugent, Keith A.] Univ Melbourne, ARC Ctr Excellence Coherent Xray Sci, Melbourne, Vic 3010, Australia. [Williams, Garth J.; Abbey, Brian; Nugent, Keith A.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Peele, Andrew G.; Pfeifer, Mark A.; Clark, Jesse] La Trobe Univ, Sch Phys, Bundoora, Vic 3086, Australia. [Cadenazzi, Guido] Monash Univ, ARC Ctr Excellence Coherent Xray Sci, Clayton, Vic 3800, Australia. [Cadenazzi, Guido] Monash Univ, Monash Ctr Synchrotron Sci, Clayton, Vic 3800, Australia. [de Jonge, Martin D.; Vogt, Stefan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Tilley, L (reprint author), La Trobe Univ, ARC Ctr Excellence Coherent Xray Sci, Bundoora, Vic 3086, Australia. EM l.tilley@latrobe.edu.au; keithan@unimelb.edu.au RI Pfeifer, Mark/C-4132-2011; de Jonge, Martin/C-3400-2011; Williams, Garth/H-1606-2012; Nugent, Keith/J-2699-2012; Abbey, Brian/D-3274-2011; Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013; Nugent, Keith/I-4154-2016; Hanssen, Eric/A-7217-2013 OI Nugent, Keith/0000-0003-1522-8991; Abbey, Brian/0000-0001-6504-0503; Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513; Nugent, Keith/0000-0002-4281-3478; Hanssen, Eric/0000-0002-4064-1844 FU Australian Research Council; Australian National Health and Medical Research Council; Australian Synchrotron Research Program; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC0206CH11357] FX Grant sponsors: Australian Research Council, Australian National Health and Medical Research Council, and the Australian Synchrotron Research Program.; Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC0206CH11357. We thank Alan Cowman, Walter and Eliza Hall Institute for supplying transfected parasites. NR 32 TC 35 Z9 36 U1 4 U2 19 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 1552-4922 J9 CYTOM PART A JI Cytom. Part A PD OCT PY 2008 VL 73A IS 10 BP 949 EP 957 DI 10.1002/cyto.a.20616 PG 9 WC Biochemical Research Methods; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 356AE UT WOS:000259750300011 PM 18671251 ER PT J AU Mukherjee, B Camacho, CV Tomimatsu, N Miller, J Burma, S AF Mukherjee, Bipasha Camacho, Cristel Vanessa Tomimatsu, Nozomi Miller, Jack Burma, Sandeep TI Modulation of the DNA-damage response to HZE particles by shielding SO DNA REPAIR LA English DT Article DE DNA-damage response (DDR); DNA double-strand break (DSB); HZE particles; High-LET radiation; DNA-PK; ATM; ATR; p53; H2AX ID DOUBLE-STRAND BREAKS; PHOSPHORYLATES HISTONE H2AX; ONCOGENE-INDUCED SENESCENCE; SPACE RADIATION PROTECTION; DEPENDENT PROTEIN-KINASE; NORMAL HUMAN FIBROBLASTS; IONIZING-RADIATION; HIGH-LET; GENOMIC INSTABILITY; MEV/NUCLEON FE-56 AB Ions of high atomic number and energy (HZE particles) pose a significant cancer risk to astronauts on prolonged space missions. On Earth, similar ions are being used for targeted cancer therapy. The properties of these particles can be drastically altered during passage through spacecraft shielding, therapy beam modulators, or the human body. Here, we have used pertinent responses to DNA double-strand breaks (DSBs) to understand the consequences of energy loss versus nuclear fragmentation of Fe ions during passage through shielding or tissue-equivalent materials. Phosphorylation of histone H2AX and recruitment of 53BP1 were used to generate 3D reconstructions of DNA damage in human cells and to follow its repair. Human cells are unable to repair a significant portion of DNA damage induced by Fe ions. DNA-PK and ATM are required, to different extents, for the partial repair of Fe-induced DNA damage. Aluminum shielding has little effect on DNA damage or its repair, confirming that the hulls of the Space Shuttle and the International Space Station afford scant protection against these particles. Lead shielding, on the other hand, exacerbates the effects of Fe ions due to energy loss during particle traversal. In sharp contrast, polyethylene (PE), a favored hydrogenous shield, results in DNA damage that is more amenable to repair presumably due to Fe-ion fragmentation. Human cells are indeed able to efficiently repair DSBs induced by chlorine ions and protons that represent fragmentation products of Fe. Interestingly, activation of the tumor suppressor p53 in Fe-irradiated cells is uniquely biphasic and culminates in the induction of high levels of p21 (Waf1/Cip1), p16 (INK4a) and senescence-associated (beta-galactosidase activity. Surprisingly, these events occur even in the absence of ATM kinase implying that ATR may be a major responder to the complex DNA damage inflicted by Fe ions. Significantly, fragmentation of the Fe beam through PE attenuates these responses and this, in turn, results in better long-term survival in a colony-forming assay. Our results help us to understand the biological consequences of ion fragmentation through materials, whether in space or in the clinic, and provide us with a biological basis for the use of hydrogenous materials like PE as effective space shields. (c) 2008 Elsevier B.V. All rights reserved. C1 [Burma, Sandeep] Univ Texas SW Med Ctr Dallas, Dept Radiat Oncol, Div Mol Radiat Biol, Dallas, TX 75390 USA. [Miller, Jack] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA USA. RP Burma, S (reprint author), Univ Texas SW Med Ctr Dallas, Dept Radiat Oncol, Div Mol Radiat Biol, 2201 Inwood Rd,NC7-214E, Dallas, TX 75390 USA. EM sandeep.burma@utsouthwestern.edu FU NASA [NNA05CS97G, NNJ05HD36G]; U.S. Department of Energy [DE-A10205ER64048, DE-AC03076SF00098]; National Cancer Institute [T32CA124334] FX We are grateful to Cary Zeitlin and Lawrence Heilbronn (Lawrence Berkeley National Laboratory) for help with calculations of fragmentation spectra, Adam Rusek and Mike Sivertz (Brookhaven National Laboratory and the NASA Space Radiation Research Laboratory) for help with collection of fragmentation data, Betsy Sutherland, Peter Guida, and the support staff of Biology and Medical Departments (Brookhaven National Laboratory) for facilitating experiments at the Laboratory, Abhijit Bugde (Live Cell Imaging Core, UT Southwestern Medical Center) for help with imaging, Xian-Jin Xie (Simmons Comprehensive Cancer Center, UT Southwestern Medical Center) for statistical analyses of data, and Brandon Hahm for excellent technical assistance. We thank Prof. David Boothman for critical comments and Brian McEllin for carefully reading the manuscript. This work was supported by a grant from NASA to SB (NNA05CS97G), by the U.S. Department of Energy (DE-A10205ER64048), and by the NASA Specialized Center of Research (NNJ05HD36G). JM is supported by the U.S. Department of Energy under Contract No. DE-AC03076SF00098. CVC is supported by Grant Number T32CA124334 from the National Cancer Institute. NR 72 TC 19 Z9 20 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1568-7864 J9 DNA REPAIR JI DNA Repair PD OCT 1 PY 2008 VL 7 IS 10 BP 1717 EP 1730 DI 10.1016/j.dnarep.2008.06.016 PG 14 WC Genetics & Heredity; Toxicology SC Genetics & Heredity; Toxicology GA 368LB UT WOS:000260621500011 PM 18672098 ER PT J AU Peng, XQ Li, X Gilbert, JG Pak, AC Ashby, CR Brodie, JD Dewey, SL Gardner, EL Xi, ZX AF Peng, Xiao-Qing Li, Xia Gilbert, Jeremy G. Pak, Arlene C. Ashby, Charles R., Jr. Brodie, Jonathan D. Dewey, Stephen L. Gardner, Eliot L. Xi, Zheng-Xiong TI Gamma-vinyl GABA inhibits cocaine-triggered reinstatement of drug-seeking behavior in rats by a non-dopaminergic mechanism SO DRUG AND ALCOHOL DEPENDENCE LA English DT Article DE cocaine; dopamine; GABA; gamma-vinyl GABA; reinstatement; relapse ID AMINOBUTYRIC-ACID TRANSAMINASE; SELF-ADMINISTRATION BEHAVIOR; VENTRAL TEGMENTAL AREA; NUCLEUS-ACCUMBENS; DOPAMINE RELEASE; BRAIN REWARD; SYNAPTIC-TRANSMISSION; MOLECULAR-MECHANISMS; RECEPTORS; ADDICTION AB Relapse to drug use is a core feature of addiction. Previous studies demonstrate that -gamma-vinyl GABA (GVG), an irreversible GABA transaminase inhibitor, attenuates the acute rewarding effects of cocaine and other addictive drugs. We here report that systemic administration of GVG (25-300 mg/kg) close-dependently inhibits cocaine- or sucrose-induced reinstatement of reward-seeking behavior in rats. In vivo microdialysis data indicated that the same doses of GVG close-dependently elevate extracellular GABA levels in the nucleus accumbens (NAc). However, GVG; when administered systemically or locally into the NAc, failed to inhibit either basal or cocaine-priming enhanced NAc dopamine in either naive rats or cocaine extinction rats. These data suggest that: (1) GVG significantly inhibits cocaine- or sucrose-triggered reinstatement of reward-seeking behavior: and (2) a GABAergic-, but not dopaminergic-, dependent mechanism may underlie the antagonism by GVG of cocaine-triggered reinstatement of drug-seeking behavior, at least with respect to GVG's action on the NAc. Published by Elsevier Ireland Ltd. C1 [Peng, Xiao-Qing; Li, Xia; Gilbert, Jeremy G.; Pak, Arlene C.; Gardner, Eliot L.; Xi, Zheng-Xiong] Natl Inst Drug Abuse, Neuropsychopharmacol Sect, Intramural Res Program, NIH,DHHS, Baltimore, MD 21224 USA. [Ashby, Charles R., Jr.] St Johns Univ, Dept Pharmaceut Sci, Jamaica, NY 11439 USA. [Brodie, Jonathan D.] NYU, Sch Med, Dept Psychiat, New York, NY 10016 USA. [Dewey, Stephen L.] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. RP Xi, ZX (reprint author), Natl Inst Drug Abuse, Neuropsychopharmacol Sect, Intramural Res Program, NIH,DHHS, Baltimore, MD 21224 USA. EM zxi@intra.nida.nih.gov OI Brodie, Jonathan/0000-0002-2254-8654; PENG, XIAOQING/0000-0002-7272-5428 FU National Institute on Drug Abuse (NIDA); National Institutes of Health (NIH); U.S. Public Health Service (PHS); U.S. Department of Health and Human Services (DHHS); Aaron Diamond Foundation of New York City; Old Stones Foundation of Greenwich, Connecticut; Medical and Chemistry Departments of the Brookhaven National Laboratory, Upton, New York FX Funding for this study was provided by funds from the Intramural Research Program of the National Institute on Drug Abuse (NIDA), National Institutes of Health (NIH), U.S. Public Health Service (PHS), U.S. Department of Health and Human Services (DHHS). Preliminary planning of these experiments was supported by research grants from the Aaron Diamond Foundation of New York City and from the Old Stones Foundation of Greenwich, Connecticut, and by funds from the Medical and Chemistry Departments of the Brookhaven National Laboratory, Upton, New York. . NR 48 TC 16 Z9 18 U1 0 U2 3 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0376-8716 J9 DRUG ALCOHOL DEPEN JI Drug Alcohol Depend. PD OCT 1 PY 2008 VL 97 IS 3 BP 216 EP 225 DI 10.1016/j.drugalcdep.2007.10.004 PG 10 WC Substance Abuse; Psychiatry SC Substance Abuse; Psychiatry GA 353IT UT WOS:000259560600003 PM 18063319 ER PT J AU Strmcnik, D Tripkovic, D van der Vliet, D Stamenkovic, V Markovic, NM AF Strmcnik, D. Tripkovic, D. van der Vliet, D. Stamenkovic, V. Markovic, N. M. TI Adsorption of hydrogen on Pt(111) and Pt(100) surfaces and its role in the HOR SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE Hydrogen adsorption; H-UPD; Adsorption isotherms; HOR ID SINGLE-CRYSTAL SURFACES; ZERO TOTAL CHARGE; STEPPED SURFACES; PERCHLORIC-ACID; ELECTRODES; ELECTROCHEMISTRY; INTERFACE; ELECTROSORPTION; RELAXATION; OXIDATION AB Hydrogen adsorption isotherms, evaluated by combination of cyclic voltammetry and chronoamperometry, are reported on Pt(1 1 1) and Pt(1 0 0) surfaces in 0.1 M HCIO4. We found that at E > 0.05 V Pt(1 1 1) and Pt(1 0 0) are only partially covered by the adsorbed hydrogen (H-ad). On both surfaces, a full monolayer of the adsorbed hydrogen is completed at -0.1 V, i.e. the adsorption of atomic hydrogen is observed in the hydrogen evolution potential region. We also found, that the activity of the hydrogen oxidation reaction is mirrored by the shape of the hydrogen adsorption isotherms, implying that Had is in fact a spectator in the HOR. Published by Elsevier B.V. C1 [Strmcnik, D.; Tripkovic, D.; van der Vliet, D.; Stamenkovic, V.; Markovic, N. M.] Univ Chicago, Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Strmcnik, D (reprint author), Univ Chicago, Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM strmcnik@anl.gov RI van der Vliet, Dennis/P-2983-2015 OI van der Vliet, Dennis/0000-0002-2524-527X FU University of Chicago and Argonne, LLC, and the US Department of Energy [DE-AC02-06CH11357] FX This work was supported by the contract (DE-AC02-06CH11357) between the University of Chicago and Argonne, LLC, and the US Department of Energy. NR 24 TC 52 Z9 52 U1 8 U2 77 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 OCT PY 2008 VL 10 IS 10 BP 1602 EP 1605 DI 10.1016/j.elecom.2008.08.019 PG 4 WC Electrochemistry SC Electrochemistry GA 363OA UT WOS:000260275400049 ER PT J AU Mao, X Baloda, M Gurung, AS Lin, YH Liu, GD AF Mao, Xun Baloda, Meenu Gurung, Anant S. Lin, Yuehe Liu, Guodong TI Multiplex electrochemical immunoassay using gold nanoparticle probes and immunochromatographic strips SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE Immunoassay; Multiplex; Electrochemical; Immunochromatographic; Gold nanoparticle ID METALLOIMMUNOASSAY; LABELS AB We describe a multiplex electrochemical immunoassay based on the use of gold nanoparticle (Au-NP) probes and immunochromatographic strips (ISs). The approach takes advantage of the speed and low cost of the conventional IS tests and the high sensitivities of the nanoparticle-based electrochemical immunoassays. Rabbit IgG (R-IgG) and human IgM (H-IgM) were used as model targets for the demonstration of the proof of concept. The Au-NPs based sandwich immunoreactions were performed on the IS, and the captured gold nanoparticle labels on the test zones were determined by highly sensitive stripping voltammetric measurement of the dissolved gold ions (III) with a carbon paste electrode. The detection limits are 1.0 and 1.5 ng ml(-1) with the linear range of 2.5-250 ng ml(-1) for quantitative detection of R-IgG and H-IgM, respectively. The total assay time is around 25 min. Such multiplex electrochemical immunoassay could be readily highly multiplexed to allow simultaneous parallel detection of numerous proteins and is expected to open new opportunities for protein diagnostics and biosecurity. (C) 2008 Elsevier B.V. All rights reserved. C1 [Mao, Xun; Baloda, Meenu; Gurung, Anant S.; Liu, Guodong] N Dakota State Univ, Dept Chem & Mol Biol, Fargo, ND 58105 USA. [Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Liu, GD (reprint author), N Dakota State Univ, Dept Chem & Mol Biol, Fargo, ND 58105 USA. EM guodong.liu@ndsu.edu RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 FU North Dakota Experimental Program to Stimulate Competitive Research (EPS-CoR); North Dakota State University; Pacific Northwest National laboratory (PNNL) FX G. Liu acknowledges the financial support from North Dakota Experimental Program to Stimulate Competitive Research (EPS-CoR) and new faculty startup funds of North Dakota State University. Y. Lin acknowledges the financial support from the laboratory-directed research and development program at Pacific Northwest National laboratory (PNNL). PNNL is operated by Battelle for DOE under Contract DE-AC05-76RL01830. NR 12 TC 49 Z9 50 U1 4 U2 33 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 OCT PY 2008 VL 10 IS 10 BP 1636 EP 1640 DI 10.1016/j.elecom.2008.08.032 PG 5 WC Electrochemistry SC Electrochemistry GA 363OA UT WOS:000260275400058 ER PT J AU Oelkers, EH Cole, DR AF Oelkers, Eric H. Cole, David R. TI Carbon Dioxide Sequestration: A Solution to a Global Problem SO ELEMENTS LA English DT Article DE global carbon cycle; CO(2) sequestration; global warming; ocean acidification ID COUPLED CLIMATE MODEL; CO2 SEQUESTRATION; ATMOSPHERIC CO2; STORAGE; 21ST-CENTURY; CIRCULATION; SCENARIOS; DISPOSAL; BALANCE; SURFACE AB Human and industrial development over the past hundred years has led to a huge increase in fossil fuel consumption and CO(2) emissions, causing a dramatic increase in atmospheric CO(2) concentration. This increased CO(2) is believed to be responsible for a significant rise in global temperature over the past several decades. Global-scale climate modeling suggests that the temperature increase will continue, at least over the next few hundred years, leading to glacial melting and rising sea levels. Increased atmospheric CO(2) also leads to ocean acidification, which will have drastic consequences for marine ecosystems. In an attempt to solve these problems, many have proposed the large-scale sequestration of CO(2) from our atmosphere. This introductory article presents a summary of some of the evidence linking increasing atmospheric CO(2) concentration to global warming and ocean acidification and our efforts to stem this rise though CO(2) sequestration. C1 [Oelkers, Eric H.] Univ Toulouse, LMTG, CNRS, IRD OMP, F-31400 Toulouse, France. [Cole, David R.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Oelkers, EH (reprint author), Univ Toulouse, LMTG, CNRS, IRD OMP, 14 Av Edouard Belin, F-31400 Toulouse, France. EM oelkers@lmtg.obs-mip.fr; coledr@ornl.gov OI Oelkers, Eric/0000-0002-5759-524X FU Centre National de la Recherche Scientifique; European Commission Marie Curie Grants 'MIR' [MEST-CT-2005-021120]; MIN-GRO [MRTN-CT-2006-035488]; U.S. Department of Energy through projects funded by the Office of Basic Energy Sciences; Office of Fossil Energy [DF-AC05-00OR22725] FX This issue Owes its existence to the discussions and encouragement from Our many friends and colleagues. First and foremost, Susan Stipp and Pierrette Tremblay, who worked tirelessly with us to keep us motivated, cleanse texts and figures, and help Pull this issue together. We also thank S. Callahan, J. Schott, S. Gislason, P. Benezeth and O. Pokrovsky for moral and scientific support during the Creation of this issue. EHO's efforts were supported by the Centre National de la Recherche Scientifique, the European Commission Marie Curie Grants 'MIR' (MEST-CT-2005-021120) and 'MIN-GRO' (MRTN-CT-2006-035488). DRC receives support from the U.S. Department of Energy through projects funded by the Office of Basic Energy Sciences and the Office of Fossil Energy under contract DF-AC05-00OR22725 to Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC. NR 52 TC 71 Z9 75 U1 6 U2 49 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 OCT PY 2008 VL 4 IS 5 BP 305 EP 310 DI 10.2113/gselements.4.5.305 PG 6 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 382HZ UT WOS:000261598200008 ER PT J AU Benson, SM Cole, DR AF Benson, Sally M. Cole, David R. TI CO(2) Sequestration in Deep Sedimentary Formations SO ELEMENTS LA English DT Article DE sequestration; CO(2) properties; fluid migration; monitoring; risks ID WATER-ROCK INTERACTIONS; GEOLOGICAL SEQUESTRATION; GREENHOUSE GASES; SALINE AQUIFERS; CLIMATE-CHANGE; FRIO-FORMATION; STORAGE; BASINS; USA; INJECTION AB Carbon dioxide capture and sequestration (CCS) in deep geological formations has recently emerged as an Important option for reducing greenhouse emissions. If CCS is Implemented on the scale needed to make noticeable reductions in atmospheric CO(2), a billion metric tons or more must be sequestered annually-a 250 fold Increase over the amount sequestered today. Securing such a large volume will require a solid scientific foundation defining the coupled hydrologic-geochemical-geomechanical processes that govern the long-term fate of CO(2) In the subsurface. Also needed are methods to characterize and select sequestration sites, subsurface engineering to optimize performance and cost, approaches to ensure safe operation, monitoring technology, remediation methods, regulatory overview, and an institutional approach for managing long-term liability. C1 [Benson, Sally M.] Stanford Univ, Dept Energy Resources Engn, Stanford, CA 94305 USA. [Cole, David R.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Benson, SM (reprint author), Stanford Univ, Dept Energy Resources Engn, 473 Via Ortega, Stanford, CA 94305 USA. EM smbenson@stanford.edu; coledr@ornl.gov NR 32 TC 214 Z9 218 U1 7 U2 68 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 OCT PY 2008 VL 4 IS 5 BP 325 EP 331 DI 10.2113/gselements.4.5.325 PG 7 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 382HZ UT WOS:000261598200011 ER PT J AU Vine, E AF Vine, Edward TI Strategies and policies for improving energy efficiency programs: Closing the loop between evaluation and implementation SO ENERGY POLICY LA English DT Article DE Evaluation; Regulator; Implementer AB Program implementers often use evaluation results to improve the performance of their programs, but, as described in this paper, this is not always the case. Based on a review of the literature, participation in workshops, and interviews with over 50 program implementers, evaluators, and regulators in the United States and Canada, the utilization of evaluation results is investigated by asking the following questions: (1) How are program evaluation results used by program implementers and other stakeholders? (2) How are program evaluation results communicated to program implementers and other stakeholders? (3) Are the needs of program implementers being met by program evaluation? (4) What is the role of the utility regulator in facilitating the use of program evaluation results? (5) What other mechanisms can facilitate the use of program evaluation results? While there is some consensus on the answers to these questions, the type of interest in and use of evaluation varies by functional role (e.g., evaluator versus implementer), maturity of the energy efficiency market, institutional context (e.g., evaluation and implementation conducted inside the same organization, or evaluation and implementation conducted by separate entities), and by regulatory demands and evaluation interests. (C) 2008 Elsevier Ltd. All rights reserved. C1 Lawrence Berkeley Natl Lab, EETD, Calif Inst Energy & Environm, Berkeley, CA 94708 USA. RP Vine, E (reprint author), Lawrence Berkeley Natl Lab, EETD, Calif Inst Energy & Environm, Bldg 90-4000, Berkeley, CA 94708 USA. EM elvine@lbl.gov NR 10 TC 12 Z9 12 U1 0 U2 3 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 J9 ENERG POLICY JI Energy Policy PD OCT PY 2008 VL 36 IS 10 BP 3872 EP 3881 DI 10.1016/j.enpol.2008.06.038 PG 10 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 367ON UT WOS:000260561400026 ER PT J AU Botterud, A Yildiz, B Conzelmann, G Petri, MC AF Botterud, Audun Yildiz, Bilge Conzelmann, Guenter Petri, Mark C. TI Nuclear hydrogen: An assessment of product flexibility and market viability SO ENERGY POLICY LA English DT Article DE Nuclear hydrogen and electricity production; Product flexibility; Real options analysis ID GENERATION; OPTIONS AB Nuclear energy has the potential to play an important role in the future energy system as a large-scale source of hydrogen without greenhouse gas emissions. Thus far, economic studies of nuclear hydrogen tend to focus on the levelized cost of hydrogen without accounting for the risks and uncertainties that potential investors would face. We present a financial model based on real options theory to assess the profitability of different nuclear hydrogen production technologies in evolving electricity and hydrogen markets. The model uses Monte Carlo simulations to represent uncertainty in future hydrogen and electricity prices. It computes the expected value and the distribution of discounted profits from nuclear hydrogen production plants. Moreover, the model quantifies the value of the option to switch between hydrogen and electricity production, depending on what is more profitable to sell. We use the model to analyze the market viability of four potential nuclear hydrogen technologies and conclude that flexibility in output product is likely to add significant economic value for an investor in nuclear hydrogen. This should be taken into account in the development phase of nuclear hydrogen technologies. Published by Elsevier Ltd. C1 [Botterud, Audun; Conzelmann, Guenter; Petri, Mark C.] Argonne Natl Lab, Argonne, IL 60439 USA. [Yildiz, Bilge] MIT, Cambridge, MA 02139 USA. RP Botterud, A (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM abotterud@anl.gov FU US Department of Energy Office of Science laboratory [DE-AC02-06CH11357]; DOE's Nuclear Hydrogen Initiative FX 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 non-exclusive, 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. Financial support for the work was provided by DOE's Nuclear Hydrogen Initiative. NR 16 TC 5 Z9 5 U1 0 U2 2 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 J9 ENERG POLICY JI Energy Policy PD OCT PY 2008 VL 36 IS 10 BP 3961 EP 3973 DI 10.1016/j.enpol.2008.07.007 PG 13 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 367ON UT WOS:000260561400033 ER PT J AU Dellinger, B D'Alessio, A D'Anna, A Ciajolo, A Gullett, B Henry, H Keener, M Lighty, J Lomnicki, S Lucas, D Oberdorster, G Pitea, D Suk, W Sarofim, A Smith, KR Stoeger, T Tolbert, P Wyzga, R Zimmermann, R AF Dellinger, Barry D'Alessio, Antonio D'Anna, Andrea Ciajolo, Anna Gullett, Brian Henry, Heather Keener, Mel Lighty, JoAnn Lomnicki, Slawomir Lucas, Donald Oberdorster, Gunter Pitea, Demetrio Suk, William Sarofim, Adel Smith, Kirk R. Stoeger, Tobias Tolbert, Paige Wyzga, Ron Zimmermann, Ralf TI Combustion Byproducts and Their Health Effects: Summary of the 10(th) International Congress SO ENVIRONMENTAL ENGINEERING SCIENCE LA English DT Article DE products of incomplete combustion; PICs, biomass combustion; persistent free radicals; particulate matter; soot; NOC; nanoparticles; ultrafine particles; dioxins; mercury; tobacco smoke ID ULTRAFINE CARBON PARTICLES; POLYCYCLIC AROMATIC-HYDROCARBONS; EMERGENCY-DEPARTMENT VISITS; PARTICULATE AIR-POLLUTION; FLIGHT MASS-SPECTROMETRY; SMOKE EXPOSURE; ORGANIC-CARBON; SOOT FORMATION; FLY-ASH; FINE AB The 10th International Congress on Combustion Byproducts and their Health Effects was held in Ischia, Italy, from June 17-20, 2007. It is sponsored by the US NIEHS, NSF, Coalition for Responsible Waste Incineration (CRWI), and Electric Power Research Institute (EPRI). The congress focused on: the origin, characterization, and health impacts of combustion-generated fine and ultrafine particles; emissions of mercury and dioxins, and the development/ application of novel analytical/diagnostic tools. The consensus of the discussion was that particle-associated organics, metals, and persistent free radicals (PFRs) produced by combustion sources are the likely source of the observed health impacts of airborne PM rather than simple physical irritation of the particles. Ultrafine particle-induced oxidative stress is a likely progenitor of the observed health impacts, but important biological and chemical details and possible catalytic cycles remain unresolved. Other key conclusions were: (1) In urban settings, 70% of airborne fine particles are a result of combustion emissions and 50% are due to primary emissions from combustion sources, (2) In addition to soot, combustion produces one, possibly two, classes of nanoparticles with mean diameters of similar to 10 nm and similar to 1 nm. (3) The most common metrics used to describe particle toxicity, viz. surface area, sulfate concentration, total carbon, and organic carbon, cannot fully explain observed health impacts, (4) Metals contained in combustion-generated ultrafine and fine particles mediate formation of toxic air pollutants such as PCDD/F and PFRs. (5) The combination of metal-containing nanoparticles, organic carbon compounds, and PFRs can lead to a cycle generating oxidative stress in exposed organisms. C1 [Dellinger, Barry; Lomnicki, Slawomir] Louisiana State Univ, Dept Chem, Baton Rouge, LA 70803 USA. [D'Alessio, Antonio; D'Anna, Andrea] Univ Naples Federico 2, Dipartimento Ingn Chim, Naples, Italy. [Ciajolo, Anna] CNR, Ist Ric Combust, I-80125 Naples, Italy. [Gullett, Brian] US EPA, Off Res & Dev, Res Triangle Pk, NC 27711 USA. [Henry, Heather; Suk, William] NIEHS, Div Extramural Res & Training, Res Triangle Pk, NC 27709 USA. [Keener, Mel] CRWI, Washington, DC USA. [Lighty, JoAnn; Sarofim, Adel] Univ Utah, Dept Chem Engn, Salt Lake City, UT 84112 USA. [Lucas, Donald] Univ Calif Berkeley, Sch Publ Hlth, Lawrence Berkeley Natl Lab, Environm Hlth & Safety Div, Berkeley, CA 94720 USA. [Oberdorster, Gunter] Univ Rochester, Dept Environm Med, Rochester, NY USA. [Pitea, Demetrio] Univ Milano Bicocca, Dipartimento Sci Ambientali, Milan, Italy. [Stoeger, Tobias; Zimmermann, Ralf] German Res Ctr Environm Hlth, Inst Ecol Chem, Hemholtz Zentrum Munchen, D-85764 Oberschleissheim, Germany. [Tolbert, Paige] Emory Univ, Rollins Sch Publ Hlth, Atlanta, GA 30322 USA. [Wyzga, Ron] Elect Power Res Inst, Palo Alto, CA USA. [Zimmermann, Ralf] Univ Rostock, Inst Chem, Chair Analyt Chem, D-18051 Rostock, Germany. RP Dellinger, B (reprint author), Louisiana State Univ, Dept Chem, 413 Choppin Hall, Baton Rouge, LA 70803 USA. EM barryd@lsu.edu RI Tolbert, Paige/A-5676-2015; Stoger, Tobias/M-9861-2014; ciajolo, anna/M-7850-2015; OI Stoger, Tobias/0000-0002-2790-0389; ciajolo, anna/0000-0003-3882-4964; D'Anna, Andrea/0000-0001-9018-3637 FU Analisi e Monitoraggio del Rischio Ambientale (AMRA); National Research Council of Italy (CNR); Coalition for Responsible Waste Incineration (CRWI); Electric Power Research Institute (EPRI); Louisiana State University (LSU); National Institute of Environmental Health Sciences (NIEHS); National Science Foundation (NSF); Universita degli Studi di Napoli Federico II; University of California-Berkeley FX We would like to acknowledge the sponsors of the conference for their financial and organizational support: Analisi e Monitoraggio del Rischio Ambientale (AMRA), National Research Council of Italy (CNR), Coalition for Responsible Waste Incineration (CRWI), Electric Power Research Institute (EPRI), Louisiana State University (LSU), National Institute of Environmental Health Sciences (NIEHS), National Science Foundation (NSF), Universita degli Studi di Napoli Federico II, and University of California-Berkeley NR 52 TC 3 Z9 3 U1 0 U2 21 PU MARY ANN LIEBERT INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 1092-8758 J9 ENVIRON ENG SCI JI Environ. Eng. Sci. PD OCT PY 2008 VL 25 IS 8 BP 1107 EP 1114 DI 10.1089/ees.2008.0233 PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 359RA UT WOS:000260004600001 PM 22476005 ER PT J AU Pierce, E Xie, G Barabote, RD Saunders, E Han, CS Detter, JC Richardson, P Brettin, TS Das, A Ljungdahl, LG Ragsdale, SW AF Pierce, Elizabeth Xie, Gary Barabote, Ravi D. Saunders, Elizabeth Han, Cliff S. Detter, John C. Richardson, Paul Brettin, Thomas S. Das, Amaresh Ljungdahl, Lars G. Ragsdale, Stephen W. TI The complete genome sequence of Moorella thermoacetica (f. Clostridium thermoaceticum) SO ENVIRONMENTAL MICROBIOLOGY LA English DT Review ID CARBON-MONOXIDE DEHYDROGENASE; THERMOSTABLE FORMYLTETRAHYDROFOLATE SYNTHETASE; DEPENDENT FORMATE DEHYDROGENASE; SULFATE-REDUCING BACTERIUM; ESCHERICHIA-COLI; ANAEROBIC-BACTERIA; ACETOGENIC BACTERIA; ELECTRON-TRANSPORT; COENZYME-A; SP-NOV. AB This paper describes the genome sequence of Moorella thermoacetica (f. Clostridium thermoaceticum), which is the model acetogenic bacterium that has been widely used for elucidating the Wood-Ljungdahl pathway of CO and CO(2) fixation. This pathway, which is also known as the reductive acetyl-CoA pathway, allows acetogenic (often called homoacetogenic) bacteria to convert glucose stoichiometrically into 3 mol of acetate and to grow autotrophically using H(2) and CO as electron donors and CO(2) as an electron acceptor. Methanogenic archaea use this pathway in reverse to grow by converting acetate into methane and CO(2). Acetogenic bacteria also couple the Wood-Ljungdahl pathway to a variety of other pathways to allow the metabolism of a wide variety of carbon sources and electron donors (sugars, carboxylic acids, alcohols and aromatic compounds) and electron acceptors (CO(2), nitrate, nitrite, thiosulfate, dimethylsulfoxide and aromatic carboxyl groups). The genome consists of a single circular 2 628 784 bp chromosome encoding 2615 open reading frames (ORFs), which includes 2523 predicted protein-encoding genes. Of these, 1834 genes (70.13%) have been assigned tentative functions, 665 (25.43%) matched genes of unknown function, and the remaining 24 (0.92%) had no database match. A total of 2384 (91.17%) of the ORFs in the M. thermoacetica genome can be grouped in orthologue clusters. This first genome sequence of an acetogenic bacterium provides important information related to how acetogens engage their extreme metabolic diversity by switching among different carbon substrates and electron donors/acceptors and how they conserve energy by anaerobic respiration. Our genome analysis indicates that the key genetic trait for homoacetogenesis is the core acs gene cluster of the Wood-Ljungdahl pathway. C1 [Pierce, Elizabeth; Ragsdale, Stephen W.] Univ Michigan, Dept Biol Chem, Ann Arbor, MI 48109 USA. [Xie, Gary; Barabote, Ravi D.; Saunders, Elizabeth; Han, Cliff S.; Detter, John C.; Richardson, Paul; Brettin, Thomas S.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA. [Xie, Gary; Barabote, Ravi D.; Saunders, Elizabeth; Han, Cliff S.; Detter, John C.; Brettin, Thomas S.] Joint Genome Inst, Dept Energy, Walnut Creek, CA USA. [Richardson, Paul] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Das, Amaresh; Ljungdahl, Lars G.] Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA. RP Ragsdale, SW (reprint author), Univ Michigan, Dept Biol Chem, Ann Arbor, MI 48109 USA. EM sragsdal@umich.edu RI Barabote, Ravi/B-8727-2011; Barabote, Ravi/C-1299-2017; OI Barabote, Ravi/0000-0002-0403-246X; xie, gary/0000-0002-9176-924X FU NIH [GM39451] FX We are grateful to the DOE Joint Genome Institute for selecting M. thermoacetica for sequencing and to many people at JGI who were involved in the sequencing effort. The work was supported by a grant from NIH (GM39451, S. W. R.). We thank Thomas Morton for extracting one of the DNA samples used in these studies. NR 145 TC 126 Z9 467 U1 6 U2 41 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1462-2912 J9 ENVIRON MICROBIOL JI Environ. Microbiol. PD OCT PY 2008 VL 10 IS 10 BP 2550 EP 2573 DI 10.1111/j.1462-2920.2008.01679.x PG 24 WC Microbiology SC Microbiology GA 347NI UT WOS:000259147900009 PM 18631365 ER PT J AU Peterson, SB Warnecke, F Madejska, J McMahon, KD Hugenholtz, P AF Peterson, S. Brook Warnecke, Falk Madejska, Julita McMahon, Katherine D. Hugenholtz, Philip TI Environmental distribution and population biology of Candidatus Accumulibacter, a primary agent of biological phosphorus removal SO ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID POLYPHOSPHATE-ACCUMULATING ORGANISMS; MICROBIAL COMMUNITIES; ACTIVATED-SLUDGE; KINASE GENES; SCALE; DIVERSITY; BIOGEOGRAPHY; BACTERIA; ECOLOGY; PLANTS AB Members of the uncultured bacterial genus Candidatus Accumulibacter are capable of intracellular accumulation of inorganic phosphate in activated sludge wastewater treatment plants (WWTPs) performing enhanced biological phosphorus removal, but were also recently shown to inhabit freshwater and estuarine sediments. Additionally, metagenomic sequencing of two bioreactor cultures enriched in Candidatus Accumulibacter, but housed on separate continents, revealed the potential for global dispersal of particular Candidatus Accumulibacter strains, which we hypothesize is facilitated by the ability of Candidatus Accumulibacter to persist in environmental habitats. In the current study, we used sequencing of a phylogenetic marker, the ppk1 gene, to characterize Candidatus Accumulibacter populations in diverse environments, at varying distances from WWTPs. We discovered several new lineages of Candidatus Accumulibacter which had not previously been detected in WWTPs, and also uncovered new diversity and structure within previously detected lineages. Habitat characteristics were found to be a key determinant of Candidatus Accumulibacter lineage distribution while, as predicted, geographic distance played little role in limiting dispersal on a regional scale. However, on a local scale, enrichment of particular Candidatus Accumulibacter lineages in WWTP appeared to impact local environmental populations. These results provide evidence of ecological differences among Candidatus Accumulibacter lineages. C1 [Peterson, S. Brook; McMahon, Katherine D.] Univ Wisconsin, Microbiol Doctoral Training Program, Madison, WI 53706 USA. [Warnecke, Falk; Madejska, Julita; Hugenholtz, Philip] DOE Joint Genome Inst, Microbial Ecol Program, Walnut Creek, CA USA. [McMahon, Katherine D.] Univ Wisconsin, Dept Civil & Environm Engn, Madison, WI 53706 USA. RP McMahon, KD (reprint author), Univ Wisconsin, Microbiol Doctoral Training Program, 1550 Linden Dr, Madison, WI 53706 USA. EM tmcmahon@engr.wisc.edu RI Hugenholtz, Philip/G-9608-2011; McMahon, Katherine/I-3651-2012; OI hugenholtz, philip/0000-0001-5386-7925; McMahon, Katherine D./0000-0002-7038-026X FU NIGMS NIH HHS [T32 GM008349-18, T32 GM008349] NR 43 TC 49 Z9 57 U1 8 U2 53 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1462-2912 J9 ENVIRON MICROBIOL JI Environ. Microbiol. PD OCT PY 2008 VL 10 IS 10 BP 2692 EP 2703 DI 10.1111/j.1462-2920.2008.01690.x PG 12 WC Microbiology SC Microbiology GA 347NI UT WOS:000259147900020 PM 18643843 ER PT J AU Saal, FS Parmigiani, S Palanza, PL Everett, LG Ragaini, R AF Vom Saal, Frederick S. Parmigiani, Stefano Palanza, Paola L. Everett, Lorne G. Ragaini, Richard TI The plastic world: Sources, amounts, ecological impacts and effects on development, reproduction, brain and behavior in aquatic and terrestrial animals and humans Introduction SO ENVIRONMENTAL RESEARCH LA English DT Editorial Material ID DI-(2-ETHYLHEXYL) PHTHALATE DEHP; XENOESTROGEN BISPHENOL-A; MALE OFFSPRING RATS; ETHER PBDE LEVELS; LACTATIONAL EXPOSURE; DOSE-RESPONSE; IN-UTERO; INHIBITION; HEALTH; CELLS C1 [Vom Saal, Frederick S.] Univ Missouri, Dept Biol Sci, Columbia, MO 65211 USA. [Parmigiani, Stefano; Palanza, Paola L.] Univ Parma, Dipartimento Biol Evolut & Funz, I-43100 Parma, Italy. [Everett, Lorne G.] Haley Aldrich Inc, Santa Barbara, CA 93105 USA. [Ragaini, Richard] Lawrence Livermore Natl Lab, Environm Protect Dept, Livermore, CA 94551 USA. RP Saal, FS (reprint author), Univ Missouri, Dept Biol Sci, Columbia, MO 65211 USA. EM VomsaalF@missouri.edu NR 25 TC 4 Z9 4 U1 2 U2 15 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 OCT PY 2008 VL 108 IS 2 BP 127 EP 130 DI 10.1016/j.envres.2008.03.008 PG 4 WC Environmental Sciences; Public, Environmental & Occupational Health SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health GA 361MS UT WOS:000260132400001 ER PT J AU Baccini, A Laporte, N Goetz, SJ Sun, M Dong, H AF Baccini, A. Laporte, N. Goetz, S. J. Sun, M. Dong, H. TI A first map of tropical Africa's above-ground biomass derived from satellite imagery SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE biomass; carbon; MODIS; lidar; GLAS; regression tree; Random Forest; REDD ID REMOTELY-SENSED DATA; LAND-COVER; FOREST BIOMASS; AMAZON BASIN; AVHRR DATA; LIDAR; USA; MULTIRESOLUTION; CLASSIFICATION; INFORMATION AB Observations from the moderate resolution imaging spectroradiometer (MODIS) were used in combination with a large data set of field measurements to map woody above-ground biomass (AGB) across tropical Africa. We generated a best-quality cloud-free mosaic of MODIS satellite reflectance observations for the period 2000-2003 and used a regression tree model to predict AGB at 1 km resolution. Results based on a cross-validation approach show that the model explained 82% of the variance in AGB, with a root mean square error of 50.5 Mg ha(-1) for a range of biomass between 0 and 454 Mg ha(-1). Analysis of lidar metrics from the Geoscience Laser Altimetry System (GLAS), which are sensitive to vegetation structure, indicate that the model successfully captured the regional distribution of AGB. The results showed a strong positive correlation (R(2) = 0.90) between the GLAS height metrics and predicted AGB. C1 [Baccini, A.; Laporte, N.; Goetz, S. J.; Sun, M.] Woods Hole Res Ctr, Falmouth, MA 02540 USA. [Dong, H.] Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. RP Baccini, A (reprint author), Woods Hole Res Ctr, 149 Woods Hole Rd, Falmouth, MA 02540 USA. EM abaccini@whrc.org RI Huang, Dong/H-7318-2014; Goetz, Scott/A-3393-2015 OI Huang, Dong/0000-0001-9715-6922; Goetz, Scott/0000-0002-6326-4308 FU NASA [NNG05GD14G, NNS06AA06A]; Roger and Victoria Sant; Joseph Gleberman; Linden Trust for Conservation FX This work was funded under NASA contract number NNG05GD14G and NNS06AA06A, the Roger and Victoria Sant, Joseph Gleberman, and The Linden Trust for Conservation. The authors thank the Congolaise Industrielle du Bois (Olivier Desmet and Dominique Paget) in the ROC, the Uganda National Forest Authority, and Miro Honzak for sharing their data sets; and Claudia C Carabajal and Marc Simard for sharing their knowledge about GLAS data. NR 51 TC 128 Z9 136 U1 8 U2 70 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1748-9326 J9 ENVIRON RES LETT JI Environ. Res. Lett. PD OCT-DEC PY 2008 VL 3 IS 4 AR 045011 DI 10.1088/1748-9326/3/4/045011 PG 9 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 442YW UT WOS:000265878400021 ER PT J AU Guo, H Liu, YG Daum, PH Senum, GI Tao, WK AF Guo, Huan Liu, Yangang Daum, Peter H. Senum, Gunnar I. Tao, Wei-Kuo TI Characteristics of vertical velocity in marine stratocumulus: comparison of large eddy simulations with observations SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE vertical velocity; subgrid variability; marine stratocumulus ID LIQUID WATER DISTRIBUTIONS; BOUNDARY-LAYER; SCALE-INVARIANCE; CLOUDS; MODELS; MICROPHYSICS; SKEWNESS; PARAGON; NUMBER; ISSUES AB We simulated a marine stratus deck sampled during the Marine Stratus/Stratocumulus Experiment (MASE) with a three-dimensional large eddy simulation (LES) model at different model resolutions. Various characteristics of the vertical velocity from the model simulations were evaluated against those derived from the corresponding aircraft in situ observations, focusing on standard deviation, skewness, kurtosis, probability density function (PDF), power spectrum, and structure function. Our results show that although the LES model captures reasonably well the lower-order moments (e. g., horizontal averages and standard deviations), it fails to simulate many aspects of the higher-order moments, such as kurtosis, especially near cloud base and cloud top. Further investigations of the PDFs, power spectra, and structure functions reveal that compared to the observations, the model generally underestimates relatively strong variations on small scales. The results also suggest that increasing the model resolutions improves the agreements between the model results and the observations in virtually all of the properties that we examined. Furthermore, the results indicate that a vertical grid size <10 m is necessary for accurately simulating even the standard-deviation profile, posing new challenges to computer resources. C1 [Guo, Huan; Liu, Yangang; Daum, Peter H.; Senum, Gunnar I.] Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. [Tao, Wei-Kuo] NASA, Goddard Space Flight Ctr, Atmospheres Lab, Greenbelt, MD 20771 USA. RP Guo, H (reprint author), Brookhaven Natl Lab, Div Atmospher Sci, Bldg 815E,75 Rutherford Dr, Upton, NY 11973 USA. EM hguo@umich.edu RI Liu, Yangang/H-6154-2011; Guo, Huan/D-8282-2014 FU US Department of Energy [DE-AC02-98CH10886]; State of New York; Atmospheric Radiation Observations (ARM); Atmospheric Sciences Programme (ASP); US Department of Energy/Atmospheric Radiation Measurement (DOE/ARM) Interagency Agreement [DE-AI02-04ER63755] FX This research utilized resources at the New York Center for Computational Sciences at Stony Brook University/Brookhaven National Laboratory which is supported by the US Department of Energy under Contract No. DE-AC02-98CH10886 and by the State of New York. Guo, Liu, and Daum are supported by the Atmospheric Radiation Observations (ARM) Programme and Atmospheric Sciences Programme (ASP) of the US Department of Energy under Contract No. DE-AC02-98CH10886. We are very grateful to Efstratios Efstathiadis, Andy Vogelmann, and James Davenport of BNL for their continuingly great support and valuable help on the New York Blue supercomputer. Tao is partially supported by the Office of Science (BER), and US Department of Energy/Atmospheric Radiation Measurement (DOE/ARM) Interagency Agreement No. DE-AI02-04ER63755. The GCE model is mainly supported by the NASA Headquarters Atmospheric Dynamics and Thermodynamics Programme and the NASA Tropical Rainfall Measuring Mission (TRMM). The authors are grateful to Dr Kiran Alapaty at DOE/ARM, Dr AshleyWilliamson at DOE/ASP, and Dr R Kakar at NASA headquarters for their support of this research. The authors also thank two anonymous reviewers for their constructive comments that improved this article considerably. NR 35 TC 14 Z9 14 U1 2 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1748-9326 J9 ENVIRON RES LETT JI Environ. Res. Lett. PD OCT-DEC PY 2008 VL 3 IS 4 AR 045020 DI 10.1088/1748-9326/3/4/045020 PG 8 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 442YW UT WOS:000265878400030 ER PT J AU Liu, YG Daum, PH Guo, H Peng, YR AF Liu, Yangang Daum, Peter H. Guo, Huan Peng, Yiran TI Dispersion bias, dispersion effect, and the aerosol-cloud conundrum SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE aerosols; clouds; aerosol indirect effects; dispersion bias; dispersion effect ID DROPLET EFFECTIVE RADIUS; SPECTRAL DISPERSION; STRATOCUMULUS CLOUDS; SIZE DISTRIBUTIONS; WATER-CONTENT; CLIMATE; ALBEDO; PARAMETERIZATION; PREDICTION; NUMBER AB This work examines the influences of relative dispersion ( the ratio of the standard deviation to the mean radius of the cloud droplet size distribution) on cloud albedo and cloud radiative forcing, derives an analytical formulation that accounts explicitly for the contribution from droplet concentration and relative dispersion, and presents a new approach to parameterize relative dispersion in climate models. It is shown that inadequate representation of relative dispersion in climate models leads to an overestimation of cloud albedo, resulting in a negative bias of global mean shortwave cloud radiative forcing that can be comparable to the warming caused by doubling CO(2) in magnitude, and that this dispersion bias is likely near its maximum for ambient clouds. Relative dispersion is empirically expressed as a function of the quotient between cloud liquid water content and droplet concentration (i.e., water per droplet), yielding an analytical formulation for the first aerosol indirect effect. Further analysis of the new expression reveals that the dispersion effect not only offsets the cooling from the Twomey effect, but is also proportional to the Twomey effect in magnitude. These results suggest that unrealistic representation of relative dispersion in cloud parameterization in general, and evaluation of aerosol indirect effects in particular, is at least in part responsible for several outstanding puzzles of the aerosol-cloud conundrum: for example, overestimation of cloud radiative cooling by climate models compared to satellite observations; large uncertainty and discrepancy in estimates of the aerosol indirect effect; and the lack of interhemispheric difference in cloud albedo. C1 [Liu, Yangang; Daum, Peter H.; Guo, Huan] Brookhaven Natl Lab, Upton, NY 11973 USA. [Peng, Yiran] Univ Victoria, Canadian Ctr Climate Modeling & Anal, Victoria, BC V8P 5C2, Canada. RP Liu, YG (reprint author), Brookhaven Natl Lab, Bldg 815E, Upton, NY 11973 USA. EM lyg@bnl.gov RI Liu, Yangang/H-6154-2011; Guo, Huan/D-8282-2014 FU Alexander von Humboldt Foundation in Germany; US Department of Energy (DOE)'s ARM FX Liu, Daum and Guo were supported by the US Department of Energy (DOE)'s ARM and ASP programs. Peng was supported by the Alexander von Humboldt Foundation in Germany. We are indebted to Drs Schwartz at BNL and Rotstayn at CSIRO for constructive discussions. NR 55 TC 25 Z9 25 U1 0 U2 12 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1748-9326 J9 ENVIRON RES LETT JI Environ. Res. Lett. PD OCT-DEC PY 2008 VL 3 IS 4 AR 045021 DI 10.1088/1748-9326/3/4/045021 PG 8 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 442YW UT WOS:000265878400031 ER PT J AU Hauschild, MZ Huijbregts, M Jolliet, O MacLeod, M Margni, M van de Meent, DV Rosenbaum, RK McKone, TE AF Hauschild, Michael Z. Huijbregts, Mark Jolliet, Olivier MacLeod, Matt Margni, Manuele van de Meent, Dik Rosenbaum, Ralph K. McKone, Thomas E. TI Building a model based on scientific consensus for life cycle impact assessment of chemicals: The search for harmony and parsimony SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID MULTIMEDIA FATE; OMNIITOX; INSIGHTS; WORKSHOP; EXPOSURE; RISK; LCA C1 [McKone, Thomas E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Huijbregts, Mark] Radboud Univ Nijmegen, NL-6525 ED Nijmegen, Netherlands. [Jolliet, Olivier] Univ Michigan, Sch Publ Hlth, Ann Arbor, MI 48109 USA. [MacLeod, Matt] ETH, Swiss Fed Inst Technol, Zurich, Switzerland. [Margni, Manuele; Rosenbaum, Ralph K.] Ecole Polytech Monteal, Montreal, PQ, Canada. [van de Meent, Dik] Natl Inst Publ Hlth & Environm RIVM, Bilthoven, Netherlands. [Hauschild, Michael Z.] Tech Univ Denmark, Lyngby, Denmark. RP McKone, TE (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM temckone@lbl.gov RI Hauschild, Michael/G-4335-2011; Huijbregts, Mark/B-8971-2011; MacLeod, Matthew/D-5919-2013; Margni, Manuele/A-4579-2013; van de Meent, Dik/C-3982-2011; QSA, DTU/J-4787-2014; Hauschild, Michael /L-6059-2015 OI MacLeod, Matthew/0000-0003-2562-7339; Jolliet, Olivier/0000-0001-6955-4210; Rosenbaum, Ralph/0000-0002-7620-1568; Hauschild, Michael /0000-0002-8331-7390 FU UNEP/SETAC Life Cycle Initiative; ACC (American Chemical Council); ICMM (International Council on Mining and Metals); LCA Center Denmark, and from the U.S.; EPA [DW-89-93058201-1]; Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX This work was performed under the auspices of the UNEP/SETAC Life Cycle Initiative, which also provided logistic and financial support and facilitated stakeholder consultations. We gratefully acknowledge financial support from ACC (American Chemical Council), ICMM (International Council on Mining and Metals), LCA Center Denmark, and from the U.S. EPA through Interagency Agreement DW-89-93058201-1 with Lawrence Berkeley National Laboratory through the U.S. DOE under Contract Grant DE-AC02-05CH11231. But most of the work for this project was carried out on a voluntary basis and financed by in-kind contributions from the authors' home institutions which are therefore gratefully acknowledged. The members of the UNEP-SETAC Task Force on Toxic Impacts include Michael Hauschild (chair; Denmark), Bill Adams (co-chair; U.S.), Till Bachmann (Germany), Cecile Bulle (Canada), Sau Soon Chen (Malaysia), Louise Deschenes (Canada), Evangelia Demou (Switzerland), Jeroen Guinee (Netherlands), Stefanie Hellweg (Switzerland), Mark Huijbregts (Netherlands), Olivier Jolliet (U.S.), Annette Kohler (Switzerland), Henrik Fred Larsen (Denmark), Manuele Margni (Canada), Thomas McKone (U.S.), Dik van de Meent (Netherlands), Manuel Olivera (Colombia), Stig Irving Olsen (Denmark), Jerome Payet (Switzerland), Pierre-Yves Robidoux (Canada), Ralph Rosenbaum (Switzerland), Andrea Russel (U.S.), and Marta Schuhmacher (Spain). All members were volunteers and received no payment. NR 18 TC 113 Z9 116 U1 2 U2 22 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 OCT 1 PY 2008 VL 42 IS 19 BP 7032 EP 7037 DI 10.1021/es703145t PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 353XX UT WOS:000259603700006 PM 18939523 ER PT J AU Moffet, RC Desyaterik, Y Hopkins, RJ Tivanski, AV Gilles, MK Wang, Y Shutthanandan, V Molina, LT Abraham, RG Johnson, KS Mugica, V Molina, MJ Laskin, A Prather, KA AF Moffet, Ryan C. Desyaterik, Yury Hopkins, Rebecca J. Tivanski, Alexei V. Gilles, Mary K. Wang, Y. Shutthanandan, V. Molina, Luisa T. Abraham, Rodrigo Gonzalez Johnson, Kirsten S. Mugica, Violeta Molina, Mario J. Laskin, Alexander Prather, Kimberly A. TI Characterization of aerosols containing Zn, Pb, and Cl from an industrial region of Mexico City SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID SOLID-WASTE INCINERATION; MASS-SPECTROMETRY; PARTICULATE MATTER; MCMA-2003 CAMPAIGN; AMBIENT AEROSOLS; PARTICLES; METALS; FINE; LEAD; AIR AB Recent ice core measurements show lead concentrations increasing since 1970, suggesting new nonautomobile-related sources of Pb are becoming important worldwide (1). Developing a full understanding of the major sources of Pb and other metals is critical to controlling these emissions. During the March, 2006 MILAGRO campaign, single particle measurements in Mexico City revealed the frequent appearance of particles internally mixed with Zn, Pb, Cl, and P. Pb concentrations were as high as 1.14 mu g/m(3) in PM10 and 0.76 mu g/m(3) in PM2.5. Real time measurements were used to select time periods of interest to perform off line analysis to obtain detailed aerosol speciation. Many Zn-rich particles had needle-like structures and were found to be composed of ZnO and/or Zn(NO3)(2)center dot 6H(2)O. The internally mixed Pb-Zn-Cl particles represented as much as 73% of the fine mode particles (by number) in the morning hours between 2-5 am. The Pb-Zn-Cl particles were primarily in the submicrometer size range and typically mixed with elemental carbon suggesting a combustion source. The unique single particle chemical associations measured in this study closely match signatures indicative of waste incineration. Our findings also show these industrial emissions play an important role in heterogeneous processing of NO, species. Primary emissions of metal and sodium chloride particles emitted by the same source underwent heterogeneous transformations into nitrate particles as soon as photochemical production of nitric acid began each day at similar to 7 am. C1 [Desyaterik, Yury; Shutthanandan, V.; Laskin, Alexander] Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. [Moffet, Ryan C.; Wang, Y.; Prather, Kimberly A.] Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA. [Moffet, Ryan C.; Hopkins, Rebecca J.; Tivanski, Alexei V.; Gilles, Mary K.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Molina, Luisa T.; Abraham, Rodrigo Gonzalez] Molina Ctr Energy & Environm MCE2, La Jolla, CA USA. [Molina, Luisa T.; Johnson, Kirsten S.] MIT, Dept Chem, Cambridge, MA 02139 USA. [Mugica, Violeta] Univ Autonoma Metropolitana Azcapotzalco, Mexico City 02200, DF, Mexico. RP Laskin, A (reprint author), Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. EM Alexander.Laskin@pnl.gov; kprather@ucsd.edu RI Prather, Kimberly/A-3892-2008; Laskin, Alexander/I-2574-2012 OI Prather, Kimberly/0000-0003-3048-9890; Laskin, Alexander/0000-0002-7836-8417 FU U.S. National Science Foundation [ATM-0528227]; U.S. Department of Energy (DOE) [DE-FG02-05ER63980]; Mexican Comision Ambiental Metropolitana; Department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory; U.S. Department of Energy by Battelle Memorial Institute [DE-AC06-76RL0]; U.S. Department of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX We thank the individuals who helped out at the TO site. The UCSD, the MIT, and the MCE2 groups acknowledge support provided by the U.S. National Science Foundation (ATM-0528227), the Atmospheric Science Program of the office of Biological and Environmental Research (ASP/OBER) of the U.S. Department of Energy (DOE), (grant DE-FG02-05ER63980). The PNNL and the LBNL research groups acknowledge support provided by ASP/OBER DOE. The AUMA research group acknowledges support provided by Mexican Comision Ambiental Metropolitana, The CCSEM/EDX and PIXE particle analyses were performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory. PNNL is operated by the U.S. Department of Energy by Battelle Memorial Institute under contract DE-AC06-76RL0. STXM/NEXAFS experiments at the ALS were partially supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy at Lawrence Berkeley National Laboratory under Contract No. DE-AC02-05CH11231. NR 31 TC 73 Z9 75 U1 2 U2 41 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 OCT 1 PY 2008 VL 42 IS 19 BP 7091 EP 7097 DI 10.1021/es7030483 PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 353XX UT WOS:000259603700014 PM 18939531 ER PT J AU Phillips, DH Watson, DB Kelly, SD Ravel, B Kemner, KM AF Phillips, D. H. Watson, D. B. Kelly, S. D. Ravel, B. Kemner, K. M. TI Deposition of uranium precipitates in dolomitic gravel fill SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID WEATHERED FRACTURED SAPROLITE/SHALE; URANYL-CARBONATE COMPLEXES; IRON REACTIVE BARRIER; IN-SITU BIOREDUCTION; MINERALOGICAL CHARACTERISTICS; CONTAMINATED GROUNDWATER; SORPTION; SPECTROSCOPY; REMEDIATION; SPECIATION AB Uranium-containing precipitates have been observed in a dolomitic gravel fill near the Department of Energy (DOE) S-3 Ponds former waste disposal site as a result of exposure to acidic (pH 3.4) groundwater contaminated with U (33 mg L(-1)), Al(3+) (900 mg L(-1)), and NO(3)(-) (14 000 mg L(-1)). The U containing precipitates fluoresce a bright green under ultraviolet (UV) short-wave light which identify U-rich coatings on the gravel. Scanning electron microscopy (SEM) microprobe analysis show U concentration ranges from 1.6-19.8% (average of 7%) within the coatings with higher concentrations at the interface of the dolomite fragments. X-ray absorption near edge structure spectroscopy (XANES) indicate that the U is hexavalent and extended X-ray absorption fine structure spectroscopy (EXAFS) shows that the uranyl is coordinated by carbonate. The exact nature of the uranyl carbonates are difficult to determine, but some are best described by a split K(+)-like shell similar to grimselite [K(4)Na(UO(2))(CO(3))(3)center dot H(2)O] and other regions are better described by a single Ca(2+)-like shell similar to liebigite [Ca(2)(UO(2))(CO(3))(3)center dot 11(H(2)O)] or andersonite [Na(2)CaUO(2)(CO(3))(3)center dot 6H(2)O]. The U precipitates are found in the form of white to light yellow cracked-formations as coatings on the dolomite gravel and as detached individual precipitates, and are associated with amorphous basalumnite [Al(4)(SO(4))(OH)(10)center dot 4H(2)O]. C1 [Watson, D. B.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Phillips, D. H.] Queens Univ Belfast, Environm Engn Res Ctr, Sch Planning Architecture & Civil Engn, Belfast BT9 5AG, Antrim, North Ireland. [Kelly, S. D.; Ravel, B.; Kemner, K. M.] Argonne Natl Lab, Mol Environm Sci Grp, Biosci Div, Argonne, IL 60439 USA. RP Watson, DB (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM watsondb@ornl.gov RI Phillips, Debra/F-1828-2010; ID, MRCAT/G-7586-2011; Watson, David/C-3256-2016 OI Phillips, Debra/0000-0001-8548-7409; Watson, David/0000-0002-4972-4136 FU DOE, Office of Science, Environmental Remediation Science [DE-AC02-06CH11357]; MRCAT FX The submitted manuscript has been authored by a contractor of the U.S. Government under contract No. DE-AC05-96R22464. This work was supported by the DOE, Office of Science, Environmental Remediation Science Program. Kenneth Lowe, Kirk Hyder, and George Houser assisted in the collection and analysis of cores and groundwater samples. Brian Spalding measured the gross gamma activity. We are grateful to Kathryn E. Fenske for aligning and averaging the EXAFS spectra and to Maxim I. Boyanov for preparing and characterizing the grimselite standard. Use of the Advanced Photon Source was supported by the DOE, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. MRCAT operations are supported by the DOE and the MRCAT member institutions. NR 26 TC 10 Z9 10 U1 0 U2 13 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 OCT 1 PY 2008 VL 42 IS 19 BP 7104 EP 7110 DI 10.1021/es8001579 PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 353XX UT WOS:000259603700016 PM 18939533 ER PT J AU Viswanathan, HS Pawar, RJ Stauffer, PH Kaszuba, JP Carey, JW Olsen, SC Keating, GN Kavetski, D Guthrie, GD AF Viswanathan, Hari S. Pawar, Rajesh J. Stauffer, Philip H. Kaszuba, John P. Carey, J. William Olsen, Seth C. Keating, Gordon N. Kavetski, Dmitri Guthrie, George D. TI Development of a hybrid process and system model for the assessment of wellbore leakage at a geologic CO(2) sequestration site SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID CEMENT AB Sequestration of CO(2) in geologic reservoirs is one of the promising technologies currently being explored to mitigate anthropogenic CO(2) emissions. Large-scale deployment of geologic sequestration will require seals with a cumulative area amounting to hundreds of square kilometers per year and will require a large number of sequestration sites. We are developing a system-level model, CO(2)-PENS, that will predict the overall performance of sequestration systems while taking into account various processes associated with different parts of a sequestration operation, from the power plant to sequestration reservoirs to the accessible environment. The adaptability of CO(2)-PENS promotes application to a wide variety of sites, and its level of complexity can be increased as detailed site information becomes available. The model CO(2)-PENS utilizes a science-based-prediction approach by integrating information from process-level laboratory experiments, field experiments/observations, and process-level numerical modeling. The use of coupled process models in the system model of CO(2)-PENS provides insights into the emergent behavior of aggregate processes that could not be obtained by using individual process models. We illustrate the utility of the concept by incorporating geologic and wellbore data into a synthetic, depleted oil reservoir. In this sequestration scenario, we assess the fate of CO(2) via wellbore release and resulting impacts of CO(2) to a shallow aquifer and release to the atmosphere. C1 [Viswanathan, Hari S.; Pawar, Rajesh J.; Stauffer, Philip H.; Kaszuba, John P.; Carey, J. William; Olsen, Seth C.; Keating, Gordon N.; Guthrie, George D.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Kavetski, Dmitri] Univ Newcastle, Newcastle, NSW 2308, Australia. RP Viswanathan, HS (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Mail Stop T-003, Los Alamos, NM 87545 USA. EM viswana@lanl.gov RI Carey, James/B-4421-2011; OI Stauffer, Philip/0000-0002-6976-221X FU U.S. Department of Energy, through the Zero Emission Research & Technology (ZERT) Program FX This work was supported by the U.S. Department of Energy, through the Zero Emission Research & Technology (ZERT) Program. The reviewers for this manuscript did an excellent job, and we Would like to thank them for greatly improving the manuscript. NR 21 TC 60 Z9 60 U1 0 U2 8 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 OCT 1 PY 2008 VL 42 IS 19 BP 7280 EP 7286 DI 10.1021/es800417x PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 353XX UT WOS:000259603700042 PM 18939559 ER PT J AU Bateman, AP Walser, ML Desyaterik, Y Laskin, J Laskin, A Nizkorodov, SA AF Bateman, Adam P. Walser, Maggie L. Desyaterik, Yury Laskin, Julia Laskin, Alexander Nizkorodov, Sergey A. TI The effect of solvent on the analysis of secondary organic aerosol using electrospray ionization mass spectrometry SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID CHEMICAL-COMPOSITION; OXIDATION-PRODUCTS; RESOLUTION; OLIGOMERS; ORGANOSULFATES; OZONOLYSIS; CHEMISTRY; NITRILES; LIMONENE; PINENE AB This study examined the effect of solvent on the analysis of organic aerosol extracts using electrospray ionization mass spectrometry (ESI-MS). Secondary organic aerosol (SOA) produced by ozonation of d-limonene, as well as several organic molecules with functional groups typical for OA constituents, were extracted in methanol, d(3)-methanol, acetonitrile, and d(3)-acetonitrile to investigate the extent and relative rates of reactions between analyte and solvent. High resolution ESI-MS showed that reactions of carbonyls with methanol produce significant amounts of hemiacetals and acetals on time scales ranging from several minutes to several days, with the reaction rates increasing in acidified solutions. Carboxylic acid groups were observed to react with methanol resulting in the formation of esters. In contrast, acetonitrile extracts showed no evidence of reactions with analyte molecules, suggesting that acetonitrile is the preferred solvent for SOA extraction. The use of solvent-analyte reactivity as a tool for the improved characterization of functional groups in complex organic mixtures was demonstrated. Direct comparison between mass spectra of the same SOA samples extracted in methanol versus acetonitrile was used to estimate the lower limits for the relative fractions of carbonyls (>= 42%) and carboxylic acids (>= 55%) in d-limonene SOA. C1 [Bateman, Adam P.; Walser, Maggie L.; Nizkorodov, Sergey A.] Univ Calif Irvine, Dept Chem, Irvine, CA 92617 USA. [Laskin, Julia] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Desyaterik, Yury; Laskin, Alexander] Environm Mol Sci Lab, Richland, WA 99352 USA. RP Nizkorodov, SA (reprint author), Univ Calif Irvine, Dept Chem, Irvine, CA 92617 USA. EM nizkorod@uci.edu RI Laskin, Julia/H-9974-2012; Bateman, Adam/G-2804-2015; Laskin, Alexander/I-2574-2012; Nizkorodov, Sergey/I-4120-2014 OI Laskin, Julia/0000-0002-4533-9644; Bateman, Adam/0000-0003-3514-0727; Laskin, Alexander/0000-0002-7836-8417; Nizkorodov, Sergey/0000-0003-0891-0052 FU U.S. National Science Foundation [CHE-0431312, ATM-0509248]; Chemical Sciences Division, of the Office of Basic Enegy Sciences, Department of Energy; Atmospheric Science Program of the Office of Biological and Environmental Research, Department of Energy FX The UCI researchers acknowledge support provided by U.S. National Science Foundation through the EMSI program, CHE-0431312, and Atmospheric Chemistry program, ATM-0509248. The Pacific Northwest National Laboratory (PNNL) research group acknowledges Support from the Chemical Sciences Division, of the Office of Basic Enegy Sciences, Department of Energy, and the Atmospheric Science Program of the Office of Biological and Environmental Research, Department of Energy. This work was performed at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Office of Biological and Environmental Research and located at PNNL. PNNL is operated for the U.S. Department of Energy by Battelle Memorial Institute under contract no. DE-AC0676RLO 1830. A.P.B. acknowledges sponsorship provided by the 2007 Summer Research Institute organized at PNNL. NR 30 TC 54 Z9 54 U1 3 U2 51 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD OCT 1 PY 2008 VL 42 IS 19 BP 7341 EP 7346 DI 10.1021/es801226w PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 353XX UT WOS:000259603700051 PM 18939568 ER PT J AU Kurien, S Wingate, B Taylor, MA AF Kurien, S. Wingate, B. Taylor, M. A. TI Anisotropic constraints on energy distribution in rotating and stratified turbulence SO EPL LA English DT Article ID DYNAMICS AB It is shown that for Boussinesq flows in which rotation and stratification are equally strong, the forward cascade of potential enstrophy constrains the spectral distribution of horizontal kinetic energy and potential energy. Horizontal kinetic energy is suppressed in the small-aspect-ratio wave modes, and potential energy in suppressed in the large-aspect-ratio wave modes. Scaling estimates based on phenomenological arguments yield scaling of k(h)(-3) and k(z)(-3), respectively, of the two spectra. High-resolution numerical simulations of the Boussinesq equations in the relevant parameter regimes show spectral scaling exponent closer to -4, and hence even stronger suppression than is predicted by dimensional estimates. Copyright (C) EPLA, 2008 C1 [Kurien, S.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Wingate, B.] Los Alamos Natl Lab, Comp & Computat Sci Div, Los Alamos, NM 87545 USA. [Taylor, M. A.] Sandia Natl Labs, Exploratory Simulat Technol, Albuquerque, NM 87185 USA. RP Kurien, S (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM skurien@lanl.gov FU DOE Office of Science Advanced Scientific Computing Research (ASCR) Program in Applied Mathematics Research; U. S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]; [NSF-DMS-0529596] FX We thank G. Eyink, J. Herring, L. Smith and J. SUKHATME for valuable discussions during the course of this work. The work was funded by DOE Office of Science Advanced Scientific Computing Research (ASCR) Program in Applied Mathematics Research, the National Nuclear Security Administration of the U. S. Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396, the Laboratory Directed Research and Development program. Support of NSF-DMS-0529596 is also acknowledged. NR 20 TC 8 Z9 8 U1 0 U2 0 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 OCT PY 2008 VL 84 IS 2 AR 24003 DI 10.1209/0295-5075/84/24003 PG 6 WC Physics, Multidisciplinary SC Physics GA 410SL UT WOS:000263598500017 ER PT J AU Wehling, TO Balatsky, AV Tsvelik, AM Katsnelson, MI Lichtenstein, AI AF Wehling, T. O. Balatsky, A. V. Tsvelik, A. M. Katsnelson, M. I. Lichtenstein, A. I. TI Midgap states in corrugated graphene: Ab initio calculations and effective field theory SO EPL LA English DT Article ID AUGMENTED-WAVE METHOD; ULTRASOFT PSEUDOPOTENTIALS; ELECTRONIC-STRUCTURE; SUSPENDED GRAPHENE; APPROXIMATION; SHEETS AB We investigate the electronic properties of corrugated graphene and show how rippling-induced pseudo-magnetic fields alter graphene's low-energy electronic properties by combining first-principle calculations with an effective field theory. The formation of. at bands near the Fermi level corresponding to pseudo-Landau levels is studied as a function of the rippling parameters. Quenched and relaxed ripples turn out to be fundamentally different is this respect: it is demonstrated, both numerically and analytically, that annealing of quenched ripples can destroy the. at bands. Copyright (C) EPLA, 2008 C1 [Wehling, T. O.; Lichtenstein, A. I.] Univ Hamburg, Inst Theoret Phys 1, D-20355 Hamburg, Germany. [Balatsky, A. V.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Balatsky, A. V.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Tsvelik, A. M.] Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. [Katsnelson, M. I.] Radboud Univ Nijmegen, Inst Mol & Mat, NL-6525 AJ Nijmegen, Netherlands. RP Wehling, TO (reprint author), Univ Hamburg, Inst Theoret Phys 1, Jungiusstr 9, D-20355 Hamburg, Germany. EM twehling@physnet.uni-hamburg.de RI Katsnelson, Mikhail/D-4359-2012; Wehling, Tim/O-4642-2014; Lichtenstein, Alexander/K-8730-2012 OI Wehling, Tim/0000-0002-5579-2231; Lichtenstein, Alexander/0000-0003-0152-7122 FU SFB 668 ( Germany); FOM ( The Netherlands); DOE at Los Alamos; US DOE [DE-AC02-98 CH 10886] FX The authors are thankful to A. Geim, K. Novoselov, and I. Aleiner for inspiring discussions. This work was supported by SFB 668 ( Germany), FOM ( The Netherlands) and DOE at Los Alamos. The authors acknowledge computer time from LANL ( USA) and HLRN ( Germany). TOW is grateful to LANL for hospitality during the visit, when the ideas presented in this work were set off. AMT acknowledges the support from US DOE under contract number DE-AC02-98 CH 10886. NR 30 TC 56 Z9 56 U1 1 U2 24 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 EI 1286-4854 J9 EPL-EUROPHYS LETT JI EPL PD OCT PY 2008 VL 84 IS 1 AR 17003 DI 10.1209/0295-5075/84/17003 PG 5 WC Physics, Multidisciplinary SC Physics GA 410SK UT WOS:000263598400030 ER PT J AU Abdullin, S Abramov, V Acharya, B Adam, N Adams, M Akchurin, N Akgun, U Albayrak, E Anderson, E Antchev, G Arcidy, M Ayan, S Aydin, S Aziz, T Baarmand, M Babich, K Baden, D Bakirci, M Banerjee, S Banerjee, S Bard, R Barnes, V Bawa, H Baiatian, G Bencze, G Beri, S Berntzon, L Bhandari, V Bhatnagar, V Bhatti, A Bodek, A Bose, S Bose, T Budd, H Burchesky, K Camporesi, T Cankocak, K Carrell, K Cerci, S Chendvankar, S Chung, Y Clarida, W Cremaldi, L Cushman, P Damgov, J de Barbaro, P Debbins, P Deliomeroglu, M Demianov, A de Visser, T Deshpande, P Diaz, J Dimitrov, L Dugad, S Dumanoglu, I Duru, F Efthymiopoulos, I Elias, J Elvira, D Emeliantchik, I Eno, S Ershov, A Erturk, S Esen, S Eskut, E Fenyvesi, A Fisher, W Freeman, J Ganguli, S Gaultney, V Gamsizkan, H Gavrilov, V Genchev, V Gleyzer, S Golutvin, I Goncharov, P Grassi, T Green, D Gribushin, A Grinev, B Guchait, M Gurtu, A Guler, AM Gulmez, E Gumus, K Haelen, T Hagopian, S Hagopian, V Halyo, V Hashemi, M Hauptman, J Hazen, E Heering, A Heister, A Hunt, A Ilyina, N Ingram, D Isiksal, E Jarvis, C Jeong, C Johnson, K Jones, J Kaftanov, V Kalagin, V Kalinin, A Kalmani, S Karmgard, D Kaur, M Kaya, M Kaya, O Kayis-Topaksu, A Kellogg, R Khmelnikov, A Kim, H Kisselevich, I Kodolova, O Kohli, J Kolossov, V Korablev, A Korneev, Y Kosarev, I Kramer, L Krinitsyn, A Krishnaswamy, M Krokhotin, A Kryshkin, V Kuleshov, S Kumar, A Kunori, S Laasanen, A Ladygin, V Laird, E Landsberg, G Laszlo, A Lawlor, C Lazic, D Lee, S Levchuk, L Linn, S Litvintsev, D Lobolo, L Los, S Lubinsky, V Lukanin, V Ma, Y Machado, E Maity, M Majumder, G Mans, J Marlow, D Markowitz, P Martinez, G Mazumdar, K Merlo, J Mermerkaya, H Mescheryakov, G Mestvirishvili, A Miller, M Moeller, A Mohammadi-Najafabadi, M Moissenz, P Mondal, N Mossolov, V Nagaraj, P Narasimham, V Norbeck, E Olson, J Onel, Y Onengut, G Ozkan, C Ozkurt, H Ozkorucuklu, S Ozok, F Paktinat, S Pal, A Patil, M Penzo, A Petrushanko, S Petrosyan, A Pikalov, V Piperov, S Podrasky, V Polatoz, A Pompos, A Popescu, S Posch, C Pozdnyakov, A Qian, W Ralich, R Reddy, L Reidy, J Rogalev, E Roh, Y Rohlf, J Ronzhin, A Ruchti, R Ryazanov, A Safronov, G Sanders, D Sanzeni, C Sarycheva, L Satyanarayana, B Schmidt, I Sekmen, S Semenov, S Senchishin, V Sergeyev, S Serin, M Sever, R Singh, B Singh, J Sirunyan, A Skuja, A Sharma, S Sherwood, B Shumeiko, N Smirnov, V Sogut, K Sonmez, N Sorokin, P Spezziga, M Stefanovich, R Stolin, V Sudhakar, K Sulak, L Suzuki, I Talov, V Teplov, K Thomas, R Tonwar, S Topakli, H Tully, C Turchanovich, L Ulyanov, A Vanini, A Vankov, I Vardanyan, I Varela, F Vergili, M Verma, P Vesztergombi, G Vidal, R Vishnevskiy, A Vlassov, E Vodopiyanov, I Volobouev, I Volkov, A Volodko, A Wang, L Werner, J Wetstein, M Winn, D Wigmans, R Whitmore, J Wu, S Yazgan, E Yetkin, T Zalan, P Zarubin, A Zeyrek, M AF Abdullin, S. Abramov, V. Acharya, B. Adam, N. Adams, M. Akchurin, N. Akgun, U. Albayrak, E. Anderson, E. W. Antchev, G. Arcidy, M. Ayan, S. Aydin, S. Aziz, T. Baarmand, M. Babich, K. Baden, D. Bakirci, M. N. Banerjee, Sudeshna Banerjee, Sunanda Bard, R. Barnes, V. Bawa, H. Baiatian, G. Bencze, G. Beri, S. Berntzon, L. Bhandari, V. Bhatnagar, V. Bhatti, A. Bodek, A. Bose, S. Bose, T. Budd, H. Burchesky, K. Camporesi, T. Cankocak, K. Carrell, K. Cerci, S. Chendvankar, S. Chung, Y. Clarida, W. Cremaldi, L. Cushman, P. Damgov, J. de Barbaro, P. Debbins, P. Deliomeroglu, M. Demianov, A. de Visser, T. Deshpande, P. V. Diaz, J. Dimitrov, L. Dugad, S. Dumanoglu, I. Duru, F. Efthymiopoulos, I. Elias, J. Elvira, D. Emeliantchik, I. Eno, S. Ershov, A. Erturk, S. Esen, S. Eskut, E. Fenyvesi, A. Fisher, W. Freeman, J. Ganguli, S. N. Gaultney, V. Gamsizkan, H. Gavrilov, V. Genchev, V. Gleyzer, S. Golutvin, I. Goncharov, P. Grassi, T. Green, D. Gribushin, A. Grinev, B. Guchait, M. Gurtu, A. Gueler, A. Murat Guelmez, E. Guemues, K. Haelen, T. Hagopian, S. Hagopian, V. Halyo, V. Hashemi, M. Hauptman, J. Hazen, E. Heering, A. Heister, A. Hunt, A. Ilyina, N. Ingram, D. Isiksal, E. Jarvis, C. Jeong, C. Johnson, K. Jones, J. Kaftanov, V. Kalagin, V. Kalinin, A. Kalmani, S. Karmgard, D. Kaur, M. Kaya, M. Kaya, O. Kayis-Topaksu, A. Kellogg, R. Khmelnikov, A. Kim, H. Kisselevich, I. Kodolova, O. Kohli, J. Kolossov, V. Korablev, A. Korneev, Y. Kosarev, I. Kramer, L. Krinitsyn, A. Krishnaswamy, M. R. Krokhotin, A. Kryshkin, V. Kuleshov, S. Kumar, A. Kunori, S. Laasanen, A. Ladygin, V. Laird, E. Landsberg, G. Laszlo, A. Lawlor, C. Lazic, D. Lee, S. W. Levchuk, L. Linn, S. Litvintsev, D. Lobolo, L. Los, S. Lubinsky, V. Lukanin, V. Ma, Y. Machado, E. Maity, M. Majumder, G. Mans, J. Marlow, D. Markowitz, P. Martinez, G. Mazumdar, K. Merlo, J. P. Mermerkaya, H. Mescheryakov, G. Mestvirishvili, A. Miller, M. Moeller, A. Mohammadi-Najafabadi, M. Moissenz, P. Mondal, N. Mossolov, V. Nagaraj, P. Narasimham, V. S. Norbeck, E. Olson, J. Onel, Y. Onengut, G. Ozkan, C. Ozkurt, H. Ozkorucuklu, S. Ozok, F. Paktinat, S. Pal, A. Patil, M. Penzo, A. Petrushanko, S. Petrosyan, A. Pikalov, V. Piperov, S. Podrasky, V. Polatoz, A. Pompos, A. Popescu, S. Posch, C. Pozdnyakov, A. Qian, W. Ralich, R. M. Reddy, L. Reidy, J. Rogalev, E. Roh, Y. Rohlf, J. Ronzhin, A. Ruchti, R. Ryazanov, A. Safronov, G. Sanders, D. A. Sanzeni, C. Sarycheva, L. Satyanarayana, B. Schmidt, I. Sekmen, S. Semenov, S. Senchishin, V. Sergeyev, S. Serin, M. Sever, R. Singh, B. Singh, J. B. Sirunyan, A. Skuja, A. Sharma, S. Sherwood, B. Shumeiko, N. Smirnov, V. Sogut, K. Sonmez, N. Sorokin, P. Spezziga, M. Stefanovich, R. Stolin, V. Sudhakar, K. Sulak, L. Suzuki, I. Talov, V. Teplov, K. Thomas, R. Tonwar, S. Topakli, H. Tully, C. Turchanovich, L. Ulyanov, A. Vanini, A. Vankov, I. Vardanyan, I. Varela, F. Vergili, M. Verma, P. Vesztergombi, G. Vidal, R. Vishnevskiy, A. Vlassov, E. Vodopiyanov, I. Volobouev, I. Volkov, A. Volodko, A. Wang, L. Werner, J. Wetstein, M. Winn, D. Wigmans, R. Whitmore, J. Wu, S. X. Yazgan, E. Yetkin, T. Zalan, P. Zarubin, A. Zeyrek, M. CA CMS HCAL Collaborations TI Design, performance, and calibration of the CMS hadron-outer calorimeter SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article AB The Outer Hadron Calorimeter (HCAL HO) of the CMS detector is designed to measure the energy that is not contained by the barrel (HCAL HB) and electromagnetic (ECAL EB) calorimeters. Due to space limitation the barrel calorimeters do not contain completely the hadronic shower and an outer calorimeter (HO) was designed, constructed and inserted in the muon system of CMS to measure the energy leakage. Testing and calibration of the HO was carried out in a 300 GeV/c test beam that improved the linearity and resolution. HO will provide a net improvement in missing E (T) measurements at LHC energies. Information from HO will also be used for the muon trigger in CMS. C1 [Abdullin, S.; Gavrilov, V.; Ilyina, N.; Kaftanov, V.; Kisselevich, I.; Kolossov, V.; Krokhotin, A.; Kuleshov, S.; Litvintsev, D.; Pozdnyakov, A.; Safronov, G.; Semenov, S.; Stolin, V.; Ulyanov, A.; Vlassov, E.] ITEP, Moscow, Russia. [Baiatian, G.; Sirunyan, A.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Emeliantchik, I.; Mossolov, V.; Shumeiko, N.; Stefanovich, R.] NCPHEP, Minsk, Byelarus. [Damgov, J.; Dimitrov, L.; Genchev, V.; Piperov, S.; Vankov, I.] Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, Sofia, Bulgaria. [Bencze, G.; Laszlo, A.; Pal, A.; Vesztergombi, G.; Zalan, P.] Res Inst Particle & Nucl Phys, KFKI RMKI, Budapest, Hungary. [Fenyvesi, A.] ATOMKI, Debrecen, Hungary. [Bawa, H.; Beri, S.; Bhandari, V.; Bhatnagar, V.; Kaur, M.; Kohli, J.; Kumar, A.; Singh, J. B.; Sharma, S.] Panjab Univ, Chandigarh 160014, India. [Acharya, B.; Aziz, T.; Banerjee, Sudeshna; Banerjee, Sunanda; Chendvankar, S.; Deshpande, P. V.; Dugad, S.; Ganguli, S. N.; Guchait, M.; Gurtu, A.; Kalmani, S.; Krishnaswamy, M. R.; Maity, M.; Majumder, G.; Mazumdar, K.; Mondal, N.; Nagaraj, P.; Narasimham, V. S.; Patil, M.; Reddy, L.; Satyanarayana, B.; Sudhakar, K.; Verma, P.] Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. [Hashemi, M.; Mohammadi-Najafabadi, M.; Paktinat, S.] Sharif Univ Technol, Inst Studies Theoret Phys, Tehran, Iran. [Penzo, A.] Univ Trieste, Sez INFN, Trieste, Italy. [Babich, K.; Golutvin, I.; Kalagin, V.; Kosarev, I.; Ladygin, V.; Mescheryakov, G.; Moissenz, P.; Petrosyan, A.; Rogalev, E.; Smirnov, V.; Vishnevskiy, A.; Volodko, A.; Zarubin, A.] Joint Inst Nucl Res Dubna, Dubna, Russia. [Demianov, A.; Ershov, A.; Gribushin, A.; Kodolova, O.; Petrushanko, S.; Sarycheva, L.; Teplov, K.; Vardanyan, I.] Moscow MV Lomonosov State Univ, Moscow, Russia. [Abramov, V.; Goncharov, P.; Kalinin, A.; Khmelnikov, A.; Korablev, A.; Korneev, Y.; Kryshkin, V.; Lukanin, V.; Pikalov, V.; Ryazanov, A.; Talov, V.; Turchanovich, L.; Volkov, A.] IHEP, Protvino, Russia. [Camporesi, T.; de Visser, T.; Efthymiopoulos, I.; Vlassov, E.] CERN, Geneva, Switzerland. [Aydin, S.; Bakirci, M. N.; Cerci, S.; Dumanoglu, I.; Erturk, S.; Eskut, E.; Kayis-Topaksu, A.; 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. [Cankocak, K.; Deliomeroglu, M.; Guelmez, E.; Isiksal, E.; Kaya, M.; Kaya, O.; Ozkorucuklu, S.; Sonmez, N.] Middle E Tech Univ, TR-06531 Ankara, Turkey. [Levchuk, L.; Sorokin, P.] KIPT, Kharkov, Ukraine. [Grinev, B.; Lubinsky, V.; Senchishin, V.] Kharkov Single Crystals Inst, UA-310141 Kharkov, Ukraine. [Anderson, E. W.; Hauptman, J.] Iowa State Univ, Ames, IA USA. [Damgov, J.; Elias, J.; Elvira, D.; Freeman, J.; Green, D.; Litvintsev, 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.; Heering, A.; 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. [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.; Skuja, A.; Wetstein, M.] Univ Maryland, College Pk, MD 20742 USA. [Podrasky, V.; Sanzeni, C.; Winn, D.] Fairfield Univ, Fairfield, CT 06430 USA. [Akgun, U.; Albayrak, E.; Ayan, S.; Cankocak, K.; 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. [Akchurin, N.; Berntzon, L.; Carrell, K.; Guelmez, E.; Jeong, C.; Kim, H.; Lee, S. W.; Popescu, S.; Roh, Y.; Spezziga, M.; Thomas, R.; Tonwar, S.; Volobouev, I.; Wigmans, R.; Yazgan, E.] Texas Tech Univ, Lubbock, TX 79409 USA. [Baarmand, M.; Mermerkaya, H.; Ralich, R. M.; Vodopiyanov, I.; Wang, L.] 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.; Heering, A.; Ma, Y.; Mans, J.; Sherwood, B.] Univ Minnesota, Minneapolis, MN USA. [Bhatti, A.] Rockefeller Univ, New York, NY 10021 USA. [Karmgard, D.; Ruchti, R.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Cremaldi, L.; Reidy, J.; Sanders, D. A.] Univ Mississippi, Oxford, MS USA. [Adam, N.; Fisher, W.; Halyo, V.; Hunt, A.; Jones, J.; Laird, E.; Landsberg, G.; Mans, J.; Marlow, D.; Tully, C.; Werner, J.] Princeton Univ, Princeton, NJ 08544 USA. [Bose, T.; Esen, S.; Vanini, A.] Brown Univ, Providence, RI 02912 USA. [Bodek, A.; Budd, H.; Chung, Y.; de Barbaro, P.; Haelen, T.] Univ Rochester, Rochester, NY USA. [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. RP Abdullin, S (reprint author), ITEP, Moscow, Russia. EM Sunanda.Banerjee@cern.ch RI Kodolova, Olga/D-7158-2012; Demianov, Andrei/E-4565-2012; Petrushanko, Sergey/D-6880-2012; Kuleshov, Sergey/D-9940-2013; Gumus, Kazim/G-2498-2013; Fisher, Wade/N-4491-2013; Marlow, Daniel/C-9132-2014; Gribushin, Andrei/J-4225-2012; Gulmez, Erhan/P-9518-2015; Vardanyan, Irina/K-7981-2012; Bheesette, Satyanarayana/A-1360-2013; Yazgan, Efe/C-4521-2014; OI Kuleshov, Sergey/0000-0002-3065-326X; Gumus, Kazim/0000-0002-1450-6868; Gulmez, Erhan/0000-0002-6353-518X; Yazgan, Efe/0000-0001-5732-7950; Baarmand, Marc/0000-0002-9792-8619; Landsberg, Greg/0000-0002-4184-9380; Uliyanov, Alexey/0000-0001-6935-8949; Sogut, Kenan/0000-0002-9682-2855 FU CERN; Department of Atomic Energy; Department of Science and Technology of India; U. S. Department of Energy; U. S. National Science Foundation; RMKI-KFKI (Hungary); OTKA [T 016823]; Federal Agency for Science and Innovations of the Ministry for Education and Science of the Russian Federation; Russian Academy of Sciences; Scientific and Technical Research Council of Turkey (TUBITAK); Turkish Atomic Energy Agency (TAEK); Bogazici University [04B301] FX The results presented in this paper are partially based on the doctoral thesis of Seema Sharma [ 8]. 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), Federal Agency for Science and Innovations of the Ministry for Education and Science of the Russian Federation, Russian Academy of Sciences, Scientific and Technical Research Council of Turkey (TUBITAK), Turkish Atomic Energy Agency (TAEK), Bogazici University Research Grant ( Grant no: 04B301). NR 8 TC 8 Z9 8 U1 2 U2 12 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6044 J9 EUR PHYS J C JI Eur. Phys. J. C PD OCT PY 2008 VL 57 IS 3 BP 653 EP 663 DI 10.1140/epjc/s10052-008-0756-6 PG 11 WC Physics, Particles & Fields SC Physics GA 387LS UT WOS:000261954300016 ER PT J AU Cingoz, A Leefer, NA Ferrell, SJ Lapierre, A Nguyen, AT Yashchuk, VV Budker, D Lamoreaux, SK Torgerson, JR AF Cingoz, A. Leefer, N. A. Ferrell, S. J. Lapierre, A. Nguyen, A. -T Yashchuk, V. V. Budker, D. Lamoreaux, S. K. Torgerson, J. R. TI A laboratory search for variation of the fine-structure constant using atomic dysprosium SO EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS LA English DT Article AB Electric-dipole transitions between nearly degenerate, opposite parity levels of atomic dysprosium (Dy) were monitored over an eight-month period to search for a variation in the. ne-structure constant, a. The frequencies of these transitions are sensitive to variation of a due to large relativistic corrections of opposite sign for the opposite-parity levels. In this unique system, in contrast to atomic-clock comparisons, the difference of the electronic energies of the opposite-parity levels can be monitored directly utilizing a radio-frequency (rf), electric-dipole transition between them. Our measurements for the frequency variation of the 3.1-MHz transition in 163 Dy and the 235-MHz transition in 162 Dy can be analyzed for both a temporal variation and a gravitational-potential dependence of a since, during the data acquisition period, the Earth is located at different values of the gravitational potential of the Sun. The data provide a rate of fractional temporal variation of a of (-2.7 +/- 2.6) x 10(-15) yr(-1) or a value of (-8.7 +/- 6.6) x 10(-6) for k(alpha), the linear-variation coefficient for a in a changing gravitational potential. These results are independent of assumptions regarding variation of other fundamental constants. The latter result can be combined with other experimental constraints to extract the first limits on k(e) and k(q), which characterize the variation of m(e)/m(p) and m(q)/m(p) in a changing gravitational potential, where m(e), m(p), and m(q) are electron, proton, and quark masses. All results indicate the absence of significant variation at the present level of sensitivity. C1 [Cingoz, A.; Leefer, N. A.; Ferrell, S. J.; Budker, D.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Lapierre, A.] TRIUMF Natl Lab, Vancouver, BC V6T 2A3, Canada. [Nguyen, A. -T] Univ Pittsburgh, Dept Neurobiol, Pittsburgh, PA 15213 USA. [Yashchuk, V. V.; Budker, D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Lamoreaux, S. K.] Yale Univ, Dept Phys, New Haven, CT 06520 USA. [Torgerson, J. R.] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. RP Cingoz, A (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Budker, Dmitry/F-7580-2016 OI Budker, Dmitry/0000-0002-7356-4814 NR 39 TC 4 Z9 4 U1 1 U2 4 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1951-6355 EI 1951-6401 J9 EUR PHYS J-SPEC TOP JI Eur. Phys. J.-Spec. Top. PD OCT PY 2008 VL 163 BP 71 EP 88 DI 10.1140/epjst/e2008-00810-0 PG 18 WC Physics, Multidisciplinary SC Physics GA 372GG UT WOS:000260889500006 ER PT J AU Cease, H Diehl, HT Estrada, J Flaugher, B Scarpine, V AF Cease, H. Diehl, H. T. Estrada, J. Flaugher, B. Scarpine, V. TI Measurements of charge diffusion in deep-depletion CCDs by optical diffraction SO EXPERIMENTAL ASTRONOMY LA English DT Article DE CCD; diffusion; DES; detectors; fully depleted; DECam AB The charge diffusion is measured in back illuminated, fully depleted, 250 mu m thick CCDs by imaging the diffraction pattern of a double slit. The CCDs studied are the focal plane detectors for the dark energy camera (DECam) instrument currently under construction for the dark energy survey (DES). The results presented here indicate that the dispersion of charge due to diffusion can be kept below the DES specification (sigma(d)< 7.0 mu m ). C1 [Cease, H.; Diehl, H. T.; Estrada, J.; Flaugher, B.; Scarpine, V.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Estrada, J (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM estrada@fnal.gov NR 13 TC 2 Z9 2 U1 0 U2 1 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0922-6435 J9 EXP ASTRON JI Exp. Astron. PD OCT PY 2008 VL 22 IS 1-2 BP 41 EP 49 DI 10.1007/s10686-007-9081-6 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 348ZC UT WOS:000259247600002 ER PT J AU Ng, AKL Zhang, HM Tan, KM Li, ZL Liu, JH Chan, PKS Li, SM Chan, WY Au, SWN Joachimiak, A Walz, T Wang, JH Shaw, PC AF Ng, Andy Ka-Leung Zhang, Hongmin Tan, Kemin Li, Zongli Liu, Jin-Huan Chan, Paul Kay-Sheung Li, Sui-Mui Chan, Wood-Yee Au, Shannon Wing-Ngor Joachimiak, Andrzej Walz, Thomas Wang, Jia-Huai Shaw, Pang-Chui TI Structure of the influenza virus A H5N1 nucleoprotein: implications for RNA binding, oligomerization, and vaccine design SO FASEB JOURNAL LA English DT Article DE protein-RNA interaction; crystal structure; trimerization ID CYTOTOXIC T-LYMPHOCYTES; LIMIT ESCAPE; POLYMERASE; COMPLEX; IDENTIFICATION; TRANSCRIPTION; PROTEINS; ROLES; MODEL; NP AB The threat of a pandemic outbreak of influenza virus A H5N1 has become a major concern worldwide. The nucleoprotein (NP) of the virus binds the RNA genome and acts as a key adaptor between the virus and the host cell. It, therefore, plays an important structural and functional role and represents an attractive drug target. Here, we report the 3.3-angstrom crystal structure of H5N1 NP, which is composed of a head domain, a body domain, and a tail loop. Our structure resolves the important linker segments (residues 397401, 429-437) that connect the tail loop with the remainder of the molecule and a flexible, basic loop (residues 73-91) located in an arginine-rich groove surrounding Arg150. Using surface plasmon resonance, we found the basic loop and arginine-rich groove, but mostly a protruding element containing Arg174 and Arg175, to be important in RNA binding by NP. We also used our crystal structure to build a ring-shaped assembly of nine NP subunits to model the miniribonucleo-protein particle previously visualized by electron microscopy. Our study of H5N1 NP provides insight into the oligomerization interface and the RNA-binding groove, which are attractive drug targets, and it identifies the epitopes that might be used for universal vaccine development. C1 [Ng, Andy Ka-Leung; Li, Sui-Mui; Au, Shannon Wing-Ngor; Shaw, Pang-Chui] Chinese Univ Hong Kong, Dept Biochem, Shatin, Hong Kong, Peoples R China. [Ng, Andy Ka-Leung; Shaw, Pang-Chui] Chinese Univ Hong Kong, Mol Biotechnol Program, Shatin, Hong Kong, Peoples R China. [Ng, Andy Ka-Leung; Li, Sui-Mui; Au, Shannon Wing-Ngor; Shaw, Pang-Chui] Chinese Univ Hong Kong, Ctr Prot Sci & Crystallog, Shatin, Hong Kong, Peoples R China. [Chan, Paul Kay-Sheung] Chinese Univ Hong Kong, Dept Microbiol, Shatin, Hong Kong, Peoples R China. [Chan, Wood-Yee] Chinese Univ Hong Kong, Dept Anat, Shatin, Hong Kong, Peoples R China. [Li, Zongli; Walz, Thomas] Harvard Univ, Sch Med, Dept Cell Biol, Boston, MA 02115 USA. [Tan, Kemin; Joachimiak, Andrzej] Argonne Natl Lab, Midwest Ctr Struct Genom, Argonne, IL 60439 USA. [Tan, Kemin; Joachimiak, Andrzej] Argonne Natl Lab, Struct Biol Ctr, Argonne, IL 60439 USA. [Zhang, Hongmin; Liu, Jin-Huan; Wang, Jia-Huai] Harvard Univ, Dana Farber Canc Inst, Dept Med Oncol, Sch Med,Dept Pediat,Dept Biol Chem & Mol Pharmaco, Boston, MA 02115 USA. RP Shaw, PC (reprint author), Chinese Univ Hong Kong, Dept Biochem, Shatin, Hong Kong, Peoples R China. EM pcshaw@cuhk.edu.hk RI Zhang, Hongmin/C-4503-2009; Chan, Paul/J-9360-2013 OI Zhang, Hongmin/0000-0001-6357-4106; FU Chinese University [CUHK 472808]; HK-SAR; National Institutes of Health (NIH); Giovanni Armenise Harvard Center for Strucutural Biology FX This work was supported by a Direct Research grant from the Chinese University and a General Research Fund grant (CUHK 472808) from the Research Grants Council of HK-SAR (P.-C.S.), a subcontracted National Institutes of Health (NIH) grant, and the Claudia Adams Barr Program in Cancer Research (J.-H.W.). The molecular EM facility at Harvard Medical School was established with it generous donation from the Giovanni Armenise Harvard Center for Strucutural Biology and is maintained with funds from NIH (T.W.), The authors (flank Professor Ming Luo for advice on the manuscript. NR 40 TC 125 Z9 132 U1 1 U2 17 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 OCT PY 2008 VL 22 IS 10 BP 3638 EP 3647 DI 10.1096/fj.08-112110 PG 10 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA 354MB UT WOS:000259642600025 PM 18614582 ER PT J AU Mela, F Fritsche, K Boersma, H van Elsas, JD Bartels, D Meyer, F de Boer, W van Veen, JA Leveau, JHJ AF Mela, Francesca Fritsche, Kathrin Boersma, Hidde van Elsas, Jan D. Bartels, Daniela Meyer, Folker de Boer, Wietse van Veen, Johannes A. Leveau, Johan H. J. TI Comparative genomics of the pIPO2/pSB102 family of environmental plasmids: sequence, evolution, and ecology of pTer331 isolated from Collimonas fungivorans Ter331 SO FEMS MICROBIOLOGY ECOLOGY LA English DT Article DE environmental plasmids; comparative genomics; horizontal gene transfer; plasmid evolution ID MOBILE GENETIC ELEMENTS; COMPLETE NUCLEOTIDE-SEQUENCE; HOST-RANGE PLASMIDS; BACTERIAL CONJUGATION; AGROBACTERIUM-TUMEFACIENS; RHIZOSPHERE COLONIZATION; WHEAT RHIZOSPHERE; ESCHERICHIA-COLI; FUNGAL HYPHAE; SELFISH DNA AB Plasmid pTer331 from the bacterium Collimonas fungivorans Ter331 is a new member of the pIPO2/pSB102 family of environmental plasmids. The 40 457-bp sequence of pTer331 codes for 44 putative ORFs, most of which represent genes involved in replication, partitioning and transfer of the plasmid. We confirmed that pTer331 is stably maintained in its native host. Deletion analysis identified a mini-replicon capable of replicating autonomously in Escherichia coli and Pseudomonas putida. Furthermore, plasmid pTer331 was able to mobilize and retromobilize IncQ plasmid pSM1890 at typical rates of 10(-4) and 10(-8), respectively. Analysis of the 91% DNA sequence identity between pTer331 and pIPO2 revealed functional conservation of coding sequences, the deletion of DNA fragments flanked by short direct repeats (DR), and sequence preservation of long DRs. In addition, we experimentally established that pTer331 has no obvious contribution in several of the phenotypes that are characteristic of its host C. fungivorans Ter331, including the ability to efficiently colonize plant roots. Based on our findings, we hypothesize that cryptic plasmids such as pTer331 and pIPO2 might not confer an individual advantage to bacteria, but, due to their broad-host-range and ability to retromobilize, benefit bacterial populations by accelerating the intracommunal dissemination of the mobile gene pool. C1 [Mela, Francesca; Fritsche, Kathrin; de Boer, Wietse; van Veen, Johannes A.; Leveau, Johan H. J.] Netherlands Inst Ecol, NIOO KNAW, Ctr Terr Ecol, NL-6666 GA Heteren, Netherlands. [Boersma, Hidde; van Elsas, Jan D.] Univ Groningen, Dept Microbial Ecol, Haren, Netherlands. [Bartels, Daniela; Meyer, Folker] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Leveau, JHJ (reprint author), Netherlands Inst Ecol, NIOO KNAW, Ctr Terr Ecol, Boterhoeksestr 48, NL-6666 GA Heteren, Netherlands. EM j.leveau@nioo.knaw.nl RI de Boer, Wietse/C-2737-2011; van Veen, Johannes/C-3697-2011; Leveau, Johan/C-1096-2012; OI de Boer, Wietse/0000-0002-5380-2993; Meyer, Folker/0000-0003-1112-2284 FU Vernieuwingsfonds of the Royal Netherlands Academy of Sciences and Arts (KNAW); Netherlands Genomics Initiative (NGI) FX The authors acknowledge financial support from the Vernieuwingsfonds of the Royal Netherlands Academy of Sciences and Arts (KNAW) and from the Netherlands Genomics Initiative (NGI) as part of the Ecogenomics cluster. Strain E. coli CV601 (pSM1890) was provided by Dr K. Smalla (Biologische Bundesanstalt, Braunschweig). We also thank Faina Kamilova and Shamil Validov for their help with the tomato root colonization experiments. NR 86 TC 20 Z9 20 U1 0 U2 10 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0168-6496 J9 FEMS MICROBIOL ECOL JI FEMS Microbiol. Ecol. PD OCT PY 2008 VL 66 IS 1 BP 45 EP 62 DI 10.1111/j.1574-6941.2008.00472.x PG 18 WC Microbiology SC Microbiology GA 348LA UT WOS:000259210800006 PM 18355297 ER PT J AU Jaderlund, L Arthurson, V Granhall, U Jansson, JK AF Jaederlund, Lotta Arthurson, Veronica Granhall, Ulf Jansson, Janet K. TI Specific interactions between arbuscular mycorrhizal fungi and plant growth-promoting bacteria: as revealed by different combinations SO FEMS MICROBIOLOGY LETTERS LA English DT Article DE arbuscular mycorrhizal fungi; Pseudomonas fluorescens SBW25; Paenibacillus brasilensis PB177; microbial interactions; plant growth-promoting bacteria; Microdochium nivale ID PSEUDOMONAS-FLUORESCENS SBW25; BIOLOGICAL-CONTROL; RHIZOSPHERE; RHIZOBACTERIA; COLONIZATION; BIOCONTROL; HYPHAE; WHEAT AB The interactions between two plant growth-promoting rhizobacteria (PGPR, Pseudomonas fluorescens SBW25 and Paenibacillus brasilensis PB177), two arbuscular mycorrhizal (AM) fungi (Glomus mosseae and Glomus intraradices) and one pathogenic fungus (Microdochium nivale) were investigated on winter wheat (Triticum aestivum cultivar Tarso) in a greenhouse trial. PB177, but not SBW25, had strong inhibitory effects on M. nivale in dual culture plate assays. The results from the greenhouse experiment show very specific interactions; for example, the two AM fungi react differently when interacting with the same bacteria on plants. Glomus intraradices (single inoculation or together with SBW25) increased plant dry weight on M. nivale-infested plants, suggesting that the pathogenic fungus is counteracted by G. intraradices, but PB177 inhibited this positive effect. This is an example of two completely different reactions between the same AM fungus and two species of bacteria, previously known to enhance plant growth and inhibit pathogens. When searching for plant growth-promoting microorganisms, it is therefore important to test for the most suitable combination of plant, bacteria and fungi in order to achieve satisfactory plant growth benefits. C1 [Jansson, Janet K.] Lawrence Berkeley Natl Lab, Dept Ecol, Div Earth Sci, Berkeley, CA 94720 USA. [Jaederlund, Lotta; Arthurson, Veronica; Granhall, Ulf; Jansson, Janet K.] Swedish Univ Agr Sci, Dept Microbiol, S-75007 Uppsala, Sweden. RP Jansson, JK (reprint author), Lawrence Berkeley Natl Lab, Dept Ecol, Div Earth Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM jrjansson@lbl.gov FU Swedish Research Council for Environment; Agricultural Sciences and Spatial Planning (FORMAS); US Department of Energy [DE-AC02-05CH11231]; Lawrence Berkeley National Laboratory FX Urban Pettersson and Jens Levenfors are thanked for their advice and assistance with the greenhouse experiments. This study was funded by the Swedish Research Council for Environment, Agricultural Sciences and Spatial Planning (FORMAS) and in part by the US Department of Energy Contract DE-AC02-05CH11231 with the Lawrence Berkeley National Laboratory. NR 22 TC 16 Z9 19 U1 6 U2 27 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0378-1097 J9 FEMS MICROBIOL LETT JI FEMS Microbiol. Lett. PD OCT PY 2008 VL 287 IS 2 BP 174 EP 180 DI 10.1111/j.1574-6968.2008.01318.x PG 7 WC Microbiology SC Microbiology GA 346RO UT WOS:000259087100006 PM 18754788 ER PT J AU Marsh, GE AF Marsh, Gerald E. TI Charge, Geometry, and Effective Mass in the Kerr-Newman Solution to the Einstein Field Equations SO FOUNDATIONS OF PHYSICS LA English DT Article DE Kerr-Newman; Charge; Curvature ID ROTATING BLACK-HOLE; MAGNETIC-FIELD AB It has been shown that for the Reissner-Nordstrom solution to the vacuum Einstein field equations charge, like mass, has a unique space-time signature (Marsh, Found. Phys. 38:293-300, 2008). The presence of charge results in a negative curvature. This work, which includes a discussion of effective mass, is extended here to the Kerr-Newman solution. C1 Argonne Natl Lab Ret, Chicago, IL 60615 USA. RP Marsh, GE (reprint author), Argonne Natl Lab Ret, 5433 E View Pk, Chicago, IL 60615 USA. EM gemarsh@uchicago.edu NR 12 TC 0 Z9 0 U1 2 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0015-9018 J9 FOUND PHYS JI Found. Phys. PD OCT PY 2008 VL 38 IS 10 BP 959 EP 968 DI 10.1007/s10701-008-9245-x PG 10 WC Physics, Multidisciplinary SC Physics GA 363PW UT WOS:000260280200006 ER PT J AU Sholklapper, TZ Jacobson, CP Visco, SJ De Jonghe, LC AF Sholklapper, T. Z. Jacobson, C. P. Visco, S. J. De Jonghe, L. C. TI Synthesis of Dispersed and Contiguous Nanoparticles in Solid Oxide Fuel Cell Electrodes SO FUEL CELLS LA English DT Article DE Anode; Cathode; Nanoparticle; Impregnation; Infiltration; Solid oxide fuel cell ID HIGH-PERFORMANCE CATHODE; METAL-SUPPORTED SOFCS; ANODE; IMPREGNATION; FABRICATION; PEROVSKITE; CATALYSTS; METHANOL; SYSTEM; FILTER AB Solid oxide fuel cell (SOFC) electrodes, after their high temperature sintering, may be impregnated (infiltrated) to deposit nanoparticles within their pores. There are two main motivations for modifying the electrodes: (i) to add catalytic function, and (ii) to enhance electronic or ionic conduction pathways, since either or both may not be sufficient within the as-sintered electrodes. The impregnated particles take on two configurations: dispersed or connected. While dispersed nanoparticles introduce catalysts, connected nanoparticulate networks can add conduction paths in addition to enhancing catalysis. This paper reviews the prevalent SOFC electrode types, the function of the impregnated nanoparticles, and the common impregnation methods. Specific attention is given to the optimal uses of each method, with positives and negatives addressed for each. C1 [Sholklapper, T. Z.; Jacobson, C. P.; Visco, S. J.; De Jonghe, L. C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Sholklapper, T. Z.; De Jonghe, L. C.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Sholklapper, TZ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, 1 Cyclotron Rd,Bldg 62-R0203, Berkeley, CA 94720 USA. EM TZSholklapper@lbl.gov FU US Department of Energy's (DOE) Solid State Energy Conversion Alliance (SECA) core technology program [DE-AC02-05CH11231] FX This work was supported by the US Department of Energy's (DOE) Solid State Energy Conversion Alliance (SECA) core technology program under contract no. DE-AC02-05CH11231. NR 41 TC 65 Z9 66 U1 3 U2 47 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1615-6846 EI 1615-6854 J9 FUEL CELLS JI Fuel Cells PD OCT PY 2008 VL 8 IS 5 BP 303 EP 312 DI 10.1002/fuce.200800030 PG 10 WC Electrochemistry; Energy & Fuels SC Electrochemistry; Energy & Fuels GA 365RU UT WOS:000260426300004 ER PT J AU Ku, LP Garabedian, PR Lyon, J Turnbull, A Grossman, A Maw, TK Zarnstorff, M AF Ku, L. P. Garabedian, P. R. Lyon, J. Turnbull, A. Grossman, A. Maw, T. K. Zarnstorff, M. CA Aries Team TI Physics design for ARIES-CS SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article DE power plant studies; quasi-axisymmetric stellarators; configuration optimization ID LARGE HELICAL DEVICE; COMPACT STELLARATORS; ENERGY CONFINEMENT; TOKAMAK TRANSPORT; DENSITY LIMIT; STABILITY; CONFIGURATIONS; EQUILIBRIUM; PLASMAS AB Novel stellarator configurations have been developed for ARIES-CS. These configurations are optimized to provide good plasma confinement and flux surface integrity at high beta. Modular coils have been designed for them in which the space needed for the breeding blanket and radiation shielding was specifically targeted such that reactors generating GW electrical powers would require only moderate major radii (<10 m). These configurations are quasi-axially symmetric in the magnetic field topology and have small numbers of field periods (<= 3) and low aspect ratios (<= 6). The baseline design chosen for detailed systems and power plant studies has three field periods, aspect ratio 4.5, and major radius 7.5 m operating at beta similar to 6.5% to yield 1 GW of electric power. The shaping of the plasma accounts for >= 75% of the rotational transform. The effective helical ripples are very small (<0.6% everywhere), and the energy loss of alpha particles is calculated to be <= 5% when operating in high-density regimes. An interesting feature in this configuration is that instead of minimizing all residues in the magnetic spectrum, we preferentially retained a small amount of the nonaxisymmetric mirror field. The presence of this mirror and its associated helical field alters the ripple distribution, resulting in the reduced ripple-trapped loss of alpha particles despite the long connection length in a tokamak-like field structure. Additionally, we discuss two other potentially attractive classes of configurations, both quasi-axisymmetrie: one with only two field periods, very low aspect ratios (similar to 2.5), and less complex coils, and the other with the plasma shaping designed to produce low-shear rotational transform so as to ensure the robustness and integrity of flux surfaces when operating at high beta. C1 [Ku, L. P.; Zarnstorff, M.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Garabedian, P. R.] NYU, Courant Inst Math Sci, New York, NY 10012 USA. [Lyon, J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Turnbull, A.] Gen Atom Co, San Diego, CA 92186 USA. [Grossman, A.; Maw, T. K.] Univ Calif San Diego, La Jolla, CA 92093 USA. RP Ku, LP (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM lpku@pppl.gov FU U.S. Department of Energy [AC02-76-CHO-3073, DE-FG02-86ER53223, DE-AC05-00OR22725, DE-FC03-95-ER54299] FX This work was supported by U.S. Department of Energy contracts DE-AC02-76-CHO-3073 (Princeton Plasma Physics Laboratory), DE-FG02-86ER53223 (Courant Institute of Mathematical Sciences), DE-AC05-00OR22725 (Oak Ridge National Laboratory), DE-AC03-98ER54411 (General Atomics), and DE-FC03-95-ER54299 (University of California, San Diego). We thank A. Cooper, S. P. Hirshman, R. Sanchez, A. Reiman, and R. White for providing the computer codes TERPSICHORE, VMEC,COBRA, PIES, and ORBIT3D, respectively. NR 51 TC 14 Z9 14 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 EI 1943-7641 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD OCT PY 2008 VL 54 IS 3 BP 673 EP 693 PG 21 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 353GY UT WOS:000259555400003 ER PT J AU Lyon, JF Ku, LP El-Guebaly, L Bromberg, L Waganer, LM Zarnstorff, MC AF Lyon, J. F. Ku, L. P. El-Guebaly, L. Bromberg, L. Waganer, L. M. Zarnstorff, M. C. CA ARIES CS Team TI Systems studies and optimization of the ARIES-CS power plant SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article DE compact stellarator; fusion power plant; parameter optimization ID ENERGY CONFINEMENT; PHYSICS ISSUES; DENSITY LIMIT; STELLARATOR; REACTOR; TOKAMAK; DESIGN; BETA AB A stellarator systems/optimization code is used to optimize the ARIES-CS fusion power plant parameters for minimum cost of electricity subject to a large number of physics, engineering, and in-vessel component constraints for a compact stellarator configuration. Different physics models, reactor component models, and costing algorithms are used to test sensitivities to models and assumptions. The most important factors determining the size of the fusion power core are the allowable neutron and radiative power fluxes to the wall, the distance needed between the edge of the plasma and the nonplanar magnetic field coils for the intervening components, and an adequate tritium breeding ratio. The magnetic field and coil parameters are determined from both plasma performance and constraints on the Nb3Sn superconductor. The same costing approach and algorithms used in previous ARIES studies are used with updated material costs. The result is a compact stellarator reactor with a major radius close to that of tokamaks. A one-dimensional power balance code is used to study the path to ignition and the effect of different plasma and confinement assumptions on plasma performance for the reference plasma and coil configuration. A number of variations are studied that affect the size and cost of the fusion power core: maximum field at the coils, component cost penalties, a different blanket and shield approach, alternative plasma and coil configurations, etc. Comparisons are made with some earlier ARIES power plant studies. A number of issues for the development of compact quasi-axisymmetric stellarators are identified. C1 [Lyon, J. F.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Ku, L. P.; Zarnstorff, M. C.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [El-Guebaly, L.] Univ Wisconsin, Madison, WI 53706 USA. [Bromberg, L.] MIT, Cambridge, MA 02139 USA. [Waganer, L. M.] Boeing Co, St Louis, MO 63166 USA. RP Lyon, JF (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM lyonjf@ornl.gov FU U.S. Department of Energy [DE-AC05-00OR22725] FX This research was supported by the U.S. Department of Energy under contract DE-AC05-00OR22725 with UT Battelle, LLC. The authors have benefited from discussions with other members of the ARIES-CS group, particularly F. Najmabadi, R. Raffray, T.-K. Mau, and X. Wang, and with R. Miller (Decysive Systems, Santa Fe, New Mexico). NR 30 TC 13 Z9 13 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 OCT PY 2008 VL 54 IS 3 BP 694 EP 724 PG 31 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 353GY UT WOS:000259555400004 ER PT J AU Raffray, AR El-Guebaly, L Malang, S Wang, XR Bromberg, L Ihli, T Merrill, B Waganer, L AF Raffray, A. R. El-Guebaly, L. Malang, S. Wang, X. R. Bromberg, L. Ihli, T. Merrill, B. Waganer, L. CA ARIES CS Team TI Engineering design and analysis of the ARIES-CS power plant SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article DE compact stellarator; fusion power plant; design integration ID SYSTEM; CORE; PERFORMANCE; BLANKET AB The ARIES-CS team has concluded an integrated study of a compact stellarator power plant, involving physics and engineering design optimization. Key engineering considerations include the size of the power core, access for maintenance, and the minimum distance required between the plasma and the coil to provide acceptable shielding and breeding. Our preferred power core option in a three-field-period configuration is a dual-coolant (He + Pb-17Li) ferritic steel modular blanket concept coupled with a Brayton power cycle and a port-based maintenance scheme. In parallel with a physics effort to help determine the location and peak heat load to the divertor, we developed a helium-cooled W alloy/ferritic steel divertor design able to accommodate 10 MW/m(2). We also developed an intercoil structure design to accommodate the electromagnetic forces within each field period while allowing for penetrations required for maintenance, plasma control, coolant lines, and supporting legs for the in-vessel components. This paper summarizes the key engineering outcomes from the study. The engineering design of the fusion power core components (including the blanket and divertor) are described and key results from the supporting analyses presented, including stress analyses of the components and thermal-hydraulic analyses of the power core coupled to a Brayton cycle. The preferred port-based maintenance scheme is briefly described and the integration of the power core is discussed. The key stellarator-specific challenges affecting the design are highlighted, including the impact of the minimum plasma-coil distance, the maintenance, integration, and coil design requirements, and the need for alpha power accommodation. C1 [Raffray, A. R.; Wang, X. R.] Univ Calif San Diego, Energy Res Ctr, La Jolla, CA 92093 USA. [El-Guebaly, L.] Univ Wisconsin, Fus Technol Inst, Madison, WI 53706 USA. [Bromberg, L.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Ihli, T.] Forschungszentrum Karlsruhe, IKET, D-76012 Karlsruhe, Germany. [Merrill, B.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Waganer, L.] Boeing Co, St Louis, MO 63166 USA. RP Raffray, AR (reprint author), Univ Calif San Diego, Energy Res Ctr, 460 EBU-II,9500 Gilman Dr, La Jolla, CA 92093 USA. EM rraffray@ucsd.edu FU U.S. Department of Energy [DE-FC03-95-ER54299] FX This work was supported under U.S. Department of Energy grant DE-FC03-95-ER54299. NR 27 TC 27 Z9 27 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 OCT PY 2008 VL 54 IS 3 BP 725 EP 746 PG 22 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 353GY UT WOS:000259555400005 ER PT J AU El-Guebaly, L Wilson, P Henderson, D Sawan, M Sviatoslavsky, G Tautges, T Slaybaugh, R Kiedrowski, B Ibrahim, A Martin, C Raffray, R Malang, S Lyon, J Ku, LP Wang, X Bromberg, L Merrill, B Waganer, L Najmabadi, F AF El-Guebaly, L. Wilson, P. Henderson, D. Sawan, M. Sviatoslavsky, G. Tautges, T. Slaybaugh, R. Kiedrowski, B. Ibrahim, A. Martin, C. Raffray, R. Malang, S. Lyon, J. Ku, L. P. Wang, X. Bromberg, L. Merrill, B. Waganer, L. Najmabadi, F. CA ARIES CS Team TI Designing ARIES-CS compact radial build and nuclear system: Neutronics, shielding, and activation SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article DE stellarator; nuclear analysis; fusion power plants ID STELLARATOR POWER-PLANT; KEY ISSUES; BLANKET; COOLANT AB Within the ARIES-CS project, design activities have focused on developing the first compact device that enhances the attractiveness of the stellarator as a power plant. The objectives of this paper are to review the nuclear elements that received considerable attention during the design process and provide a perspective on their successful integration into the final design. Among these elements are the radial build definition, the well-optimized in-vessel components that satisfy the ARIES top-level requirements, the carefully selected nuclear and engineering parameters to produce an economic optimum, the modeling for the first time ever-of the highly complex stellarator geometry for the three-dimensional nuclear assessment, and the overarching safety and environmental constraints to deliver an attractive, reliable, and truly compact stellarator power plant. C1 [El-Guebaly, L.; Wilson, P.; Henderson, D.; Sawan, M.; Sviatoslavsky, G.; Slaybaugh, R.; Kiedrowski, B.; Ibrahim, A.; Martin, C.] Univ Wisconsin, Fus Technol Inst, Madison, WI 53706 USA. [Tautges, T.] Argonne Natl Lab, Argonne, IL 60439 USA. [Raffray, R.; Wang, X.; Najmabadi, F.] Univ Calif San Diego, La Jolla, CA 90093 USA. [Lyon, J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Ku, L. P.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Bromberg, L.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Merrill, B.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Waganer, L.] Boeing Co, St Louis, MO 63166 USA. RP El-Guebaly, L (reprint author), Univ Wisconsin, Fus Technol Inst, 1500 Engn Dr, Madison, WI 53706 USA. EM elguebaly@engr.wisc.edu OI Slaybaugh, Rachel/0000-0002-6296-6519; Wilson, Paul/0000-0002-8555-4410 FU U.S Department of Energy [DE-FG02-98ER 54462] FX This work was performed under the auspices of the U.S Department of Energy (contract DE-FG02-98ER 54462). NR 40 TC 21 Z9 21 U1 1 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 OCT PY 2008 VL 54 IS 3 BP 747 EP 770 PG 24 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 353GY UT WOS:000259555400006 ER PT J AU Mau, TK Kaiser, TB Grossman, AA Raffray, AR Wang, XR Lyon, JF Maingi, R Ku, LP Zarnstorff, MC AF Mau, T. K. Kaiser, T. B. Grossman, A. A. Raffray, A. R. Wang, X. R. Lyon, J. F. Maingi, R. Ku, L. P. Zarnstorff, M. C. CA ARIES-CS Team TI Divertor configuration and heat load studies for the ARIES-CS fusion power plant SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article DE divertor; heat load; fusion power plant ID ISLAND DIVERTOR; STELLARATOR; W7-AS; EDGE; NCSX AB The critical issue of divertor configuration for heat and particle flux control in a conceptual ARIES compact stellarator (CS) reactor is addressed. The goal is to determine a divertor location and geometry with a peak heat load of not more than 10 MW/m(2) for a CS equilibrium based on the configuration to be used in the NCSX experiment, optimized for high beta (6.4%) and designed for low alpha-particle power loss fraction (<= 5%). The surface heat flux on the target has three components: thermal particles, lost energetic alphas, and radiation from the core and the scrape-off layer. The first two components are dominant and their magnitudes can be comparable. To maintain a tritium-breeding ratio of 1.1, the total target area should not exceed 15% of the boundary plasma surface area. The divertor concept consists of two pairs of target plates per field period, one pair each at the top and bottom of the plasma. The heat flux profile is assessed by assuming that the parallel transport can be represented by field line mapping and that cross-field transport can be modeled with a prescribed field line diffusion scheme. In this manner, the poloidal and toroidal extents of the plates and their shape and distance to the plasma are designed to intercept all the heat flux and to minimize the peak thermal heat load. An approximate scheme, based on particle drift orbits in the core and field line tracing in the edge, is derived to estimate the alpha-particle heat load distribution over the plates and the first wall. The best plate configuration to date yields total peak heat loads (thermal + alpha) ranging from 5 to 18 MW/m(2). Further optimization of the target plates is required to reach the design goal, which will be addressed in a future study. C1 [Mau, T. K.; Grossman, A. A.; Raffray, A. R.; Wang, X. R.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Kaiser, T. B.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Lyon, J. F.; Maingi, R.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Ku, L. P.; Zarnstorff, M. C.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Mau, TK (reprint author), Univ Calif San Diego, La Jolla, CA 92093 USA. EM mau@alisa.ucsd.edu FU U.S. Department of Energy, Office of Science [DE-FG0204ER 54757, W-7405-ENG-48, DE-AC05-00OR22725, DE-AC02-76-CHO-3073] FX This work was performed under the auspices of the U.S. Department of Energy, Office of Science grant DE-FG0204ER 54757 (University of California, San Diego), contract W-7405-ENG-48 (Lawrence Livermore National Laboratory), contract DE-AC05-00OR22725 (Oak Ridge National Laboratory), and contract DE-AC02-76-CHO-3073 (Princeton Plasma Physics Laboratory). The authors have benefited from discussions with other members of the ARIES-CS Team, particularly F. Najmabadi, L. El-Guebaly, H. McGuinness, and D. Steiner. NR 28 TC 8 Z9 8 U1 0 U2 4 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 EI 1943-7641 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD OCT PY 2008 VL 54 IS 3 BP 771 EP 786 PG 16 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 353GY UT WOS:000259555400007 ER PT J AU Wang, XR Raffray, AR Bromberg, L Schultz, JH Ku, LP Lyon, JF Malang, S Waganer, L El-Guebaly, L Martin, C AF Wang, X. R. Raffray, A. R. Bromberg, L. Schultz, J. H. Ku, L. P. Lyon, J. F. Malang, S. Waganer, L. El-Guebaly, L. Martin, C. CA ARIES Team TI ARIES-CS magnet conductor and structure evaluation SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article DE electromagnetic-structural analysis; compact stellarator; superconductor ID STELLARATOR EXPERIMENT NCSX; COMPACT STELLARATOR; WENDELSTEIN 7-X; COIL SYSTEM; DESIGN; FABRICATION; JACKET; FUSION; JK2LB AB The ARIES-CS study focusing on the conceptual design and assessment of a compact stellarator power plant identified the important advantages and key issues associated with such a design. The coil configuration and structural support approach represent key design challenges, with the final design and material choices affected by a number of material and geometry constraints. This paper describes the design configuration and analysis and material choices for the ARIES-CS magnets and its structure. To meet aggressive cost and assembly/ maintenance goals, the magnets are designed as lifetime components. Due to the very complex geometry, one of the goals of the study was to provide a robust operational design. This decision has significant implications on cost and manufacturing requirements. Concepts with both conventional and advanced superconductors have been explored. The coil structure design approach adopted is to wind all six modular coils of one field period in grooves in one monolithic coil structural shell (one per field period). The coil structural shells are then bolted together to form a strong structural shell to react the net radial forces. Extensive engineering analyses of the coil system have been performed using ANSYS shell and solid modeling. These include electromagnetic (EM) analyses to calculate the magnetic fields and EM forces and structural analyses to evaluate the structural responses and optimize the coil support system, which has a considerable impact on the cost of the ARIES-CS power plant. C1 [Wang, X. R.; Raffray, A. R.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Bromberg, L.; Schultz, J. H.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Ku, L. P.] Princeton Plasma Phys Lab, Princeton, NJ USA. [Lyon, J. F.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Malang, S.] Fus Nucl Technol Consulting, Linkenheim, Germany. [Waganer, L.] Boeing Co, St Louis, MO 63166 USA. [El-Guebaly, L.; Martin, C.] Univ Wisconsin, Madison, WI 53706 USA. [ARIES Team] Univ Calif San Diego, ARIES Power Plant Studies, La Jolla, CA 92093 USA. RP Wang, XR (reprint author), Univ Calif San Diego, 9500 Gilman Dr, La Jolla, CA 92093 USA. EM xrwang@ucsd.edu FU U.S. Department of Energy [DE-FC03-95-ER54299] FX This work was supported under U.S. Department of Energy grant DE-FC03-95-ER54299. NR 36 TC 9 Z9 9 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 OCT PY 2008 VL 54 IS 3 BP 818 EP 837 PG 20 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 353GY UT WOS:000259555400009 ER PT J AU Merrill, BJ El-Guebaly, LA Martin, C Moore, RL Raffray, AR Petti, DA AF Merrill, B. J. El-Guebaly, L. A. Martin, C. Moore, R. L. Raffray, A. R. Petti, D. A. CA ARIES-CS Team TI Safety assessment of the ARIES compact stellarator design SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article DE ARIES-CS; safety assessment; stellarator ID POWER-PLANT; LITHIUM ALLOY; PERMEATION; WASTE; DIFFUSION; HYDROGEN; TRITIUM; BLANKET; STEEL AB ARIES-CS is a 1000 MW(electric) compact stellarator conceptual fusion power plant design. This power plant design contains many innovative features to improve the physics, engineering, and safety performance of the stellarator concept. ARIES-CS utilizes a dual-cooled lead lithium blanket that employs low-activation ferritic steel as a structural material, with the first wall cooled by helium and the breeding zone self-cooled by flowing lead lithium. In this paper we examine the safety and environmental performance of ARIES-CS by reporting radiological inventories, decay heat, and radioactive waste management options and by examining the response of ARIES-CS to accident conditions. These accidents include conventional loss of coolant and loss of flow events, an ex-vessel loss of coolant event, and an in-vessel loss of coolant with bypass event that mobilizes in-vessel radioactive inventories (e.g., tritium and erosion dust from plasma facing components). Our analyses demonstrate that the decay heat can be safely removed from ARIES-CS and the facility can meet the no-evacuation requirement. C1 [Merrill, B. J.; Moore, R. L.; Petti, D. A.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [El-Guebaly, L. A.; Martin, C.] Univ Wisconsin, Fus Technol Inst, Madison, WI 53706 USA. [Raffray, A. R.] Univ Calif San Diego, Dept Aerosp Engn & Mech, La Jolla, CA 92093 USA. [Raffray, A. R.] Univ Calif San Diego, Energy Res Ctr, La Jolla, CA 92093 USA. RP Merrill, BJ (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM Brad.Merrill@inl.gov FU [DE-AC07-05ID 14517] FX This work was prepared for the U.S. DOE, Office of Fusion Energy Sciences, under DOE Idaho Field Office contract DE-AC07-05ID 14517. NR 41 TC 18 Z9 18 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 OCT PY 2008 VL 54 IS 3 BP 838 EP 863 PG 26 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 353GY UT WOS:000259555400010 ER PT J AU Smith, DR Quinlan, AR Peckham, HE Makowsky, K Tao, W Woolf, B Shen, L Donahue, WF Tusneem, N Stromberg, MP Stewart, DA Zhang, L Ranade, SS Warner, JB Lee, CC Coleman, BE Zhang, Z McLaughlin, SF Malek, JA Sorenson, JM Blanchard, AP Chapman, J Hillman, D Chen, F Rokhsar, DS McKernan, KJ Jeffries, TW Marth, GT Richardson, PM AF Smith, Douglas R. Quinlan, Aaron R. Peckham, Heather E. Makowsky, Kathryn Tao, Wei Woolf, Betty Shen, Lei Donahue, William F. Tusneem, Nadeem Stromberg, Michael P. Stewart, Donald A. Zhang, Lu Ranade, Swati S. Warner, Jason B. Lee, Clarence C. Coleman, Brittney E. Zhang, Zheng McLaughlin, Stephen F. Malek, Joel A. Sorenson, Jon M. Blanchard, Alan P. Chapman, Jarrod Hillman, David Chen, Feng Rokhsar, Daniel S. McKernan, Kevin J. Jeffries, Thomas W. Marth, Gabor T. Richardson, Paul M. TI Rapid whole-genome mutational profiling using next-generation sequencing technologies SO GENOME RESEARCH LA English DT Article ID YEAST PICHIA-STIPITIS; XYLOSE; DISCOVERY AB Forward genetic mutational studies, adaptive evolution, and phenotypic screening are powerful tools for creating new variant organisms with desirable traits. However, mutations generated in the process cannot be easily identified with traditional genetic tools. We show that new high-throughput, massively parallel sequencing technologies can completely and accurately characterize a mutant genome relative to a previously sequenced parental (reference) strain. We studied a mutant strain of Pichia stipitis, a yeast capable of converting xylose to ethanol. This unusually efficient mutant strain was developed through repeated rounds of chemical mutagenesis, strain selection, transformation, and genetic manipulation over a period of seven years. We resequenced this strain on three different sequencing platforms. Surprisingly, we found fewer than a dozen mutations in open reading frames. All three sequencing technologies were able to identify each single nucleotide mutation given at least 10-15-fold nominal sequence coverage. Our results show that detecting mutations in evolved and engineered organisms is rapid and cost-effective at the whole-genome level using new sequencing technologies. Identification of specific mutations in strains with altered phenotypes will add insight into specific gene functions and guide further metabolic engineering efforts. C1 [Smith, Douglas R.; Makowsky, Kathryn; Tao, Wei; Woolf, Betty; Shen, Lei; Donahue, William F.; Tusneem, Nadeem] Agencourt Biosci Corp, Beverly, MA 01915 USA. [Quinlan, Aaron R.; Stromberg, Michael P.; Stewart, Donald A.; Zhang, Lu; Marth, Gabor T.] Boston Coll, Dept Biol, Chestnut Hill, MA 02467 USA. [Peckham, Heather E.; Ranade, Swati S.; Warner, Jason B.; Lee, Clarence C.; Coleman, Brittney E.; Zhang, Zheng; McLaughlin, Stephen F.; Malek, Joel A.; Sorenson, Jon M.; Blanchard, Alan P.; McKernan, Kevin J.] Appl Biosyst Inc, Beverly, MA 01915 USA. [Zhang, Zheng] Appl Biosyst Inc, Foster City, CA 94404 USA. [Chapman, Jarrod; Hillman, David; Chen, Feng; Rokhsar, Daniel S.; Richardson, Paul M.] US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA. [Jeffries, Thomas W.] US Forest Serv, Inst Microbial & Biochem Technol, Madison, WI 53726 USA. RP Smith, DR (reprint author), Agencourt Biosci Corp, Beverly, MA 01915 USA. EM douglas.smith@agencourt.com; marth@bc.edu; PaulRichardson@Progentech.com RI Jeffries, Thomas/I-8576-2012; OI Jeffries, Thomas/0000-0001-7408-4065; McKernan, Kevin/0000-0002-3908-1122; Quinlan, Aaron/0000-0003-1756-0859; Blanchard, Alan/0000-0002-4446-1648 FU NHGRI NIH HHS [R01 HG003698-01, R01 HG003698-02, R01 HG003698, R01 HG003698-03, R01 HG003698-04, R01 HG003698-05, R01 HG003698-05S1] NR 12 TC 163 Z9 179 U1 6 U2 37 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 OCT PY 2008 VL 18 IS 10 BP 1638 EP 1642 DI 10.1101/gr.077776.108 PG 5 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity GA 355HU UT WOS:000259700800010 PM 18775913 ER PT J AU McCarthy, JF Ilavsky, J Jastrow, JD Mayer, LM Perfect, E Zhuang, J AF McCarthy, John F. Ilavsky, Jan Jastrow, Julie D. Mayer, Lawrence M. Perfect, Edmund Zhuang, Jie TI Protection of organic carbon in soil microaggregates via restructuring of aggregate porosity and filling of pores with accumulating organic matter SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID X-RAY-SCATTERING; ANGLE NEUTRON-SCATTERING; SURFACE-AREA; SIZE DISTRIBUTION; EXTRACELLULAR ENZYMES; CLAY-MINERALS; BLACK CARBON; NO-TILLAGE; SEDIMENTS; STABILIZATION AB We examined relationships between the pore structure of microaggregates and the protection of organic matter (OM) within that structure. By using ultra-small angle X-ray scattering (USAXS) before and after combustion of microaggregates at 350 degrees C, we took advantage of differences in X-ray scattering contrast among soil minerals, OM, and air to evaluate the distribution of the total- and OM-filled porosity within microaggregates (53-250 mu m in diameter). Systematic changes in microaggregate structure were observed for long-term field manipulations of land use (a chronosequence of tallgrass prairie restorations) and agricultural management (conventional tillage versus no-till at two levels of nitrogen fertilization). Our results imply that OM preservation arose from the evolution of the architectural system of microaggregates during their formation and stabilization. Soils and treatments with increasing OM in microaggregates were associated with encapsulation of colloidal OM by minerals, thereby creating protected OM-filled pores at the submicron scale within the microaggregate structure. For example, in the prairie chronosequence, microaggregates from the cultivated soil had the lowest concentration of OM, but 75% of the OM that had survived cultivation was in OM-filled pores. Following restoration, the concentration of OM in microaggregates increased rapidly, but the proportion of OM in OM-filled pores declined initially and then increased over time until 90% of the OM was in OM-filled pores. OM totally encapsulated within the pore structure can create spatial and kinetic constraints on microbial access to and degradation of OM. Encapsulation of OM increases the capacity for its protection relative to sorption on mineral surfaces, and comparison of its extent among treatments suggests important feedback loops. The use of USAXS, which has not previously been applied to the study of soil aggregate structures and the distribution of OM within those structures, provided new information on the mechanisms of OM protection in soil microaggregates, and insights relevant to strategies for enhancing carbon-sequestration in soil through changes in agricultural management practices and land use. (C) 2008 Elsevier Ltd. All rights reserved. C1 [McCarthy, John F.] Univ Tennessee, Ctr Environm Biotechnol, Knoxville, TN 37996 USA. [Ilavsky, Jan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Jastrow, Julie D.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Mayer, Lawrence M.] Univ Maine, Darling Marine Ctr, Sch Marine Sci, Walpole, ME 04573 USA. [Perfect, Edmund; Zhuang, Jie] Univ Tennessee, Dept Earth & Planetary Sci, Knoxville, TN 37996 USA. RP McCarthy, JF (reprint author), Univ Tennessee, Ctr Environm Biotechnol, 1210 Circle Dr, Knoxville, TN 37996 USA. EM jmccart1@utk.edu; ilavsky-j@aps.anl.gov; Jastrow@anl.gov; lmayer@maine.edu; eperfect@utk.edu; jzhuang@utk.edu RI Mayer, Lawrence/A-1337-2009; USAXS, APS/D-4198-2013; OI Ilavsky, Jan/0000-0003-1982-8900 FU National Science Foundation [EAR-0223279]; U.S. Department of Agriculture's National Research Initiative [2002-35107-12677]; Petroleum Research Fund [39880-AC28, 38466-AC2]; U.S. Department of Energy (DOE); Office of Science; Office of Biological and Environmental Research; Climate Change Research Division [DE-AC02-06CH11357]; U.S. DOE [DE-AC02-06CH11357, DEFG02-91ER45439, DE-AC05-00OR22725] FX This research was supported by the National Science Foundation (EAR-0223279), the U.S. Department of Agriculture's National Research Initiative (2002-35107-12677), the Petroleum Research Fund (39880-AC28 and 38466-AC2), and the U.S. Department of Energy (DOE), Office of Science, Office of Biological and Environmental Research, Climate Change Research Division under contract DE-AC02-06CH11357.; The Ultra-Small Angle Scattering (USAXS) data were obtained at the UNICAT facility of the Advanced Photon Source (APS) at Argonne National Laboratory. The UNICAT facility is supported by the U.S. DOE under Award No. DEFG02-91ER45439, through the Frederick Seitz Materials Research Laboratory at the University of Illinois at Urbana-Champaign and the Oak Ridge National Laboratory (U.S. DOE contract DE-AC05-00OR22725 with UT-Battelle LLC). Interpretation of the USAXS data was assisted by the National Institute of Standards and Technology (U.S. Department of Commerce) and UOP LLC. The APS is supported by the U.S. DOE, Office of Science, Office of Basic Energy Sciences under contract DE-AC02-06CH11357. We thank S. O'Brien and K. Moran for isolating the microaggregates. We also acknowledge and thank the associate editor and two anonymous reviewers who identified very critical issues that were invaluable in helping us to greatly improve this manuscript. NR 98 TC 61 Z9 65 U1 10 U2 53 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 OCT 1 PY 2008 VL 72 IS 19 BP 4725 EP 4744 DI 10.1016/j.gca.2008.06.015 PG 20 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 355NZ UT WOS:000259716900006 ER PT J AU Arrowsmith, SJ Whitaker, R Taylor, SR Burlacu, R Stump, B Hedlin, M Randall, G Hayward, C ReVelle, D AF Arrowsmith, Stephen J. Whitaker, Rod Taylor, Steven R. Burlacu, Relu Stump, Brian Hedlin, Michael Randall, George Hayward, Chris ReVelle, Doug TI Regional monitoring of infrasound events using multiple arrays: application to Utah and Washington State SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Article DE Time series analysis; Probability distributions; Seismic monitoring and test-ban treaty verifications; Wave propagation ID ATMOSPHERIC INFRASOUND; SIGNAL-DETECTION; LOCATION; METEOR AB In this paper, we present an integrated set of algorithms for the automatic detection, association, and location of low-frequency acoustic events using regional networks of infrasound arrays. Here, low-frequency acoustic events are characterized by transient signals, which may arise from a range of natural and anthropogenic sources, examples of which include (but are not limited to) earthquakes, volcanic eruptions, explosions, rockets and bolides. First, we outline a new technique for detecting infrasound signals that works successfully in the presence of correlated noise. We use an F-statistic, sequentially adapted to ambient noise conditions, in order to obtain detections at a given statistical significance while accounting for real background noise. At each array, individual arrivals are then grouped together based on measured delay-times and backazimuths. Each signal is identified as either a first or later arrival. First arrivals at spatially separated arrays are then associated using a grid-search method to form events. Preliminary event locations are calculated from the geographic means and spreads of grid nodes associated with each event. We apply the technique to regional infrasound networks in Utah and Washington State. In Utah, over a period of approximately 1 month, we obtain a total of 276 events recorded at three arrays in a geographic region of 6 x 4 degrees. For four ground-truth explosions in Utah, the automatic algorithm detects, associates, and locates the events within an average offset of 5.4 km to the actual explosion locations. In Washington State, the algorithm locates numerous events that are associated with a large coalmine in Centralia, Washington. An example mining-explosion from Centralia is located within 8.2 km of the mine. The methodology and results presented here provide an initial framework for assessing the capability of infrasound networks for regional infrasound monitoring, in particular by quantifying detection thresholds and localization errors. C1 [Arrowsmith, Stephen J.; Whitaker, Rod; Randall, George; ReVelle, Doug] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Taylor, Steven R.] Rocky Mt Geophys, Los Alamos, NM 87544 USA. [Burlacu, Relu] Univ Utah, Univ Utah Seismograph Stat, Salt Lake City, UT 84112 USA. [Stump, Brian; Hayward, Chris] So Methodist Univ, Dedman Coll, Dept Geol Sci, Dallas, TX 75275 USA. [Hedlin, Michael] Univ Calif San Diego, Lab Atmospher Acoust, La Jolla, CA 92093 USA. RP Arrowsmith, SJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM sarrowsmith@gmail.com FU GNEM program of the US DOE-HQ [NA-22] FX We would like to thank Dale Anderson and Bob Shumway for their statistical insights and Marv Wetovsky for editorial comments. We also thank Johan Robertsson and three anonymous reviewers for their constructive comments, which helped to improve this manuscript. We gratefully acknowledge financial support from the GNEM program of the US DOE-HQ in NA-22. NR 27 TC 21 Z9 21 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 OCT PY 2008 VL 175 IS 1 BP 291 EP 300 DI 10.1111/j.1365-246X.2008.03912.x PG 10 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 392PE UT WOS:000262313800020 ER PT J AU Kiryukhin, AV Asaulova, NP Finsterle, S AF Kiryukhin, Alexey V. Asaulova, Natalia P. Finsterle, Stefan TI Inverse modeling and forecasting for the exploitation of the Pauzhetsky geothermal field, Kamchatka, Russia SO GEOTHERMICS LA English DT Article DE Geothermal; Production forecast; Inverse modeling; Pauzhetsky; Russia AB A three-dimensional numerical model of the Pauzhetsky geothermal field has been developed based on a conceptual hydrogeological model of the system. It extends over a 13.6-km(2) area and includes three layers: (1) a base layer with inflow: (2) a geothermal reservoir; and (3) an upper layer with discharge and recharge/infiltration areas. Using the computer program iTOUGH2 [Finsterle, S., 2004. Multiphase inverse modeling: review and iTOUGH2 applications. Vadose Zone J. 3, 747-762], the model is calibrated to a total of 13,675 calibration points, combining natural-state and 1960-2006 exploitation data. The principal model parameters identified and estimated by inverse modeling include the fracture permeability and fracture porosity of the geothermal reservoir, the initial natural upflow rate, the base-layer porosity, and the permeabilities of the infiltration zones. Heat and mass balances derived from the calibrated model helped identify the sources of the geothermal reserves in the field. With the addition of five make-up wells, simulation forecasts for the 2007-2032 period predict a sustainable average steam production of 29 kg/s, which is sufficient to maintain the generation of 6.8 MWe at the Pauzhetsky power plant. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Kiryukhin, Alexey V.] RAS, FEB, Inst Volcanol & Seismol, Petropavlovsk Kamchatski 683006, Russia. [Asaulova, Natalia P.] Kamchatskburgeotemia Enterprise, Thermalny 684035, Kamchatka, Russia. [Finsterle, Stefan] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Kiryukhin, AV (reprint author), RAS, FEB, Inst Volcanol & Seismol, Piip 9, Petropavlovsk Kamchatski 683006, Russia. EM avk2@kscnet.ru RI Finsterle, Stefan/A-8360-2009; Kiryukhin, Alexey/Q-3615-2016; OI Finsterle, Stefan/0000-0002-4446-9906; Kiryukhin, Alexey/0000-0001-5468-1452 FU SUE "Kamchatskburgeotermia"; FEB RAS [06-1-OH3-109]; RFBR [06-05-64688a]; U.S. Dept. of Energy [DE-AC02-05CH11231] FX We very much appreciate the constructive comments made by the anonymous reviewers. Valuable help from Karsten Pruess (LBNL) is highly appreciated. We are grateful to Pat Dobson and Dan Hawkes for their careful reviews of the manuscript. This work was supported by SUE "Kamchatskburgeotermia", FEB RAS project 06-1-OH3-109 and RFBR project 06-05-64688a, and in part by the U.S. Dept. of Energy under Contract No. DE-AC02-05CH11231. NR 13 TC 11 Z9 12 U1 4 U2 13 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0375-6505 J9 GEOTHERMICS JI Geothermics PD OCT PY 2008 VL 37 IS 5 BP 540 EP 562 DI 10.1016/j.geothermics.2008.04.003 PG 23 WC Energy & Fuels; Geosciences, Multidisciplinary SC Energy & Fuels; Geology GA 378WW UT WOS:000261356400005 ER PT J AU Gerten, D Luo, Y Le Maire, G Parton, WJ Keough, C Weng, E Beier, C Ciais, P Cramer, W Dukes, JS Hanson, PJ Knapp, AAK Linder, S Nepstad, D Rustad, L Sowerby, A AF Gerten, Dieter Luo, Yiqi Le Maire, Guerric Parton, William J. Keough, Cindy Weng, Ensheng Beier, Claus Ciais, Philippe Cramer, Wolfgang Dukes, Jeffrey S. Hanson, Paul J. Knapp, Alan A. K. Linder, Sune Nepstad, Dan Rustad, Lindsey Sowerby, Alwyn TI Modelled effects of precipitation on ecosystem carbon and water dynamics in different climatic zones SO GLOBAL CHANGE BIOLOGY LA English DT Article DE climate change; DGVM; drought; ecosystem modelling; NPP; precipitation; soil respiration; water limitation; water stress ID GLOBAL VEGETATION MODEL; UPLAND-OAK FOREST; TERRESTRIAL BIOSPHERE; AMAZON FOREST; ELEVATED CO2; SATELLITE DATA; DUKE FOREST; SOIL; PRODUCTIVITY; PLANT AB The ongoing changes in the global climate expose the world's ecosystems not only to increasing CO2 concentrations and temperatures but also to altered precipitation (P) regimes. Using four well-established process-based ecosystem models (LPJ, DayCent, ORCHIDEE, TECO), we explored effects of potential P changes on water limitation and net primary production (NPP) in seven terrestrial ecosystems with distinctive vegetation types in different hydroclimatic zones. We found that NPP responses to P changes differed not only among sites but also within a year at a given site. The magnitudes of NPP change were basically determined by the degree of ecosystem water limitation, which was quantified here using the ratio between atmospheric transpirational demand and soil water supply. Humid sites and/or periods were least responsive to any change in P as compared with moderately humid or dry sites/periods. We also found that NPP responded more strongly to doubling or halving of P amount and a seasonal shift in P occurrence than that to altered P frequency and intensity at constant annual amounts. The findings were highly robust across the four models especially in terms of the direction of changes and largely consistent with earlier P manipulation experiments and modelling results. Overall, this study underscores the widespread importance of P as a driver of change in ecosystems, although the ultimate response of a particular site will depend on the detailed nature and seasonal timing of P change. C1 [Gerten, Dieter; Cramer, Wolfgang] Potsdam Inst Climate Impact Res, D-14473 Potsdam, Germany. [Luo, Yiqi; Weng, Ensheng] Univ Oklahoma, Dept Bot & Microbiol, Norman, OK 73019 USA. [Le Maire, Guerric; Ciais, Philippe] CEA CNRS UVSQ, UMR, Lab Sci Climat & Environm, F-91191 Gif Sur Yvette, France. [Parton, William J.; Keough, Cindy] Univ Colorado, Nat Resource Ecol Lab, Ft Collins, CO 80523 USA. [Beier, Claus] Riso Natl Lab Sustainable Energy, Biosyst Dept, DK-4000 Roskilde, Denmark. [Dukes, Jeffrey S.] Univ Massachusetts, Dept Biol, Boston, MA 02125 USA. [Hanson, Paul J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Knapp, Alan A. K.] Colorado State Univ, Dept Biol, Ft Collins, CO 80523 USA. [Knapp, Alan A. K.] Colorado State Univ, Grad Program Ecol, Ft Collins, CO 80523 USA. [Linder, Sune] Swedish Univ Agr Sci, So Swedish Forest Res Ctr, SE-23053 Alnarp, Sweden. [Nepstad, Dan] Woods Hole Res Ctr, Woods Hole, MA 02543 USA. [Rustad, Lindsey] US Forest Serv, USDA, NE Res Stn, Cumberland, ME 04021 USA. [Sowerby, Alwyn] Ctr Ecol & Hydrol, Bangor LL57 2UP, Gwynedd, England. RP Gerten, D (reprint author), Potsdam Inst Climate Impact Res, Telegrafenberg A62, D-14473 Potsdam, Germany. EM gerten@pik-potsdam.de RI Dukes, Jeffrey/C-9765-2009; Hanson, Paul J./D-8069-2011; Weng, Ensheng/E-4390-2012; Gerten, Dieter/B-2975-2013; Beier, Claus/E-6288-2013; Cramer, Wolfgang/B-8221-2008; le Maire, Guerric/P-6378-2014; Beier, Claus/C-1789-2016 OI Dukes, Jeffrey/0000-0001-9482-7743; Hanson, Paul J./0000-0001-7293-3561; Weng, Ensheng/0000-0002-1858-4847; Cramer, Wolfgang/0000-0002-9205-5812; Beier, Claus/0000-0003-0348-7179 FU European Commission [016066]; TERACC initiative; CLIMAITE FX We thank Paulo Brando, Nona Chiariello and Susy Lutz for collating observational data. Stefanie Rost and Sibyll Schaphoff are gratefully acknowledged for technical assistance. Many participants of the EPRECOT workshop in Helsingor ( May 2006) helped to shape this study through open discussions. We also thank two anonymous reviewers for their comments. This study was conducted in the framework of the Workshop and Networking Activity EPRECOT ( Effects of Precipitation Change on Terrestrial Ecosystems), co-funded by the European Commission (FP6 programme, contract no. 016066), the TERACC initiative ( Terrestrial Ecosystem Responses to Atmospheric and Climatic Change) and the CLIMAITE project (www.climaite.dk). NR 70 TC 49 Z9 49 U1 6 U2 89 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1354-1013 EI 1365-2486 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD OCT PY 2008 VL 14 IS 10 BP 2365 EP 2379 DI 10.1111/j.1365-2486.2008.01651.x PG 15 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 350NW UT WOS:000259360500011 ER PT J AU Thompson, AJ Shudo, E Ribeiro, R Visvanathan, K Desmond, PV Lau, GK Perelson, AS Locarnini, S AF Thompson, Alex J. Shudo, Emi Ribeiro, Ruy Visvanathan, Kumar Desmond, Paul V. Lau, George K. Perelson, Alan S. Locarnini, Stephen TI NEW INSIGHTS INTO HBV PATHOGENESIS FROM KINETIC ANALYSIS OF HBEAG TITRE DECAY DURING POTENT ANTIVIRAL THERAPY SO HEPATOLOGY LA English DT Meeting Abstract CT 59th Annual Meeting of the American-Association-for-the-Study-of-Liver-Diseases CY OCT 31-NOV 04, 2008 CL San Francisco, CA SP Amer Assoc Study Liver Dis, Moscone West Convent Ctr C1 [Thompson, Alex J.; Desmond, Paul V.] St Vincents Hosp, Dept Gastroenterol, Fitzroy, Vic 3065, Australia. [Thompson, Alex J.; Locarnini, Stephen] Victorian Infect Dis Reference Lab, Melbourne, Vic, Australia. [Shudo, Emi; Ribeiro, Ruy; Perelson, Alan S.] Los Alamos Natl Lab, Los Alamos, NM USA. [Visvanathan, Kumar] Monash Med Ctr, Dept Med, Clayton, Vic 3168, Australia. [Lau, George K.] Univ Hong Kong, Dept Med, Hong Kong, Hong Kong, Peoples R China. NR 0 TC 1 Z9 1 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 OCT PY 2008 VL 48 IS 4 SU S MA 824 BP 674A EP 675A PG 2 WC Gastroenterology & Hepatology SC Gastroenterology & Hepatology GA 356CX UT WOS:000259757401208 ER PT J AU May, MJ Schneider, MB Hansen, SB Chung, HK Hinkel, DE Baldis, HA Constantin, C AF May, M. J. Schneider, M. B. Hansen, S. B. Chung, H. -K. Hinkel, D. E. Baldis, H. A. Constantin, C. TI X-ray spectral measurements and collisional-radiative modeling of hot, gold plasmas at the omega laser SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Plasma physics; X-ray spectroscopy; Hot hohlraum; Omega laser ID PHOTOGRAPHIC FILMS; IONIZATION BALANCE; SPECTROMETER; PHOTOABSORPTION; TRANSMISSION; REFLECTION; EMISSION; WORKSHOP; PROGRAM; TARGETS AB M-Band and L-Band Gold spectra between 3 and 5 key and 8 and 13 keV, respectively, have been recorded by a photometrically calibrated crystal spectrometer. The spectra were emitted from the plasma in the laser deposition region of a 'hot hohlraum'. This is a reduced-scale hohlraum heated with approximate to 9 kJ of 351 nm light in a 1 ns square pulse at the OMEGA laser. The space- and time-integrated spectra included L-Band line emission from Co-like to Ne-like gold. The three L-Band line features were identified to be the 3s -> 2p, 3d(5/2) -> 2p(3/2) and 3d(3/2) -> 2p(1/2) transitions at approximate to 9 key, approximate to 10 key and approximate to 13 key, respectively. M-Band 5f -> 3d, 4d -> 3p, and 4p -> 3s transition features from Fe-like to P-like gold were also recorded between 3 and 5 keV. Modeling from the radiation-hydrodynamics code LASNEX, the collisional-radiative codes FLYCHK and SCRAM, and the atomic structure code FAC were used to model the plasma and generate simulated spectra for comparison with the recorded spectra. Through these comparisons, we have determined the average electron temperature of the emitting plasma to be between 6.0 and 6.5 key. The electron temperatures predicted by LASNEX appear to be too large by a factor of about 1.5. (C) 2008 Published by Elsevier B.V. C1 [May, M. J.; Schneider, M. B.; Hansen, S. B.; Chung, H. -K.; Hinkel, D. E.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Baldis, H. A.; Constantin, C.] Univ Calif Davis, Davis, CA 95616 USA. RP May, MJ (reprint author), Lawrence Livermore Natl Lab, POB 808,L281, Livermore, CA 94551 USA. EM may13@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [W-7405-Eng-48, DE-AC52-07NA27344, DE-FG52-2005NA26017] FX We thank the excellent OMEGA laser crew at the Laboratory for Laser Energetics for their expert help in these experiments. We thank Dr. Klaus Widmann for very useful discussions. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory in part under Contract W-7405-Eng-48 and in part under Contract DE-AC52-07NA27344 and under grant number DE-FG52-2005NA26017 (National Laser Users Facility). NR 54 TC 2 Z9 2 U1 5 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD OCT PY 2008 VL 4 IS 3-4 BP 78 EP 87 DI 10.1016/j.hedp.2008.07.001 PG 10 WC Physics, Fluids & Plasmas SC Physics GA V15DF UT WOS:000207782000002 ER PT J AU Hurricane, OA AF Hurricane, O. A. TI Design for a high energy density Kelvin-Helmholtz experiment SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Kelvin-Helmholtz instability; Vorticity; Baroclinic vorticity; Shear layer; National Ignition Facility; Shock wave; Laser driven experiment AB While many high energy density physics (HEDP) Rayleigh-Taylor and Richtmyer-Meshkov instability experiments have been fielded as part of basic HEDP and astrophysics studies, not one HEDP Kelvin-Helmholtz (KH) experiment has been successfully performed. Herein, a design for a novel HEDP X-ray driven KH experiment is presented along with supporting radiation-hydrodynamic simulation and theory. (C) 2008 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Hurricane, OA (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM hurricane1@llnl.gov FU U.S. Department of Energy by the University of California Lawrence Livermore National Laboratory [W-7405-Eng-48] FX Thanks to Dr. Harry Robey for his input into the design of this experiment. The encouragement of Dr. Bruce Remington and Dr. J. Freddy Hansen is greatly appreciated. Also thanks to Prof. R. Paul Drake and his student Eric C. Harding for their interest in resurrecting this experimental proposal. 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 No. W-7405-Eng-48. NR 27 TC 17 Z9 17 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD OCT PY 2008 VL 4 IS 3-4 BP 97 EP 102 DI 10.1016/j.hedp.2008.02.002 PG 6 WC Physics, Fluids & Plasmas SC Physics GA V15DF UT WOS:000207782000004 ER PT J AU Nilsen, J Castor, JI Iglesias, CA Cheng, KT Dunn, J Johnson, WR Filevich, J Purvis, MA Grava, J Rocca, JJ AF Nilsen, Joseph Castor, John I. Iglesias, Carlos A. Cheng, K. T. Dunn, James Johnson, Walter R. Filevich, Jorge Purvis, Michael A. Grava, Jonathan Rocca, Jorge J. TI Understanding the anomalous dispersion of doubly ionized carbon plasmas near 47 nm SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE X-ray laser; Interferometers; Index of refraction; Plasmas; Anomalous dispersion AB Over the last several years we have predicted and observed plasmas with an index of refraction greater than 1 in the soft X-ray regime. These plasmas are usually a few times ionized and have ranged from low-Z carbon plasmas to mid-Z tin plasmas. Our main calculational tool has been the average-atom code. We have recently observed C(2+) plasmas with an index of refraction greater than 1 at a wavelength of 46.9 nm (26.44 eV). In this paper we compare the average-atom method, AVATOMKG, against two more detailed methods, OPAL and CAM, for calculating the index of refraction for the carbon plasmas and discuss the different approximations used. We present experimental measurements of carbon plasmas that display this anomalous dispersion phenomenon. It is shown that the average-atom calculation is a good approximation when the strongest lines dominate the dispersion. However, when weaker lines make a significant contribution, the more detailed calculations such as OPAL and CAM are essential. During the next decade X-ray free electron lasers and other X-ray sources will be available to probe a wider variety of plasmas at higher densities and shorter wavelengths so understanding the index of refraction in plasmas will be even more essential. With the advent of tunable X-ray lasers the frequency-dependent interferometer measurements of the index of refraction may enable us to determine the absorption coefficients and lineshapes and make detailed comparisons against our atomic physics codes. (C) 2008 Published by Elsevier B.V. C1 [Nilsen, Joseph; Castor, John I.; Iglesias, Carlos A.; Cheng, K. T.; Dunn, James] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Johnson, Walter R.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Filevich, Jorge; Purvis, Michael A.; Grava, Jonathan; Rocca, Jorge J.] Colorado State Univ, Ft Collins, CO 80523 USA. RP Nilsen, J (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM jnilsen@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; National Nuclear Security Administration through U.S. Department of Energy [DE-FG52-06NA26152]; NSF ERC [EEC-0310717]; NSF [PHY-0456828] FX This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. This research was also sponsored by the National Nuclear Security Administration under the Stewardship Science Academic Alliances program through U.S. Department of Energy Research Grant # DE-FG52-06NA26152, using the facilities from the NSF ERC for Extreme Ultraviolet Science and Technology, Grant No. EEC-0310717. The work of one author (W.R.J.) was supported in part by NSF Grant No. PHY-0456828. NR 32 TC 6 Z9 6 U1 1 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD OCT PY 2008 VL 4 IS 3-4 BP 107 EP 113 DI 10.1016/j.hedp.2008.05.003 PG 7 WC Physics, Fluids & Plasmas SC Physics GA V15DF UT WOS:000207782000006 ER PT J AU Abdallah, J Sherrill, ME AF Abdallah, Joseph, Jr. Sherrill, M. E. TI The reduced detailed configuration accounting (RDCA) model for NLTE plasma calculations SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Atomic kinetics AB The motivation for this work is to provide a more accurate and cost effective in-line NLTE capability for calculating plasma properties in large scale radiation-transport hydrodynamic simulations. A method is developed to transform the large detailed atomic models to very small models that can be used for fast in-line calculations. An averaging technique is used to reduce detailed models involving tens of thousands of states into just a few, 10-40 states, per ionization state. The reduced model is more accurate than the average atom models conventionally used in such simulations. In the present work, the averaging scheme is presented and results of the reduced model are compared to the original detailed model and the average atom model. The average ionization state of iron and uranium plasmas under various conditions of material temperature, atom number density, and radiation temperature are compared. (C) 2008 Elsevier B.V. All rights reserved. C1 [Abdallah, Joseph, Jr.; Sherrill, M. E.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Abdallah, J (reprint author), Los Alamos Natl Lab, Div Theoret, T-4,POB 1663,MS B212, Los Alamos, NM 87545 USA. EM abd@lanl.gov NR 11 TC 6 Z9 6 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD OCT PY 2008 VL 4 IS 3-4 BP 124 EP 130 DI 10.1016/j.hedp.2008.05.001 PG 7 WC Physics, Fluids & Plasmas SC Physics GA V15DF UT WOS:000207782000008 ER PT J AU Yao, P Dhanik, A Marz, N Propper, R Kou, C Liu, GF van den Bedem, H Latombe, JC Halperin-Landsberg, I Altman, RB AF Yao, Peggy Dhanik, Ankur Marz, Nathan Propper, Ryan Kou, Charles Liu, Guanfeng van den Bedem, Henry Latombe, Jean-Claude Halperin-Landsberg, Inbal Altman, Russ Biagio TI Efficient Algorithms to Explore Conformation Spaces of Flexible Protein Loops SO IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS LA English DT Article; Proceedings Paper CT 7th International Workshop on Algorithms in Bioinformatics (WABI 2007) CY SEP 08-09, 2007 CL Philadelphia, PA DE Protein kinematics; protein loop structure; conformation sampling; deformation sampling; inverse kinematics; calcium-binding proteins ID INVERSE-KINEMATICS; MOLECULAR-DYNAMICS; CLOSURE; PREDICTION; ENSEMBLES AB Several applications in biology-e. g., incorporation of protein flexibility in ligand docking algorithms, interpretation of fuzzy X-ray crystallographic data, and homology modeling- require computing the internal parameters of a flexible fragment (usually, a loop) of a protein in order to connect its termini to the rest of the protein without causing any steric clash inside the loop and with the rest of the protein. One must often sample many such conformations in order to explore and adequately represent the conformational range of the studied loop. While sampling must be fast, it is made difficult by the fact that two conflicting constraints-kinematic closure and clash avoidance-must be satisfied concurrently. This paper describes two efficient and complementary sampling algorithms to explore the space of closed clash-free conformations of a flexible protein loop. The "seed sampling" algorithm samples broadly from this space, while the "deformation sampling" algorithm uses seed conformations as starting points to explore the conformation space around them at a finer grain. Computational results are presented for various loops ranging from 5 to 25 residues. More specific results also show that the combination of the sampling algorithms with a functional site prediction software (FEATURE) makes it possible to compute and recognize calcium-binding loop conformations. The sampling algorithms are implemented in a toolkit, called LoopTK, which is available at https://simtk.org/home/looptk. C1 [Yao, Peggy; Dhanik, Ankur; Marz, Nathan; Propper, Ryan; Kou, Charles; Liu, Guanfeng; Latombe, Jean-Claude] Stanford Univ, Dept Comp Sci, Stanford, CA 94305 USA. [Yao, Peggy] Stanford Univ, Biomed Informat Dept, Stanford, CA 94305 USA. [Dhanik, Ankur] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. [van den Bedem, Henry] SSRL Joint Ctr Struct Genom, Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. [Halperin-Landsberg, Inbal] Stanford Univ, Dept Genet, Stanford, CA 94305 USA. [Altman, Russ Biagio] Stanford Univ, Dept Bioengn, Stanford, CA 94305 USA. RP Yao, P (reprint author), Stanford Univ, Dept Comp Sci, S240 Clark Ctr,318 Campus Dr, Stanford, CA 94305 USA. EM peggyyao@stanford.edu; ankurd@stanford.edu; nathan.marz@gmail.com; rpropper@cs.stanford.edu; charlesk@cs.stanford.edu; Guanfeng_Liu@us.xyratex.com; vdbedem@slac.stanford.edu; latombe@cs.stanford.edu; landsbergit@gmail.com; russ.altman@stanford.edu OI van den Bedem, Henry/0000-0003-2358-841X FU NIGMS NIH HHS [GM072970, U54 GM072970]; NLM NIH HHS [LM-05652, R01 LM005652, R01 LM005652-14] NR 31 TC 21 Z9 21 U1 0 U2 2 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1545-5963 J9 IEEE ACM T COMPUT BI JI IEEE-ACM Trans. Comput. Biol. Bioinform. PD OCT-DEC PY 2008 VL 5 IS 4 BP 534 EP 545 DI 10.1109/TCBB.2008.96 PG 12 WC Biochemical Research Methods; Computer Science, Interdisciplinary Applications; Mathematics, Interdisciplinary Applications; Statistics & Probability SC Biochemistry & Molecular Biology; Computer Science; Mathematics GA 365UC UT WOS:000260433100007 PM 18989041 ER PT J AU Osterhoudt, CF Thiessen, DB Morse, SF Marston, PL AF Osterhoudt, Curtis F. Thiessen, David B. Morse, Scot F. Marston, Philip L. TI Evanescent Acoustic Waves From Subcritical Beam Illumination: Laboratory Measurements Near a Liquid-Liquid Interface SO IEEE JOURNAL OF OCEANIC ENGINEERING LA English DT Article DE Evanescent wave; scattering; sound beam; subcritical; wave number integration ID BACKSCATTERING ENHANCEMENTS; SYNTHETIC ARRAY; SANDY BOTTOM; WATER; SOUND; TRANSMISSION; PENETRATION; SCATTERING; SHELLS; SPEED AB Grazing illumination of smooth sediments by acoustical beams generates a rapidly decaying evanescent transmitted wave. One approach to laboratory-based simulation of this process Is described in this paper. Immiscible liquids are placed in contact, and the acoustical source is placed in the liquid having the lower sound speed. The orientation of the source transducer (a piezo-composite panel) is adjusted to give subcritical beam illumination. An acoustical field that has a significant evanescent component close to the interface is generated in the second liquid. The second liquid (water) has a lower density than the liquid containing the source of the acoustical beam so that the liquid containing the source is trapped below the simulated sediment (the water). This arrangement is convenient for hydrophone scans of the detailed soundfield in the simulated sediment. Above the center of the illuminated region, close to the interface, the field decays exponentially with a fixed phase. Adjacent to the intensely illuminated region there is a sequence of quasi-nulls associated with the interference of relatively weak evanescent and nonevanescent components of the transmitted wave. Similar features are found to be present in soundfields computed using the OASES, a widely used wave-number-integration-based algorithm. C1 [Osterhoudt, Curtis F.; Thiessen, David B.; Marston, Philip L.] Washington State Univ, Dept Phys & Astron, Pullman, WA 99164 USA. [Morse, Scot F.] Western Oregon Univ, Div Comp Sci, Monmouth, OR 97361 USA. RP Osterhoudt, CF (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM cfo@lanl.gov; thiessen@wsu.edu; morses@wou.edu; marston@wsu.edu RI Thiessen, David/A-2731-2011 FU U.S. Office of Naval Research (ONR); ONR Graduate Traineeship FX This work wits supported by the U.S. Office of Naval Research (ONR). The work of C. R Osterhoudt was supported in part by all ONR Graduate Traineeship. NR 27 TC 1 Z9 1 U1 0 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0364-9059 J9 IEEE J OCEANIC ENG JI IEEE J. Ocean. Eng. PD OCT PY 2008 VL 33 IS 4 BP 397 EP 404 DI 10.1109/JOE.2008.920994 PG 8 WC Engineering, Civil; Engineering, Ocean; Engineering, Electrical & Electronic; Oceanography SC Engineering; Oceanography GA 407OY UT WOS:000263375400006 ER PT J AU Wang, HT Liu, WM Gai, W Wong, T AF Wang, Haitao Liu, Wanming Gai, Wei Wong, Thomas TI Modeling and prototyping of a flux concentrator for positron capture SO IEEE TRANSACTIONS ON MAGNETICS LA English DT Article DE equivalent circuit; flux concentrator; mutual inductance; pulsed magnet; transient magnetic field ID MAGNETIC FIELDS; CIRCUITS; DESIGN AB An adiabatic matching device (AMD) generates a tapered high-strength magnetic field to capture positrons emitted from a positron target to a downstream accelerating structure. The AMD is a key component of a positron source and represents a technical challenge. The International Linear Collider collaboration is proposing to employ a pulsed, normal-conducting, flux-concentrator to generate a 5 Tesla initial magnetic field. The flux-concentrator structure itself and the interactions between the flux-concentrator and the external power supply circuits give rise to a nontrivial system. In this paper, we present a recently developed equivalent circuit model for a flux concentrator, along with the characteristics of a prototype fabricated for validating the model. Using the model, we can obtain the transient response of the pulsed magnetic field and the field profile. Calculations based on the model and the results of measurements made on the prototype are in good agreement. C1 [Wang, Haitao; Wong, Thomas] IIT, ECE Dept, Chicago, IL 60616 USA. [Wang, Haitao; Liu, Wanming; Gai, Wei] Argonne Natl Lab, HEP Div, Argonne, IL 60439 USA. RP Wong, T (reprint author), IIT, ECE Dept, Chicago, IL 60616 USA. EM twong@ece.iit.edu FU U.S. Department of Energy Office of Science [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy Office of Science under Contract DE-AC02-06CH11357, and conducted at High Energy Physics Division of Argonne National Laboratory. The authors gratefully acknowledge their support. NR 18 TC 0 Z9 1 U1 1 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9464 EI 1941-0069 J9 IEEE T MAGN JI IEEE Trans. Magn. PD OCT PY 2008 VL 44 IS 10 BP 2402 EP 2408 DI 10.1109/TMAG.2008.2001844 PG 7 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 353MP UT WOS:000259572400022 ER PT J AU Janecek, M Moses, WW AF Janecek, Martin Moses, William W. TI Measuring Light Reflectance of BGO Crystal Surfaces SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Lambertian reflection; light collection; Monte Carlo methods; scintillation crystal ID SIMULATION PLATFORM; GATE; SPECT; PET; TOOLKIT AB A scintillating crystal's surface reflectance has to be well understood in order to accurately predict and optimize the crystal's light collection through Monte Carlo simulations. In this paper, we measure the inner surface reflectance properties for BGO. The measurements include BGO crystals with a mechanically polished surface, rough-cut surface, and chemically etched surface, and with various reflectors attached, both air-coupled and with coupling compound. The measurements are performed with a laser aimed at the center of a hemispherical shaped BGO crystal. The hemispherical shape eliminates any non-perpendicular angles for light entering and exiting the crystal. The reflected light is collected with an array of photodiodes. The laser can be set at an arbitrary angle, and the photodiode array is rotated to fully cover 2 pi of solid angle. The current produced in the photodiodes is readout with a digital multimeter connected through a multiplexer. The two rows of photodiodes achieve 5-degree by 4-degree resolution, and the current measurement has a dynamic range of 10(5) : 1. The acquired data was not described by the commonly assumed linear combination of specular and diffuse (Lambertian) distributions, except for a very few surfaces. Surface roughness proved to be the most important parameter when choosing crystal setup. The reflector choice was of less importance and of almost no consequence for rough-cut surfaces. Pure specular reflection distribution for all incidence angles was measured for polished surfaces with VM2000 film, while the most Lambertian distribution for any surface finish was measured for titanium dioxide paint. The distributions acquired in this paper will be used to create more accurate Monte Carlo models for light reflection distribution within 1360 crystals. C1 [Janecek, Martin; Moses, William W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Janecek, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM mjanecek@lbl.gov; wwmoses@lbl.gov RI Janecek, Martin/D-2517-2009 FU National Nuclear Security Administration; Office of Defense Nuclear Nonproliferation; Office of Nuclear Nonproliferation Research and Engineering [NA-22]; U.S. Department of Energy [DE-AC02-05CH11231]; [NNSA LB06-316-PD05/NN2001000] FX This work was supported by the National Nuclear Security Administration, Office of Defense Nuclear Nonproliferation, Office of Nuclear Nonproliferation Research and Engineering (NA-22) of the U.S. Department of Energy under Contract DE-AC02-05CH11231 and Grant NNSA LB06-316-PD05/NN2001000. NR 16 TC 4 Z9 4 U1 0 U2 8 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 OCT PY 2008 VL 55 IS 5 BP 2443 EP 2449 DI 10.1109/TNS.2008.2003253 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 388JI UT WOS:000262015700001 ER PT J AU Khan, A Gaponenko, IA Brown, DN AF Khan, A. Gaponenko, I. A. Brown, D. N. TI Distributed Online Conditions Database of the BaBar Experiment SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article AB This paper presents CDB-The distributed Conditions Database of the BaBar Experiment. CDB is the second major iteration of the database deployed in BaBar for production use as of October 2002. It replaced the original version of the database used through the first three years of the data taking. The new design and its implementation aims to improve the performance and scalability of the original database and addresses the emerging challenges of the distributed data production and analysis system of the Experiment. C1 [Khan, A.] Brunel Univ, Sch Engn & Design, Uxbridge UB8 3PH, Middx, England. [Gaponenko, I. A.; Brown, D. N.] Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Khan, A (reprint author), Brunel Univ, Sch Engn & Design, Uxbridge UB8 3PH, Middx, England. EM akram@slac.stanford.edu NR 8 TC 1 Z9 1 U1 0 U2 2 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 OCT PY 2008 VL 55 IS 5 BP 2579 EP 2583 DI 10.1109/TNS.2008.2002818 PG 5 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 388JJ UT WOS:000262015800001 ER PT J AU Smith, LE Gesh, CJ Pagh, RT Miller, EA Shaver, MW Ashbaker, ED Batdorf, MT Ellis, JE Kaye, WR McConn, RJ Meriwether, GH Ressler, JJ Valsan, AB Wareing, TA AF Smith, L. Eric Gesh, Christopher J. Pagh, Richard T. Miller, Erin A. Shaver, Mark W. Ashbaker, Eric D. Batdorf, Michael T. Ellis, J. Edward Kaye, William R. McConn, Ronald J. Meriwether, George H. Ressler, Jennifer J. Valsan, Andrei B. Wareing, Todd A. TI Coupling Deterministic and Monte Carlo Transport Methods for the Simulation of Gamma-Ray Spectroscopy Scenarios SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Deterministic algorithms; gamma-ray spectroscopy; modeling; nuclear measurements; radiation detectors; radiation monitoring; simulation AB Simulation is often used to predict the response of gamma-ray spectrometers in technology viability and comparative studies for homeland and national security scenarios. Candidate radiation transport methods generally fall into one of two broad categories: stochastic (Monte Carlo) and deterministic. Monte Carlo methods are the most heavily used in the detection community and are particularly effective for calculating pulse-height spectra in instruments. However, computational times for scattering- and attenuation-dominated problems can be extremely long-many hours or more on a typical desktop computer. Deterministic codes that discretize the transport in space, angle, and energy offer potential advantages in computational efficiency for these same kinds of problems, but pulse-height calculations are not readily accessible. This paper investigates a method for coupling angular flux data produced by a three-dimensional deterministic code to a Monte Carlo model of a gamma-ray spectrometer. Techniques used to mitigate ray effects, a potential source of inaccuracy in deterministic field calculations, are described. Strengths and limitations of the coupled methods, as compared to purely Monte Carlo simulations, are highlighted using example gamma-ray detection problems and two metrics: 1) accuracy when compared to empirical data and 2) computational time on a typical desktop computer. C1 [Smith, L. Eric; Gesh, Christopher J.; Pagh, Richard T.; Miller, Erin A.; Shaver, Mark W.; Ashbaker, Eric D.; Batdorf, Michael T.; Ellis, J. Edward; McConn, Ronald J.; Meriwether, George H.; Ressler, Jennifer J.; Valsan, Andrei B.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Kaye, William R.] Univ Michigan, Nucl Engn & Radiol Sci Dept, Ann Arbor, MI 48105 USA. [Wareing, Todd A.] Transpire Inc, Gig Harbor, WA 98335 USA. RP Smith, LE (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM eric.smith@pnl.gov RI Ressler, Jennifer Jo/F-2279-2010 FU U.S. National Nuclear Security Administration; Nonproliferation Research and Development; U.S. Department of Homeland Security Domestic Nuclear Detection Office FX Manuscript received June 25, 2007; revised April 08, 2007. Current version published December 04, 2008. This work was supported by the U.S. National Nuclear Security Administration, Nonproliferation Research and Development, and the U.S. Department of Homeland Security Domestic Nuclear Detection Office. NR 14 TC 8 Z9 8 U1 0 U2 7 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 OCT PY 2008 VL 55 IS 5 BP 2598 EP 2606 DI 10.1109/TNS.2008.2002819 PG 9 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 388JJ UT WOS:000262015800004 ER PT J AU Pratte, JF Junnarkar, S Deptuch, G Fried, J O'Connor, P Radeka, V Vaska, P Woody, C Schlyer, D Stoll, S Maramraju, SH Krishnamoorthy, S Lecomte, R Fontaine, R AF Pratte, Jean-Francois Junnarkar, Sachin Deptuch, Grzegorz Fried, Jack O'Connor, Paul Radeka, Veljko Vaska, Paul Woody, Craig Schlyer, David Stoll, Sean Maramraju, Sri Harsha Krishnamoorthy, Srilalan Lecomte, Roger Fontaine, Rejean TI The RatCAP Front-End ASIC SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE ASIC; CMOS; PET; PET/MR; photon noise; RatCAP; timing resolution ID PET SCANNER; DESIGN; PERFORMANCE; DETECTORS; SYSTEM; NOISE AB We report on the design and characterization of a new ASIC for the RatCAP, a head-mounted miniature PET scanner intended for neurological and behavioral studies of an awake rat. The ASIC is composed of 32 channels, each consisting of a charge sensitive preamplifier, a 5-bit programmable gain in the pole-zero network, a 3(rd) order bipolar semi-Gaussian shaper (peaking time or 80 ns), and a timing and energy discriminator. The energy discriminator in each channel is used to arm the zero-crossing discriminator and can be programmed to use either a low energy threshold or an energy gating window. A 32-to-1 serial encoder is embedded to multiplex into a single output the timing information and channel address of every event. Finally, LVDS I/O were integrated on chip to minimize the digital noise on the read-out PCB. The ASIC was realized in the TSMC 0.18 mu m technology, has a size of 3.3 mm x 4.5 mm and a power consumption of 177 mW. The gate length of the N-channel MOSFET input device of the charge sensitive preamplifier was increased to minimize 1/f noise. This led to a factor similar to 1.5 improvement of the ENC with respect to the first version of the ASIC [1]. An ENC of 650 e-rms was measured with the APD biased at the input. In order to predict the achievable timing resolution, a model was derived to estimate the photon noise contribution to the timing resolution. Measurements were performed to validate the model, which agreed within 12%. The coincidence timing resolution between two typical LSO-APD-ASIC modules was measured using a(68)Ge source. Applying a threshold at 420 keV, a timing resolution of 6.7 ns FWHM was measured. An energy resolution of 18.7% FWHM at 511 keV was measured for a(68)Ge source. C1 [Pratte, Jean-Francois; Junnarkar, Sachin; Deptuch, Grzegorz; Fried, Jack; O'Connor, Paul; Radeka, Veljko; Vaska, Paul; Woody, Craig; Schlyer, David; Stoll, Sean] Brookhaven Natl Lab, Broohaven, NY 11973 USA. [Maramraju, Sri Harsha; Krishnamoorthy, Srilalan] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Lecomte, Roger; Fontaine, Rejean] Univ Sherbrooke, Sherbrooke, PQ J1K 2R1, Canada. RP Pratte, JF (reprint author), Brookhaven Natl Lab, Broohaven, NY 11973 USA. EM jfpratte@bnl.gov FU Office of Basic Sciences of the U.S. Department of Energy [AC02-98CH10886] FX Manuscript received May 13, 2008; revised July 30, 2008. Current version published December 04, 2008. This work was supported by the Office of Basic Sciences of the U.S. Department of Energy and has been authored by employees of Brookhaven Science Associates, LLC under Contract DE-AC02-98CH10886 with the U.S. Department of Energy. NR 23 TC 14 Z9 14 U1 3 U2 7 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 OCT PY 2008 VL 55 IS 5 BP 2727 EP 2735 DI 10.1109/TNS.2008.2004275 PG 9 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 388JJ UT WOS:000262015800022 ER PT J AU Bolotnikov, AE Abdul-Jabbar, NM Babalola, OS Camarda, GS Cui, Y Hossain, AM Jackson, EM Jackson, HC James, JA Kohman, KT Luryi, AL James, RB AF Bolotnikov, A. E. Abdul-Jabbar, N. M. Babalola, O. S. Camarda, G. S. Cui, Y. Hossain, A. M. Jackson, E. M. Jackson, H. C. James, J. A. Kohman, K. T. Luryi, A. L. James, R. B. TI Effects of Te Inclusions on the Performance of CdZnTe Radiation Detectors SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE CdZnTe; radiation detectors; Te inclusions ID DEFECTS; GROWTH AB Te inclusions existing at high concentrations in CdZnTe (CZT) material can degrade the performance of CZT detectors. These microscopic defects trap the free electrons generated by incident radiation, so entailing significant fluctuations in the total collected charge and thereby strongly affecting the energy resolution of thick (long-drift) detectors. Such effects were demonstrated in thin planar detectors, and, in many cases, they proved to be the dominant cause of the low performance of thick detectors, wherein the fluctuations in the charge losses accumulate along the charge's drift path. We continued studying this effect using different tools and techniques. We employed a dedicated beam-line recently established at BNL's National Synchrotron Light Source for characterizing semiconductor radiation detectors, along with an IR transmission microscope system, the combination of which allowed us to correlate the concentration of defects with the devices' performances. We present here our new results from testing over 50 CZT samples grown by different techniques. Our goals are to establish tolerable limits on the size and concentrations or these detrimental Te inclusions in CZT material, and to provide feedback to crystal growers to reduce their numbers in the material. C1 [Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Hossain, A. M.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11793 USA. [Abdul-Jabbar, N. M.] Univ Michigan, Ann Arbor, MI 48104 USA. [Babalola, O. S.; Jackson, E. M.; Jackson, H. C.] Vanderbilt Univ, Nashville, TN 37235 USA. [James, J. A.] Tennessee Technol Univ, Cookeville, TN 38505 USA. [Kohman, K. T.] Kansas State Univ, Manhattan, KS 66506 USA. [Luryi, A. L.] Cornell Univ, Ithaca, NY 14853 USA. RP Bolotnikov, AE (reprint author), Brookhaven Natl Lab, Upton, NY 11793 USA. EM bolotnik@bnl.gov FU U.S. Department of Energy, Office of Nonproliferation Research and Engineering, NA-22; Brookhaven Science Associates, LLC [DE-AC02-98CH1-886]; U.S. Department of Energy FX This work was supported by the U.S. Department of Energy, Office of Nonproliferation Research and Engineering, NA-22. The manuscript has been authored by Brookhaven Science Associates, LLC under Contract DE-AC02-98CH1-886 with the U.S. Department of Energy. NR 17 TC 39 Z9 40 U1 1 U2 13 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 OCT PY 2008 VL 55 IS 5 BP 2757 EP 2764 DI 10.1109/TNS.2008.2003355 PG 8 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 388JJ UT WOS:000262015800026 ER PT J AU Cui, YG Bolotnikov, A Camarda, G Hossain, A James, RB De Geronimo, G Fried, J O'Connor, P Kargar, A Harrison, MJ McGregor, DS AF Cui, Yonggang Bolotnikov, Aleksey Camarda, Giuseppe Hossain, Anwar James, Ralph B. De Geronimo, Gianluigi Fried, Jack O'Connor, Paul Kargar, Alireza Harrison, Mark J. McGregor, Douglas S. TI Hand-Held Gamma-Ray Spectrometer Based on High-Efficiency Frisch-Ring CdZnTe Detectors SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE CdZnTe; CZT detector array; Frisch-ring detector; gamma-ray spectrometer ID SEMICONDUCTOR RADIATION DETECTOR; PERFORMANCE; ARRAYS AB Frisch-ring CdZnTe detectors have demonstrated both good energy resolution, < 1% FWHM at 662 keV, and good efficiency in detecting gamma rays, highlighting the strong potential of CdZnTe materials for such applications. We are designing a hand-held gamma-ray spectrometer based on Frisch-ring detectors at Brookhaven National Laboratory. It employs an 8 x 8 CdZnTe detector array to achieve a high volume of 19.2 cm(3), so greatly improving detection efficiency. By using the front-end application-specific integrated circuits (ASICs) developed at BNL, this spectrometer has a small profile and high energy-resolution. It includes a signal processing circuit, digitization and storage circuits, a high-voltage module, and a universal serial bus (USB) interface. In this paper, we detail the system's structure and report the results of our tests with it. C1 [Cui, Yonggang; Bolotnikov, Aleksey; Camarda, Giuseppe; Hossain, Anwar; James, Ralph B.; De Geronimo, Gianluigi; Fried, Jack; O'Connor, Paul] Brookhaven Natl Lab, Upton, NY 11973 USA. [Kargar, Alireza; Harrison, Mark J.; McGregor, Douglas S.] Kansas State Univ, Manhattan, KS 66506 USA. RP Cui, YG (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM ycui@bnl.gov; mcgregor@ksu.edu FU Brookhaven Science Associates, LLC [DE-AC02-98CH1-886]; U.S. Department of Energy, Office of Nonproliferation Research and Development (NA22) FX This work was supported by Brookhaven Science Associates, LLC under Contract DE-AC02-98CH1-886 with the U.S. Department of Energy, Office of Nonproliferation Research and Development (NA22). The U.S. 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 U.S. Government purposes. NR 16 TC 4 Z9 4 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 OCT PY 2008 VL 55 IS 5 BP 2765 EP 2769 DI 10.1109/TNS.2008.2004803 PG 5 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 388JJ UT WOS:000262015800027 ER PT J AU Scarpazza, DP Villa, O Petrini, F AF Scarpazza, Daniele Paolo Villa, Oreste Petrini, Fabrizio TI Efficient breadth-first search on the Cell/BE processor SO IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS LA English DT Article DE multicore processors; parallel computing; Cell Broadband Engine; parallelization techniques; graph exploration algorithms; Breadth-First Search (BFS) ID WORMHOLE NETWORKS AB Multicore processors are an architectural paradigm shift that promises a dramatic increase in performance. But, they also bring an unprecedented level of complexity in algorithmic design and software development. In this paper, we describe the challenges involved in designing a Breadth-First Search (BFS) algorithm for the Cell Broadband Engine (Cell/BE) processor. The proposed methodology combines a high-level algorithmic design that captures the machine-independent aspects to guarantee portability with performance to future processors, with an implementation that embeds processor-specific optimizations. Using a fine-grained global coordination strategy derived from the Bulk-Synchronous Parallel (BSP) model, we have derived an accurate performance model that has guided the implementation and the optimization of our algorithm. Our experiments show an almost linear scaling over the number of used synergistic processing elements in the Cell/BE platform and compares favorably against other systems. On graphs that offer sufficient parallelism, the Cell/BE is typically an order of magnitude faster than conventional processors, such as the AMD Opteron, the Intel Pentium 4, and the Intel Woodcrest and custom-designed architectures such as the MTA-2 and BlueGene/L. C1 [Scarpazza, Daniele Paolo; Petrini, Fabrizio] IBM Corp, Thomas J Watson Res Ctr, Cell Solut Dept, Yorktown Hts, NY 10598 USA. [Villa, Oreste] Pacific NW Natl Lab, Appl Comp Sci Grp, Richland, WA 99352 USA. [Villa, Oreste] Politecn Milan, Dipartimento Elettr & Informat, I-20133 Milan, Italy. RP Scarpazza, DP (reprint author), IBM Corp, Thomas J Watson Res Ctr, Cell Solut Dept, 134 Kitchawan Rd,POB 218, Yorktown Hts, NY 10598 USA. EM dpscarpazza@us.ibm.com; ovilla@elet.polimi.it; fpetrin@us.ibm.com NR 53 TC 23 Z9 24 U1 0 U2 5 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1045-9219 EI 1558-2183 J9 IEEE T PARALL DISTR JI IEEE Trans. Parallel Distrib. Syst. PD OCT PY 2008 VL 19 IS 10 BP 1381 EP 1395 DI 10.1109/TPDS.2007.70811 PG 15 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA 340JP UT WOS:000258642200007 ER PT J AU Keidar, M Raitses, Y Gallimore, AD Boeuf, JP AF Keidar, Michael Raitses, Yevgeny Gallimore, Alec D. Boeuf, Jean-Pierre TI Special Issue on Plasma Propulsion SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Editorial Material ID CYLINDRICAL HALL THRUSTER; VACUUM-ARC THRUSTER; ELECTRON-TRANSPORT; DISCHARGE; FIELD; MODEL; SIMULATIONS; PERFORMANCE; CATHODES C1 [Keidar, Michael] George Washington Univ, Washington, DC 20052 USA. [Raitses, Yevgeny] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Gallimore, Alec D.] Univ Michigan, Ann Arbor, MI 48109 USA. [Boeuf, Jean-Pierre] Univ Toulouse, F-31000 Toulouse, France. RP Keidar, M (reprint author), George Washington Univ, Washington, DC 20052 USA. NR 39 TC 5 Z9 5 U1 1 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD OCT PY 2008 VL 36 IS 5 BP 1962 EP 1966 DI 10.1109/TPS.2008.2005834 PN 1 PG 5 WC Physics, Fluids & Plasmas SC Physics GA 378ZG UT WOS:000261363100001 ER PT J AU Smirnov, A Raitses, Y Fisch, NJ AF Smirnov, A. Raitses, Y. Fisch, N. J. TI Controlling the Plasma Flow in the Miniaturized Cylindrical Hall Thruster SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Cross-field discharge; Langmuir probe; magnetic mirror; plasma thruster ID CROSS-FIELD TRANSPORT AB A substantial narrowing of the plume of the cylindrical Hall thruster (CHT) was observed upon the enhancement of the electron emission from the hollow-cathode discharge, which implies the possibility for the thruster efficiency increase due to the ion-beam focusing. It is demonstrated that the miniaturized CHT can be operated in the non-self-sustained regime, with the discharge current being controlled by the cathode electron emission. The thruster operation in this mode greatly expands the range of the plasma and discharge parameters normally accessible for the CHT. The observed variation of the plasma potential, electron temperature, and plasma density with the cathode current in the non-self-sustained regime points to the fact that the cathode discharge can affect the electron cross-field transport in the CHT plasma. C1 [Smirnov, A.] Tri Alpha Energy Inc, Foothill Ranch, CA 92610 USA. [Raitses, Y.; Fisch, N. J.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. RP Smirnov, A (reprint author), Tri Alpha Energy Inc, Foothill Ranch, CA 92610 USA. EM yraitses@pppl.gov NR 29 TC 10 Z9 10 U1 1 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD OCT PY 2008 VL 36 IS 5 BP 1998 EP 2003 DI 10.1109/TPS.2008.2002148 PN 1 PG 6 WC Physics, Fluids & Plasmas SC Physics GA 378ZG UT WOS:000261363100005 ER PT J AU Garrigues, L Hagelaar, GJM Boeuf, JP Raitses, Y Smirnov, A Fisch, NJ AF Garrigues, Laurent Hagelaar, Gerjan J. M. Boeuf, Jean Pierre Raitses, Yevgeny Smirnov, Artem Fisch, Nathaniel J. TI Simulations of a Miniaturized Cylindrical Hall Thruster SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Cylindrical Hall thruster (CHT); simulations ID ELECTRON-IMPACT; CROSS-SECTIONS; IONIZATION; TRANSPORT; MODEL; XENON AB A miniaturized cylindrical Hall thruster (CHT) is studied using a 2-D hybrid model. The simulation results are compared with experimental results for 100-W laboratory CHT. The channel of this thruster has a short coaxial part and a longer cylindrical region with a larger volume-to-surface ratio to reduce erosion. The 2-D model combines a fluid description of the electrons (continuity and momentum equations) and a particle description of the ions and the neutral atoms. The simulations confirm that the ionization takes place in the annular part of the channel, while the unusually high propellant utilization efficiency is found to be due to doubly charged ions. C1 [Garrigues, Laurent; Hagelaar, Gerjan J. M.; Boeuf, Jean Pierre] Univ Toulouse, Lab Plasma & Convers Energie, CNRS, F-31062 Toulouse 9, France. [Raitses, Yevgeny; Smirnov, Artem; Fisch, Nathaniel J.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Garrigues, L (reprint author), Univ Toulouse, Lab Plasma & Convers Energie, CNRS, F-31062 Toulouse 9, France. EM laurent.garrigues@laplace.univ.tlse.fr; gerjan.hagelaar@laplace.univ-tlse.fr; jpb@laplace.univ-tlse.fr; yraitses@pppi.gov; asmirnov@trialphanenergy.com; fisch@princeton.edu NR 23 TC 5 Z9 5 U1 0 U2 6 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD OCT PY 2008 VL 36 IS 5 BP 2034 EP 2042 DI 10.1109/TPS.2008.2003976 PN 1 PG 9 WC Physics, Fluids & Plasmas SC Physics GA 378ZG UT WOS:000261363100009 ER PT J AU Polk, JE Sekerak, MJ Ziemer, JK Schein, J Qi, NS Anders, A AF Polk, James E. Sekerak, Michael J. Ziemer, John K. Schein, Jochen Qi, Niansheng Anders, Andre TI A Theoretical Analysis of Vacuum Arc Thruster and Vacuum Arc Ion Thruster Performance SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Cathodes; plasma arc devices; space vehicle propulsion; vacuum arcs ID CHARGE-STATE DISTRIBUTIONS; CATHODE EROSION; MAGNETIC-FIELDS; PARAMETERS; PLASMAS; IONIZATION; DEPENDENCE; CURRENTS; VOLTAGE; REGION AB Thrusters that exploit vacuum arc discharges to produce high-velocity plasma jets directly or as sources of plasma that is subsequently accelerated electrostatically have been proposed or are currently under development. Vacuum arc discharges exhibit certain regularities in their behavior that allow the performance of these thrusters to be described by simple semiempirical models. Empirical data on the current density distribution, charge state and velocity of ions created in vacuum are discharges, and the total cathode mass loss rate are used to develop expressions for the expected thrust and specific impulse as a function of thruster geometry. Thruster electrical efficiency and thrust-to-power ratio are calculated based on measurements of the burning voltage for given thruster operating parameters. Estimates of achievable thruster performance for a wide range of cathode materials are presented. This analysis suggests that thrusters using vacuum arc sources can be operated efficiently with a range of propellant options that gives great flexibility in specific impulse. In addition, the efficiency of plasma production in these devices appears to be largely independent of scale because the metal vapor is ionized within tens of micrometers of the cathode electron emission sites, so this approach is well suited for micropropulsion. C1 [Polk, James E.] CALTECH, Jet Prop Lab, Prop & Mat Engn Sect, Pasadena, CA 91109 USA. [Sekerak, Michael J.] Sandia Natl Labs, Missile Syst Grp, Albuquerque, NM 87185 USA. [Ziemer, John K.] CALTECH, Jet Prop Lab, Elect Prop Grp, Pasadena, CA 91109 USA. [Schein, Jochen] Univ German Armed Forces, Munich, Germany. [Qi, Niansheng] Pulse Sci, L3 Commun, San Leandro, CA 94577 USA. [Anders, Andre] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Polk, JE (reprint author), CALTECH, Jet Prop Lab, Prop & Mat Engn Sect, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. EM james.e.polk@jpl.nasa.gov RI Anders, Andre/B-8580-2009 OI Anders, Andre/0000-0002-5313-6505 NR 39 TC 19 Z9 20 U1 1 U2 8 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD OCT PY 2008 VL 36 IS 5 BP 2167 EP 2179 DI 10.1109/TPS.2008.2004374 PN 1 PG 13 WC Physics, Fluids & Plasmas SC Physics GA 378ZG UT WOS:000261363100022 ER PT J AU Allen, RJ Curry, RD Oliver, BV AF Allen, Raymond J. Curry, Randy D. Oliver, Bryan V. TI Special Issue on Pulsed Power Science and Technology SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Editorial Material C1 [Allen, Raymond J.] USN, Res Lab, Washington, DC 20375 USA. [Curry, Randy D.] Univ Missouri, Columbia, MO 65211 USA. [Oliver, Bryan V.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Allen, RJ (reprint author), USN, Res Lab, Washington, DC 20375 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD OCT PY 2008 VL 36 IS 5 BP 2495 EP 2496 DI 10.1109/TPS.2008.2006517 PN 3 PG 2 WC Physics, Fluids & Plasmas SC Physics GA 378ZJ UT WOS:000261363400001 ER PT J AU Sullivan, JS Stanley, JR AF Sullivan, James S. Stanley, Joel R. TI Wide Bandgap Extrinsic Photoconductive Switches SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Gallium nitride; light-triggered switches; photoconducting devices; photoconductivity; semiconductor switches; silicon carbide AB Semi-insulating silicon carbide and gallium nitride are attractive materials for compact high-voltage photoconductive semiconductor switches (PCSSs) due to their large bandgap, high critical electric field strength, and high electron saturation velocity. Carriers must be optically generated throughout the volume of the photoswitch to realize the benefits of the high bulk electric field strength of the 6H-SiC (3 MV/cm) and GaN (3.5 MV/cm) materials. This is accomplished by optically exciting deep extrinsic levels in vanadium-compensated semi-insulating 6H-SiC and iron-compensated semi-insulating GaN. Photoconducting switches with opposing electrodes were fabricated on a-plane 6H-SiC and c-plane GaN substrates. This paper reports what we believe to be the first results of high power photoconductive switching in bulk semi-insulating GaN and reviews the first phase of switch tests of a-plane 6H-SiC PCSS devices. C1 [Sullivan, James S.; Stanley, Joel R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Sullivan, JS (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM sullivan1@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 9 TC 13 Z9 15 U1 3 U2 24 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD OCT PY 2008 VL 36 IS 5 BP 2528 EP 2532 DI 10.1109/TPS.2008.2002147 PN 3 PG 5 WC Physics, Fluids & Plasmas SC Physics GA 378ZJ UT WOS:000261363400006 ER PT J AU Zutavern, FJ Glover, SF Reed, KW Cich, MJ Mar, A Swalby, ME Saiz, TA Horry, ML Gruner, FR White, FE AF Zutavern, Fred J. Glover, Steven F. Reed, Kim W. Cich, Michael J. Mar, Alan Swalby, Michael E. Saiz, Therese A. Horry, Michael L. Gruner, Fred R. White, Forest E. TI Fiber-Optically Controlled Pulsed Power Switches SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Fiber-optic triggers; high voltage triggers; low jitter triggers; photoconductive semiconductor switches (PCSSs); pulsed power trigger generators (TGs); triggering pulsed power switches AB The development and testing of fiber-optically controlled trigger generators (TGs) based on high gain photoconductive semiconductor switches (PCSSs), constructed from high resistivity GaAs, are described in this paper. The TGs are optimized to trigger the high voltage switches (HVSs) in pulsed power systems, where they control the timing synchronization and amplitude variation of multiple pulse forming lines that combine to produce the total system output. Future pulsed power systems are even more dependent on triggering, as they consist of many more HVS and, in some cases, produce shaped pulses by independent timing of the HVS. The goal of the PCSS TG is to improve timing precision and replace high voltage trigger cables or line-of-sight optics with fiber-optic trigger control. The PCSS trigger has independent EMP-free timing control via 200-mu m-diameter optical fibers. This design is simpler than other TG because optical isolation allows PCSS triggers to be remotely located near the HVS at any voltage. PCSS can improve the performance of prime power HVS, diverters, and diagnostics by supplying trigger pulses with subnanosecond jitter and rise time that are more precise and easily adjusted than the conventional TG. For pulse-charged HVS, the PCSS TG can generally derive their trigger energy from the stray fields of the RVS. High gain PCSS capabilities for producing pulsed power TG have been demonstrated previously (not all simultaneously): 220 kV, 8 kA, 350-ps rise time, 100-ns pulsewidth, 50-ps rms jitter, and 10-kHz repetition rate. Furthermore, PCSS has previously triggered a 300-kV trigatron with 100-ps rms jitter. C1 [Zutavern, Fred J.; Glover, Steven F.; Reed, Kim W.; Cich, Michael J.; Mar, Alan; Swalby, Michael E.; Saiz, Therese A.; Horry, Michael L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Gruner, Fred R.] Kinetech LLC, Olympia, WA 98501 USA. [White, Forest E.] Ktech Corp Inc, Albuquerque, NM 87123 USA. RP Zutavern, FJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM fjzutav@sandia.gov NR 20 TC 17 Z9 24 U1 1 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD OCT PY 2008 VL 36 IS 5 BP 2533 EP 2540 DI 10.1109/TPS.2008.2004367 PN 3 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 378ZJ UT WOS:000261363400007 ER PT J AU Ormond, EC Cordova, SR Molina, I Nelson, DS Smith, JR Corrow, GD Hansen, MD Henderson, DJ Mitton, CV AF Ormond, Eugene C. Cordova, Steve R. Molina, Isidro Nelson, Daniel S. Smith, John R. Corrow, George D. Hansen, Mark D. Henderson, David J. Mitton, Charles V. TI Cygnus Diverter Switch Analysis SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Pulse power system switches; radiography; switched resistor circuits; X-rays ID ROD-PINCH DIODE AB The Cygnus Dual Beam Radiographic Facility consists of two 2.25-MV 60-kA 50-ns X-ray sources fielded in an underground laboratory at the Nevada Test Site. The tests performed in this laboratory involve the study of the dynamic properties of plutonium and are called subcritical experiments. From end to end, the Cygnus machines utilize the following components: Marx generator, water-filled pulse-forming line (PFL), water-filled coaxial transmission line, three-cell induction voltage adder (IVA), and rod-pinch diode. The upstream transmission line interface to the PFL is via a radial insulator with coaxial geometry. The downstream transmission line terminates in a manifold where the center conductor splits into three lines which individually connect to each of the IVA cell inputs. There is an impedance mismatch at this juncture. It is a concern that a reflected pulse, due to anomalous behavior in the IVA or diode, might initiate breakdown upon arrival at the upstream PFL/transmission line insulator. Therefore, near the beginning of the transmission line, a radial diverter switch is installed to protect the insulator from overvoltage and breakdown. The diverter has adjustable gap spacing and an in-line aqueous-solution (sodium thiosulfate) resistor array for energy dissipation. There are capacitive voltage probes at both ends of the transmission line and on the diverter switch. These voltage signals will he analyzed to determine diverter performance. C1 [Ormond, Eugene C.; Nelson, Daniel S.] Sandia Natl Labs, Mercury, NV 89023 USA. [Cordova, Steve R.; Molina, Isidro] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Smith, John R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Corrow, George D.; Hansen, Mark D.] Bechtel Nevada, Las Vegas, NV 89101 USA. [Henderson, David J.; Mitton, Charles V.] Natl Secur Technol, N Las Vegas, NV 89030 USA. RP Ormond, EC (reprint author), Sandia Natl Labs, Mercury, NV 89023 USA. EM eormond@sandia.gov; srcordo@sandia.gov; imolina@sandia.gov; dsnelso@sandia.gov; smith@lanl.gov; corrowgd@nv.doe.gov; hansenmd@nv.doe.gov; mittoncv@nv.doe.gov; henderdj@nv.doe.gov FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AI.85000] 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-AC04-94AI.85000. NR 7 TC 1 Z9 2 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD OCT PY 2008 VL 36 IS 5 BP 2554 EP 2559 DI 10.1109/TPS.2008.2004270 PN 3 PG 6 WC Physics, Fluids & Plasmas SC Physics GA 378ZJ UT WOS:000261363400010 ER PT J AU Zhao, G Joshi, RP Rogers, S Schamiloglu, E Hjalmarson, HP AF Zhao, G. Joshi, R. P. Rogers, S. Schamiloglu, E. Hjalmarson, H. P. TI Simulation Studies for Nonlinear-Transmission-Line Based Ultrafast Rise Times and Waveform Shaping for Pulsed-Power Applications SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Barium strontium titanate (BST); high-voltage pulsing; nonlinear transmission lines; rise-time sharpening; Voronoi network model analysis ID BARIUM-STRONTIUM-TITANATE; THIN-FILMS; ZNO VARISTORS; HIGH-VOLTAGE; SHOCK-WAVES; NANOSECOND; SWITCHES; DIELECTRICS; GENERATION; CAPACITORS AB The generation of high-voltage electrical pulses with very fast rise times is important for several pulsed-power applications. Although several techniques and devices have been used to generate ultrashort rise-time pulses, most suffer from problems relating to reliability, lifetime, and power-handling capacity. Here, the concept of using nonlinear transmission lines is used for attaining ultrashort rise times and pulse sharpening. Numerical simulations are carried out using barium strontium titanate as the dielectric system. The concept is based on using the nonlinear voltage-dependent capacitance of the granular material. The presence of internal grains increases the breakdown strength and also provides for a nonlinear voltage-dependent capacitance that depends on the internal grain size. The output characteristics of transmission lines based on such nonlinear material are simulated. Our results clearly demonstrated rise-time shortening. The results were in agreement with some published experimental data. C1 [Zhao, G.; Joshi, R. P.; Rogers, S.] Old Dominion Univ, Dept Elect & Comp Engn, Norfolk, VA 23529 USA. [Schamiloglu, E.] Univ New Mexico, Dept Elect & Comp Engn, Albuquerque, NM 87131 USA. [Hjalmarson, H. P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Zhao, G (reprint author), Old Dominion Univ, Dept Elect & Comp Engn, Norfolk, VA 23529 USA. FU Sandia National Laboratories; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by Sandia National Laboratories, operated by Lockheed Martin for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 37 TC 3 Z9 3 U1 1 U2 8 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD OCT PY 2008 VL 36 IS 5 BP 2618 EP 2625 DI 10.1109/TPS.2008.2004369 PN 3 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 378ZJ UT WOS:000261363400021 ER PT J AU Nelson, DS Ormond, EC Molina, I Cordova, SR Smith, JR Corrow, GD Hansen, MD Henderson, DJ Mitton, CV AF Nelson, Daniel S. Ormond, Eugene C. Molina, Isidro Cordova, Steve R. Smith, John R. Corrow, George D. Hansen, Mark D. Henderson, David J. Mitton, Charles V. TI Cygnus Trigger System SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Jitter; Marx generators; radiography; triggering AB The Cygnus Dual Beam Radiographic Facility consists of two radiographic sources (Cygnus 1 and 2), each with a dose rating of 4 rd at I m, and a I-mm-diameter spot size. The electrical specifications are the following: 2.25 MV, 60 kA, and 60 ns. This facility is located in an underground environment at the Nevada Test Site (N'rs). These sources were developed as a primary diagnostic for subcritical experiments (SCEs), which are single-shot high-value events. The SCE program was initiated after the 1992 moratorium on underground nuclear testing in support of stockpile stewardship. In such an application, there is an emphasis on reliability and reproducibility. A robust low-jitter trigger system is a key element for meeting these goals. The trigger system was developed with both commercial and project-specific equipment. Although not a trigger element, Marx is included in the analysis since it is the target of the final trigger and is a source of jitter. In addition to the traditional function of a trigger system, there are novel features added to the Cygnus Trigger System to protect the investment of a high-value shot. Details of the trigger system, including elements designed specifically for a subcritical test application, will be presented. The individual electronic components have their nominal delay, and when assembled, they have a system delay with a measured range of jitter. The shot-to-shot jitter will be assessed both individually and in combination. Trigger reliability and reproducibility results will be presented for a substantial number of shots executed at the NTS. C1 [Nelson, Daniel S.; Ormond, Eugene C.; Molina, Isidro; Cordova, Steve R.] Sandia Natl Labs, Mercury, NV 89023 USA. [Smith, John R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Nelson, DS (reprint author), Sandia Natl Labs, Mercury, NV 89023 USA. EM dsnelso@sandia.gov; smith@lanl.gov FU U.S. 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 U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 7 TC 0 Z9 0 U1 2 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD OCT PY 2008 VL 36 IS 5 BP 2730 EP 2737 DI 10.1109/TPS.2008.2003533 PN 3 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 378ZJ UT WOS:000261363400035 ER PT J AU Bott, SC Haas, DM Eshaq, Y Ueda, U Lebedev, SV Chittenden, JP Palmer, JBA Bland, SN Hall, GN Ampleford, DJ Beg, FN AF Bott, Simon C. Haas, David M. Eshaq, Yossof Ueda, Utako Lebedev, Sergey V. Chittenden, Jeremy P. Palmer, James B. A. Bland, Simon N. Hall, Gareth N. Ampleford, David J. Beg, Farhat N. TI Quantitative Measurements of Wire Ablation in Tungsten X-pinches at 80 kA SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Precursor plasma; wire ablation; X-pinch ID ARRAY Z-PINCHES; INSTABILITY; DYNAMICS AB This paper investigates the ablation of wires in two-wire tungsten X-pinches driven by an 80-kA current over 50 us. High-resolution imaging using a Nomarski interferometer allows measurements close to the X-pinch cross point, where the ablation "flare" structure is observed to clearly develop during the drive-current rise time. Electron density profiles are recovered as a function of both distance normal to the wire and of time. Results compare favorably to the rocket model of wire ablation. In addition, the density contrast over the ablation "stream" and "gap" structure is measured and compared to similar measurements made using quantitative radiography on the I-MA 250-ns MAGPIE generator at Imperial College London, London, U.K. C1 [Bott, Simon C.] Univ Calif San Diego, Energy Res Ctr, La Jolla, CA 92093 USA. [Haas, David M.; Eshaq, Yossof; Ueda, Utako; Beg, Farhat N.] Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 93093 USA. [Lebedev, Sergey V.; Chittenden, Jeremy P.; Bland, Simon N.; Hall, Gareth N.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, Plasma Phys Grp, London SW7 2AZ, England. [Lebedev, Sergey V.] Budker Inst Nucl Phys, Novosibirsk 630090, Russia. [Palmer, James B. A.] AWE Plc, Dept Plasma Phys, Aldermaston RG7 4PR, England. [Ampleford, David J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Bott, SC (reprint author), Univ Calif San Diego, Energy Res Ctr, La Jolla, CA 92093 USA. EM sbott@ucsd.edu; dmhaas@ucsd.edu; yeshaq@ucsd.edu; uueda@ucsd.edu; S.Lebedev@imperial.ac.uk; J.Chittenden@imperial.ac.uk; James.Palmer@imperial.ac.uk; SN.Bland@imperial.ac.uk; Gareth.Hall@imperial.ac.uk; DAMPLEF@Sandia.gov; fbeg@ucsd.edu RI Hall, Gareth/C-4179-2015 FU U.S. Department of Energy [DE-FG02-05ER54842] FX This work was supported by U.S. Department of Energy Junior Faculty Grant DE-FG02-05ER54842. NR 13 TC 9 Z9 9 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD OCT PY 2008 VL 36 IS 5 BP 2759 EP 2764 DI 10.1109/TPS.2008.2003964 PN 3 PG 6 WC Physics, Fluids & Plasmas SC Physics GA 378ZJ UT WOS:000261363400039 ER PT J AU Ticos, CM Wang, ZH Wurden, GA AF Ticos, Catalin M. Wang, Zhehui Wurden, Glen A. TI Hypervelocity Dust Storm Launched With a Coaxial Plasma Gun SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Coaxial plasma gun; dust particles; hypervelocity; plasma drag; plasma flow ID INJECTION; FLOW; ACCELERATOR; COMPRESSOR AB A dust storm consisting of carbon grains accelerated to speeds of up to similar to 3 km/s has been launched by a plasma jet produced in a coaxial gun. Diamond and graphite powders with grain radii of 0.5-30 mu m have been used. A distinctive feature of this plasma accelerator is that it can use different types of gases and can operate with microparticles having a large range of sizes. Deuterium gas and carbon dust are chosen to be compatible with fusion plasmas as a diagnostic tool. The operating voltages of the coaxial gun are between 5 and 10 kV, and the maximum measured discharge current is 250 kA. High-speed imaging of the plasma jet accelerated by the J x B force, and exiting the gun at 34 km/s, shows a good collimation of the flow for about 1.5 m before it diverges inside a large vacuum tank. C1 [Ticos, Catalin M.; Wang, Zhehui; Wurden, Glen A.] Los Alamos Natl Lab, Plasma Phys Grp P 24, Los Alamos, NM 87545 USA. RP Ticos, CM (reprint author), Los Alamos Natl Lab, Plasma Phys Grp P 24, Los Alamos, NM 87545 USA. EM cata_ticos@yahoo.com RI Ticos, Catalin/F-1677-2011; Wurden, Glen/A-1921-2017 OI Wurden, Glen/0000-0003-2991-1484 FU U.S. Department of Energy [DE-AC52-06NA25396] FX This work was supported in part by the U.S. Department of Energy under Contract DE-AC52-06NA25396 through the Office of Science. NR 19 TC 1 Z9 2 U1 0 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD OCT PY 2008 VL 36 IS 5 BP 2770 EP 2774 DI 10.1109/TPS.2008.2003972 PN 3 PG 5 WC Physics, Fluids & Plasmas SC Physics GA 378ZJ UT WOS:000261363400041 ER PT J AU Baker, CG Absil, PA Gallivan, KA AF Baker, C. G. Absil, P. -A. Gallivan, K. A. TI An implicit trust-region method on Riemannian manifolds SO IMA JOURNAL OF NUMERICAL ANALYSIS LA English DT Article ID GENERALIZED EIGENVALUE PROBLEM; CONJUGATE-GRADIENT METHOD; NEWTONS METHOD; JACOBI-DAVIDSON; MINIMIZATION; OPTIMIZATION; ALGORITHMS; ITERATION; GEOMETRY AB We propose and analyse an implicit trust-region method in the general setting of Riemannian manifolds. The method is implicit in that the trust region is defined as a superlevel set of the rho ratio of the actual over-predicted decrease in the objective function. Since this method potentially requires the evaluation of the objective function at each step of the inner iteration, we do not recommend it for problems where the objective function is expensive to evaluate. However, we show that on some instances of a very structured problem-the extreme symmetric eigenvalue problem or equivalently the optimization of the Rayleigh quotient on the unit sphere-the resulting numerical method outperforms state-of-the-art algorithms. Moreover, the new method inherits the detailed convergence analysis of the generic Riemannian trust-region method. C1 [Baker, C. G.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Baker, C. G.; Gallivan, K. A.] Florida State Univ, Sch Computat Sci, Tallahassee, FL 32306 USA. [Absil, P. -A.] Catholic Univ Louvain, Dept Ingn Math, B-1348 Louvain, Belgium. RP Baker, CG (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM cgbaker@gmail.com FU National Science Foundation [ACI0324944]; CSRI; Sandia National Laboratories [DE-AC0494AL85000] FX National Science Foundation (ACI0324944); CSRI, Sandia National Laboratories (DE-AC0494AL85000 to C.G.B.). NR 36 TC 11 Z9 11 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0272-4979 EI 1464-3642 J9 IMA J NUMER ANAL JI IMA J. Numer. Anal. PD OCT PY 2008 VL 28 IS 4 BP 665 EP 689 DI 10.1093/imanum/drn029 PG 25 WC Mathematics, Applied SC Mathematics GA 373OM UT WOS:000260981400003 ER PT J AU Lee, S Filburn, TP Gray, M Park, JW Song, HJ AF Lee, Seungmoon Filburn, Thomas P. Gray, Mac Park, Jin-Won Song, Ho-Jun TI Screening test of solid amine sorbents for CO2 capture SO INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH LA English DT Article ID CARBON-DIOXIDE; SODIUM GLYCINATE; ACTIVATED CARBON; AQUEOUS BLENDS; ABSORPTION; KINETICS; 2-AMINO-2-METHYL-1-PROPANOL; MONOETHANOLAMINE; ETHANOLAMINES; PERFORMANCE AB In this study, the absorption properties of CO2 in seven different solid amine absorbents were measured. The specific characteristics, such as absorption capacity, absorption/desorption rate, cyclic capacity, cycle decay effect, temperature of reaction in the absorber, and optimal conditions for the CO,) absorption process were measured. This absorption process occurred at two temperatures-either 296.15 or 313.15 K-while the desorption process temperature was raised to 348.15 K. The solid amines (TEPAN and E-100AN) demonstrated higher cyclic capacity than others under these conditions. Our testing showed high reproducibility for the CO2 capture of TEPAN and E-100AN in measuring their cyclic capacity. Diminished cyclic capacities were noted for the MEA and 194B materials, with measured drops at the third cycle of about 16.17% and 15.79% lower than those in the first cycle, respectively. C1 [Lee, Seungmoon; Filburn, Thomas P.] Univ Hartford, Dept Mech Engn, Clean Energy Inst, Hartford, CT 06117 USA. [Gray, Mac] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Park, Jin-Won; Song, Ho-Jun] Yonsei Univ, Dept Chem Engn, Seoul 120749, South Korea. RP Filburn, TP (reprint author), Univ Hartford, Dept Mech Engn, Clean Energy Inst, 200 Bloomfield Ave, Hartford, CT 06117 USA. EM filburn@hartford.edu RI PARK, Jinwon/G-8628-2012 FU Korea Research Foundation; Korean Government [KRF-2007-357-D00049]; US Department of Energy FX This work was supported by the Korea Research Foundation Grant funded by the Korean Government (KRF-2007-357-D00049) and the US Department of Energy. NR 29 TC 55 Z9 58 U1 0 U2 31 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 OCT 1 PY 2008 VL 47 IS 19 BP 7419 EP 7423 DI 10.1021/ie8006984 PG 5 WC Engineering, Chemical SC Engineering GA 352TJ UT WOS:000259520000036 ER PT J AU Scorzelli, G Paoluzzi, A Pascucci, V AF Scorzelli, Giorgio paoluzzi, Alberto Pascucci, Valerio TI PARALLEL SOLID MODELING USING BSP DATAFLOW SO INTERNATIONAL JOURNAL OF COMPUTATIONAL GEOMETRY & APPLICATIONS LA English DT Article DE Geometric modeling; dataflow; parallel computation ID REPRESENTATION; POLYHEDRA AB We introduce a parallel approach to geometric modeling of complex objects and scenes, combining a dataflow streaming of BSP trees with a partition of the object space into independent portions, to be evaluated in parallel with minimal interprocess communication. Binary Space Partition ( BSP) is a space index used in graphics for hidden-surface removal and animation. We use BSP trees with fuzzy leaves as a progressive representation of solid meshes. Our approach is implemented as a dataflow with processes that progress concurrently, where each refinement of the input to a process is mapped instantly to a refinement of the output, so that the result is also a stream of progressive refinements. This framework allows for progressive generation of complex geometric parts and large-scale assemblies. We have adapted several graphics techniques, including BSP, boundary polygons, CSG, splines and subdivision methods, to fit into our dataflow graph, where four types of processes produce, transform, combine or consume mesh cells. This approach is scalable over different kinds of HPC hardware and different number of computing nodes, by way of the decomposition of the object space and of the distribution of computational processes. Compiling a generative geometric expression into a dataflow graph is well suited to SMP machines, whereas a space decomposition into independent portions fits well with computing clusters and grids. C1 [Scorzelli, Giorgio; paoluzzi, Alberto] Univ Roma Tre, Dipartimento Informat & Automaz, PLM Lab, I-00146 Rome, Italy. [Pascucci, Valerio] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. RP Scorzelli, G (reprint author), Univ Roma Tre, Dipartimento Informat & Automaz, PLM Lab, Via Vasca Navale 79, I-00146 Rome, Italy. EM scorzelli@dia.uniroma3.it; paoluzzi@dia.uniroma3.it; pascucci1@llnl.gov NR 32 TC 1 Z9 1 U1 0 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-1959 J9 INT J COMPUT GEOM AP JI Int. J. Comput. Geom. Appl. PD OCT PY 2008 VL 18 IS 5 BP 441 EP 467 DI 10.1142/S0218195908002714 PG 27 WC Computer Science, Theory & Methods; Mathematics, Applied SC Computer Science; Mathematics GA 391UJ UT WOS:000262258600004 ER PT J AU Nguyen, TB Pai, MA AF Nguyen, Tony B. Pai, M. A. TI A sensitivity-based approach for studying stability impact of distributed generation SO INTERNATIONAL JOURNAL OF ELECTRICAL POWER & ENERGY SYSTEMS LA English DT Article DE dynamic stability; sensitivity analysis; power system; distribution system; trajectory sensitivities AB In this paper we investigate the impact of distributed generation (DG) on system stability using the trajectory sensitivity approach and identify the machines that are vulnerable to the addition of DG. We also vary the penetration level of DG and evaluate the influence of the DG modeling. Sensitivity formulation for the differential-algebraic equation model is presented through a single-machine infinite-bus (SMIB) example. The methodology can be extended to study the influence of parameters other than the clearing time, such as series line reactance. (c) 2008 Elsevier Ltd. All rights reserved. C1 [Nguyen, Tony B.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Pai, M. A.] Univ Illinois, Urbana, IL 61801 USA. RP Nguyen, TB (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA. EM tony.nguyen@pnl.gov FU National Science Foundation [CNS-05-40237] FX This research was Supported by the National Science Foundation Under Grant Number CNS-05-40237 NR 9 TC 11 Z9 11 U1 0 U2 0 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0142-0615 J9 INT J ELEC POWER JI Int. J. Electr. Power Energy Syst. PD OCT PY 2008 VL 30 IS 8 BP 442 EP 446 DI 10.1016/j.ijepes.2008.03.001 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA 356FD UT WOS:000259763200002 ER PT J AU Zhou, QL Birkholzer, JT Tsang, CF Rutqvist, J AF Zhou, Quanlin Birkholzer, Jens T. Tsang, Chin-Fu Rutqvist, Jonny TI A method for quick assessment of CO2 storage capacity in closed and semi-closed saline formations SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article; Proceedings Paper CT 4th Trondheim Conference on CO2 Capture, Transport and Storage CY OCT 16-17, 2007 CL Trondheim, NORWAY SP Gas Technol Ctr NTNU SINTEF DE Geological CO2 sequestration; Storage capacity; Saline aquifer; Pressure buildup; Numerical simulation ID CARBON-DIOXIDE; HYDRAULIC CONDUCTIVITY; AQUIFERS; DISPOSAL; SEQUESTRATION; RESERVOIRS; INJECTION; MEDIA; FLOW AB Saline aquifers of high permeability bounded by overlying/underlying seals may be surrounded laterally by low-permeability zones, possibly caused by natural heterogeneity and/or faulting. Carbon dioxide (CO2) injection into and storage in such "closed" systems with impervious seals, or "semi-closed" systems with non-ideal (low permeability) seals, is different from that in "open" systems, from which the displaced brine can easily escape laterally. in closed or semi-closed systems, the pressure buildup caused by continuous industrial-scale CO2 injection may have a limiting effect on CO2 storage capacity, because geomechanical damage caused by overpressure needs to be avoided. In this research, a simple analytical method was developed for the quick assessment of the CO2 storage capacity in such closed and semi-closed systems. This quick-assessment method is based on the fact that native brine (of an equivalent volume) displaced by the cumulative injected CO2 occupies additional pore volume within the storage formation and the seals, provided by pore and brine compressibility in response to pressure buildup. With non-ideal seals, brine may also leak through the seals into overlying/underlying formations. The quick-assessment method calculates these brine displacement contributions in response to an estimated average pressure buildup in the storage reservoir. The CO2 storage capacity and the transient domain-averaged pressure buildup estimated through the quick-assessment method were compared with the "true" values obtained using detailed numerical simulations of CO2 and brine transport in a two-dimensional radial system. The good agreement indicates that the proposed method can produce reasonable approximations for storage-formation-seal systems of various geometric and hydrogeological properties. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Zhou, Quanlin; Birkholzer, Jens T.; Tsang, Chin-Fu; Rutqvist, Jonny] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Zhou, QL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, 1 Cyclotron Rd,MS 90-1116, Berkeley, CA 94720 USA. EM qzhou@lbl.gov RI Zhou, Quanlin/B-2455-2009; Birkholzer, Jens/C-6783-2011; 董, 道涛/C-4000-2012; Rutqvist, Jonny/F-4957-2015 OI Zhou, Quanlin/0000-0001-6780-7536; Birkholzer, Jens/0000-0002-7989-1912; Rutqvist, Jonny/0000-0002-7949-9785 NR 39 TC 171 Z9 176 U1 6 U2 44 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD OCT PY 2008 VL 2 IS 4 SI SI BP 626 EP 639 DI 10.1016/j.ijggc.2008.02.004 PG 14 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA 364SS UT WOS:000260356200020 ER PT J AU Cortis, A Oldenburg, CM Benson, SM AF Cortis, Andrea Oldenburg, Curtis M. Benson, Sally M. TI The role of optimality in characterizing CO2 seepage from geologic carbon sequestration sites SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article; Proceedings Paper CT 4th Trondheim Conference on CO2 Capture, Transport and Storage CY OCT 16-17, 2007 CL Trondheim, NORWAY SP Gas Technol Ctr NTNU SINTEF DE Geologic storage; Monitoring networks; Optimization ID NOVELTY DETECTION; FLUX MEASUREMENTS; SURFACE; EXCHANGE; DIOXIDE; STORAGE; FOREST; ATMOSPHERE; PROJECT; LEAKAGE AB Storage of large amounts of carbon dioxide (CO2) in deep geologic formations for greenhouse-gas mitigation is gaining momentum and moving from its conceptual and testing stages towards widespread application. In this work we explore various optimization strategies for characterizing surface leakage (seepage) using near-surface measurement approaches such as accumulation chambers and eddy covariance towers. Seepage characterization objectives and limitations need to be defined carefully from the outset especially in light of large natural background variations that can mask seepage. The cost and sensitivity of seepage detection are related to four critical length scales pertaining to the size of the: (1) region that needs to be monitored; (2) footprint of the measurement approach, and (3) main seepage zone; (4) region in which concentrations or fluxes are influenced by seepage. Seepage characterization objectives may include one or all of the tasks of detecting, locating, and quantifying seepage. Each of these tasks has its own optimal strategy. Detecting and locating seepage in a region in which there is no expected or preferred location for seepage nor existing evidence for seepage requires monitoring on a fixed grid, e.g., using eddy covariance towers. The fixed-grid approaches needed to detect seepage are expected to require large numbers of eddy covariance towers for large-scale geologic CO2 storage. Once seepage has been detected and roughly located, seepage zones and features can be optimally pinpointed through a dynamic search strategy, e.g., employing accumulation chambers and/or soil-gas monitoring. Quantification of seepage rates can be done through measurements on a localized fixed grid once the seepage is pinpointed. Background measurements are essential for seepage detection in natural ecosystems. Artificial neural networks are considered as regression models useful for distinguishing natural system behavior from anomalous behavior suggestive of CO2 seepage without need for detailed understanding of natural system processes. Because of the local extrema in CO2 fluxes and concentrations in natural systems, simple steepest-descent algorithms are not effective and evolutionary computation algorithms are proposed as a paradigm for dynamic monitoring networks to pinpoint CO2 seepage areas. Published by Elsevier Ltd. C1 [Cortis, Andrea; Oldenburg, Curtis M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Earth Sci Div 90 1116, Berkeley, CA 94720 USA. [Benson, Sally M.] Stanford Univ, Dept Energy Resources Engn, Stanford, CA 94305 USA. RP Cortis, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Earth Sci Div 90 1116, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM acortis@lbl.gov RI Oldenburg, Curtis/L-6219-2013 OI Oldenburg, Curtis/0000-0002-0132-6016 NR 37 TC 35 Z9 35 U1 1 U2 10 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD OCT PY 2008 VL 2 IS 4 SI SI BP 640 EP 652 DI 10.1016/j.ijggc.2008.04.008 PG 13 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA 364SS UT WOS:000260356200021 ER PT J AU Mlcak, JD Anand, NK Rightley, MJ AF Mlcak, Justin D. Anand, N. K. Rightley, Michael J. TI Three-dimensional laminar flow and heat transfer in a parallel array of microchannels etched on a substrate SO INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER LA English DT Article DE Microchannel; Conjugate heat transfer; SIMPLE; Repeating array ID LIQUID FLOW; FLUID-FLOW; FRICTION AB Heat transfer and laminar fluid flow in an array of parallel microchannels etched on a silicon substrate with water as the circulating fluid was studied numerically. The fluid region consisted of a microchannel with a hydraulic diameter of 85.6 mu m and aspect ratios ranging from 0.10 to 1.0. A constant heat flux of 90 W/cm(2) was applied to the y = H face of the computational domain, which simulates thermal energy generation from an integrated circuit. Generalized transport equations were discretized and solved in three dimensions for velocities, pressure, and temperature. The SIMPLE algorithm [S.V. Patankar, Numerical Heat Transfer and Fluid Flow, Hemisphere, New York, 1980] was used to link pressure and velocity fields, and a thermally repeated boundary condition was applied in the lateral direction to model the repeating nature of the geometry. The numerical results for apparent friction coefficient and convective thermal resistance at the channel inlet and exit closely matched the experimental data in the literature for the case of 0.32 aspect ratio. Apparent friction coefficients were found to increase linearly with Reynolds number. inlet and outlet thermal resistance values monotonically decreased with increasing Reynolds number and increased with aspect ratio. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Mlcak, Justin D.; Anand, N. K.] Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA. [Rightley, Michael J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Anand, NK (reprint author), Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA. EM nkanand@tamu.edu FU Sandia National Laboratories FX The authors would like to thank Sandia National Laboratories for funding this work and sharing their experiences in microfluidics with this research team. NR 15 TC 17 Z9 17 U1 0 U2 4 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 OCT PY 2008 VL 51 IS 21-22 BP 5182 EP 5191 DI 10.1016/j.ijheatmasstransfer.2008.04.032 PG 10 WC Thermodynamics; Engineering, Mechanical; Mechanics SC Thermodynamics; Engineering; Mechanics GA 363NC UT WOS:000260273000016 ER PT J AU Lee, JI Hejzlar, P Saha, P Kazimi, MS McEligot, DM AF Lee, J. I. Hejzlar, P. Saha, P. Kazimi, M. S. McEligot, D. M. TI Deteriorated turbulent heat transfer (DTHT) of gas up-flow in a circular tube: Heat transfer correlations SO INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER LA English DT Article DE Deteriorated turbulent heat transfer; Buoyancy; Acceleration ID MIXED CONVECTION; VERTICAL TUBES AB This paper presents comparisons of recent experimental data, presented in a companion paper, to the existing correlations for heat transfer in various gas flow regimes and development of more accurate new correlations. The existing correlation of Celeta et al. showed the best agreement with the data in the turbulent heat transfer regime, while most of the existing correlations for laminar heat transfer showed unsuccessful predictions. Three new sets of correlations, each covering the mixed convection laminar, normal turbulent and deteriorated turbulent heat transfer (DTHT) regimes for heated gas up-flow, have been developed to agree better with the data in each regime. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Lee, J. I.; Hejzlar, P.; Saha, P.; Kazimi, M. S.] MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA. [McEligot, D. M.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Hejzlar, P (reprint author), MIT, Dept Nucl Sci & Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM hejzlar@mit.edu RI Lee, Jeong Ik/C-1815-2011; Lee, Jeong Ik/N-9373-2016 OI Lee, Jeong Ik/0000-0002-0322-4275 FU Idaho National Laboratory (IN) FX The authors acknowledge the financial support from the Idaho National Laboratory (IN) through the Strategic INL/MIT Nuclear Research Collaboration Program. They also thank Pete Stable of MIT for giving valuable advice in the construction of the facility and Dr. Glenn E. McCreery of INL for valuable comments on the design of the facility. NR 21 TC 9 Z9 9 U1 0 U2 4 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 OCT PY 2008 VL 51 IS 21-22 BP 5318 EP 5326 DI 10.1016/j.ijheatmasstransfer.2008.03.022 PG 9 WC Thermodynamics; Engineering, Mechanical; Mechanics SC Thermodynamics; Engineering; Mechanics GA 363NC UT WOS:000260273000029 ER PT J AU Kuchi, G Ponyavin, V Chen, YT Sherman, S Hechanova, A AF Kuchi, Gayatri Ponyavin, Valery Chen, Yitung Sherman, Steven Hechanova, Anthony TI Numerical modeling of high-temperature shell-and-tube heat exchanger and chemical decomposer for hydrogen production SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Hydrogen production; High-temperature heat exchanger; Shell-and-tube heat exchanger; Porous medium; Chemical decomposer; Sulfuric acid decomposition ID SULFURIC-ACID; CYCLE; H2SO4 AB Numerical simulations of shell-and-tube heat exchanger and chemical decomposer with straight tube configuration and porous media were performed using FLUENT6.2.16 to examine the percentage decomposition of sulfur trioxide. The decomposition process can be a part of sulfur-iodine (S-I) thermochemical water splitting cycle, which is one of the most studied cycles for hydrogen production. A steady-state, laminar, two-dimensional axisymmetric shell-and-tube model with counter flow and parallel flow arrangements and simple uniform cubical packing was developed using porous medium approach to investigate the fluid flow, heat transfer and chemical reactions in the decomposer. As per the investigation, the decomposition percentage of sulfur trioxide for counter flow arrangement was found to be 93% and that of parallel flow was 92%. Also, a high pressure drop was observed in counter flow arrangement compared to parallel flow. The effects of inlet velocity, temperature and the porous medium properties on the pressure drop across the porous medium were studied. The influence of geometric parameters mainly the diameter of the tube, diameter of the shell and the length of the porous zone on the percentage decomposition of sulfur trioxide in the tube was investigated as well. A preliminary parametric study of the mentioned configuration is conducted to explore effects of varying parameters on the decomposition of sulfur trioxide. From the performed calculations, it was found that the Reynolds number played a significant role in affecting the sulfur trioxide decomposition. The percentage decomposition decreases with an increase in Reynolds number. Surface-to-volume area ratio and activation energy were also the important parameters that influenced the decomposition percentage. A high surface-to-volume area ratio enhances the rate of the chemical reaction and high activation energy decreases the decomposition percentage. The decomposition of sulfur trioxide is calculated and compared for both counter and parallel flow arrangements. (C) 2008 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved. C1 [Kuchi, Gayatri; Ponyavin, Valery; Chen, Yitung] Univ Nevada, Dept Mech Engn, Las Vegas, NV 89154 USA. [Sherman, Steven] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Hechanova, Anthony] Univ Nevada, Harry Reid Ctr, Las Vegas, NV 89154 USA. RP Kuchi, G (reprint author), Univ Nevada, Dept Mech Engn, Las Vegas, NV 89154 USA. EM gayatrikuchi@gmail.com FU US Department of Energy [DE-FG04-01AL67356] FX This work was funded by the US Department of Energy under the contract DE-FG04-01AL67356. NR 14 TC 14 Z9 15 U1 0 U2 8 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 OCT PY 2008 VL 33 IS 20 BP 5460 EP 5468 DI 10.1016/j.ijhydene.2008.06.072 PG 9 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 373YI UT WOS:000261009000021 ER PT J AU Corbett, CL Beyah, RA Copeland, JA AF Corbett, Cherita L. Beyah, Raheem A. Copeland, John A. TI Passive classification of wireless NICs during active scanning SO INTERNATIONAL JOURNAL OF INFORMATION SECURITY LA English DT Article DE network security; wireless security; host identification AB Computer networks have become increasingly ubiquitous. However, with the increase in networked applications, there has also been an increase in difficulty to manage and secure these networks. The proliferation of 802.11 wireless networks has heightened this problem by extending networks beyond physical boundaries. We present a statistical analysis and propose the use of spectral analysis to identify the type of wireless network interface card (NIC). This mechanism can be applied to support the detection of unauthorized systems that use NICs that are different from that of a legitimate system. We focus on active scanning, a vaguely specified mechanism required by the 802.11 standard that is implemented in the hardware and software of the wireless NIC. We show that the implementation of this function influences the transmission patterns of a wireless stream that are observable through traffic analysis. Our mechanism for NIC identification uses signal processing to analyze the periodicity embedded in the wireless traffic caused by active scanning. A stable spectral profile is created from the periodic components of the traffic and used for the identity of the wireless NIC. We show that we can distinguish between NICs manufactured by different vendors, with zero false positives, using the spectral profile. Finally, we infer where, in the NIC, the active scanning algorithm is implemented. C1 [Beyah, Raheem A.] Georgia State Univ, Dept Comp Sci, Atlanta, GA 30303 USA. [Corbett, Cherita L.] Sandia Natl Labs, Comp & Network Secur Grp, Livermore, CA 94550 USA. [Copeland, John A.] Georgia Inst Technol, Commun Syst Ctr, Sch Elect & Comp Engn, Atlanta, GA 30308 USA. RP Beyah, RA (reprint author), Georgia State Univ, Dept Comp Sci, 34 Peachtree St,Suite 1451, Atlanta, GA 30303 USA. EM clcorbe@sandia.gov; rbeyah@cs.gsu.edu; jcopeland@ece.gatech.edu NR 17 TC 2 Z9 2 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1615-5262 EI 1615-5270 J9 INT J INF SECUR JI Int. J. Inf. Secur. PD OCT PY 2008 VL 7 IS 5 BP 335 EP 348 DI 10.1007/s10207-007-0053-7 PG 14 WC Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 354WV UT WOS:000259671500002 ER PT J AU Correia, JPM Siddiqui, MA Ahzi, S Belouettar, S Davies, R AF Correia, J. P. M. Siddiqui, M. A. Ahzi, S. Belouettar, S. Davies, R. TI A simple model to simulate electromagnetic sheet free bulging process SO INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES LA English DT Article DE Electromagnetic sheet forming; Finite elements; Free bulging; Viscoplasticity ID METAL; FORMULATION AB Electromagnetic sheet forming is a high-velocity forming process driven by the coupled electromagnetic and mechanical phenomena. The deformation of the workpiece is governed by the body forces (Lorentz forces) that results from a pulsed magnetic field produced by a flat spiral coil. Formability can be increased using this high-velocity forming technique due to the inertial forces and high strain rates. In this study, we consider the electromagnetic and the mechanical aspect of the process as two independent problems. The finite difference method has been employed to solve the electromagnetic equations. The pressure acting on the sheet and due to the Lorentz forces is estimated neglecting the influence of the sheet velocity on the magnetic field. Then it has been treated as a load in the mechanical problem. Numerical simulations of the mechanical problem have been performed with the commercial finite element code ABAQUS/Explicit. The magnetic pressure has been introduced in ABAQUS/Explicit as an analytical pressure distribution. The general objective of this study is to better understand the complex phenomenon of deformation and the influence of viscoplastic material behaviour during the simulation of a free bulging electromagnetic sheet forming process. (c) 2008 Elsevier Ltd. All rights reserved. C1 [Correia, J. P. M.; Siddiqui, M. A.; Ahzi, S.] Univ Strasbourg 1, IMFS UMR 7507, F-67000 Strasbourg, France. [Siddiqui, M. A.; Belouettar, S.] CRP Henri Tudor, LTI, L-1855 Luxembourg, Luxembourg. [Davies, R.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Correia, JPM (reprint author), Univ Strasbourg 1, IMFS UMR 7507, 2 Rue Boussingault, F-67000 Strasbourg, France. EM pedro@imfs.u-strasbg.fr RI Belouettar, Salim/A-1450-2011; OI Correia, Joao P/0000-0002-4881-8392 FU Ministry of Culture, High Education and Research of Luxembourg [BFR/05/115-PRLl-LB] FX This work is carried out in the framework of the Ph.D. scholarship awarded by the Ministry of Culture, High Education and Research of Luxembourg (BFR/05/115-PRLl-LB). The authors Would like to thank C.R.R Henri Tudor (Luxembourg) for their Support. NR 17 TC 34 Z9 39 U1 1 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0020-7403 J9 INT J MECH SCI JI Int. J. Mech. Sci. PD OCT-NOV PY 2008 VL 50 IS 10-11 BP 1466 EP 1475 DI 10.1016/j.ijmecsci.2008.08.008 PG 10 WC Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA 382TC UT WOS:000261627300004 ER PT J AU Kowalski, K Valiev, M AF Kowalski, Karol Valiev, Marat TI Noniterative corrections to equation-of-motion coupled-cluster excited state energies based on the reduced method of moments of coupled cluster equations SO INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY LA English DT Article DE coupled cluster; excited states; noniterative CC approaches; equation of motion CC formalism ID GAUSSIAN-BASIS SETS; CORRELATED MOLECULAR CALCULATIONS; EXCITATION-ENERGIES; CONFIGURATION-INTERACTION; ELECTRONIC STATES; RESPONSE FUNCTIONS; WAVE-FUNCTIONS; OPEN-SHELL; SIZE-CONSISTENT; FULL EOMCCSDT AB A new formalism closely related to the Method of Moments of Coupled-Cluster equations (MMCC) is obtained by embedding approximate coupled cluster (CC) or equation-of-motion CC (EOMCC) formalism into a formalism which uses cluster or excitation operators defined by excitation operators of higher rank with respect to a given approximation. Noniterative corrections akin to completely renormalized EOM-CCSD(T) corrections reveal structural similarities to the CCSD(T) corrections for the ground state. Several benchmark calculations on the O-3 and Cl2O molecules are discussed to illustrate the performance of this approach. (c) 2008 Wiley Periodicals, Inc. C1 [Kowalski, Karol; Valiev, Marat] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Kowalski, K (reprint author), Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, K1-96,POB 999, Richland, WA 99352 USA. EM karol.kowalski@pnl.gov; marat.valiev@pnl.gov FU US Department of Energy, Office of Biological and Environmental Research; US Department of Energy, Battelle Memorial Institute [DE-AC06-76RLO-1830]; Office of Naval Research [NOOO1406IP20027] FX Contract grant sponsor: US Department of Energy, Office of Biological and Environmental Research; Contract grant sponsor: US Department of Energy, Battelle Memorial Institute.; Contract grant number: DE-AC06-76RLO-1830.; Contract grant sponsor: Office of Naval Research.; Contract grant number: NOOO1406IP20027. NR 81 TC 12 Z9 12 U1 1 U2 6 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0020-7608 J9 INT J QUANTUM CHEM JI Int. J. Quantum Chem. PD OCT PY 2008 VL 108 IS 12 BP 2178 EP 2190 DI 10.1002/qua.21741 PG 13 WC Chemistry, Physical; Mathematics, Interdisciplinary Applications; Physics, Atomic, Molecular & Chemical SC Chemistry; Mathematics; Physics GA 343YR UT WOS:000258892800013 ER PT J AU Malli, GL Siegert, M Turner, DP AF Malli, Gulzari L. Siegert, Martin Turner, David P. TI All-electron all-virtual spinor space relativistic coupled-cluster calculations for molecules of heavy elements using contracted basis set: Prediction of atomization energy of PbH4 SO INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY LA English DT Article DE atomization energy; contracted basis set; relativistic correlation energy; heavy elements; PbH4; all-virtual spinor space; relativistic coupled-cluster calculations ID GAUSSIAN-BASIS SET; QUANTUM MONTE-CARLO; DIRAC-FOCK-BREIT; BODY PERTURBATION-THEORY; INCOMPLETE MODEL SPACES; CONSISTENT BASIS-SETS; LINKED-DIAGRAM; SUPERHEAVY ELEMENTS; ATOMIC SYSTEMS; BOUND-STATES AB All-electron all-virtual spinor space (AVSS) relativistic second order Moller-Plesset (RMP2), coupled-cluster singles doubles (RCCSD), RCCSD(T) (RCCSD Plus the triple excitation correction included perturbationally) calculations are reported for tetrahedral (T-d) PbH4 at various bond lengths using our finite contracted universal Gaussian basis set. Our relativistic calculations predict the RMP2, RCCSD, and RCCD(T) molecular correlation energy for PbH4 as -2.2563, -2.1917, and -2.2311 au, respectively. Ours are the first AVSS RMP2, RCCSD, and RCCSD(T) molecular calculations for electron correlation energy of the heavy element molecule PbH4. All-electron AVSS coupled-cluster calculations for the Pb atom are also reported and these were used (in conjunction with the corresponding molecular electron correlation energy calculations for PbH4) to predict atomization energy (A(e)) of PbH4 at various levels of coupled-cluster electron correlation. Our predicted atomization energy for PbH4 (at the optimized bond length of 1.749 angstrom) with our Dirac-Fock, RM.P2, RCCSD, and RCCSD(T) calculations is 5.73, 7.27, 11.24, and 11.62 eV, respectively. Neither such relativistic molecular correlation energy nor atomization energy has been reported so far for heavy polyatomic with 86 electrons. Calculation of relativistic molecular correlation energy is no more a nightmare, and bottlenecks are broken for the calculation of relativistic correlation as well as atomization energy for molecules of heavy elements. (c) 2008 Wiley Periodicals, Inc. C1 [Malli, Gulzari L.] Simon Fraser Univ, Dept Chem, Burnaby, BC V5A 1S6, Canada. [Siegert, Martin] Simon Fraser Univ, Acad Comp Serv, Burnaby, BC V5A 1S6, Canada. [Turner, David P.] Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Energy Res Sci Comp Ctr NERSC, Berkeley, CA 94720 USA. RP Malli, GL (reprint author), Simon Fraser Univ, Dept Chem, Burnaby, BC V5A 1S6, Canada. EM malli@sfu.ca FU Office of Science of the U.S. Department of Energy [DE-AC03-76SF00098]; Canada Foundation for Innovation; Alberta Innovation and Science; BC Advanced Education FX Contract grant sponsor: Office of Science of the U.S. Department of Energy.; Contract grant number: DE-AC03-76SF00098.; Contract grant sponsors: Canada Foundation for Innovation, Alberta Innovation and Science, BC Advanced Education. NR 68 TC 2 Z9 2 U1 1 U2 6 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0020-7608 J9 INT J QUANTUM CHEM JI Int. J. Quantum Chem. PD OCT PY 2008 VL 108 IS 12 BP 2299 EP 2304 DI 10.1002/qua.21756 PG 6 WC Chemistry, Physical; Mathematics, Interdisciplinary Applications; Physics, Atomic, Molecular & Chemical SC Chemistry; Mathematics; Physics GA 343YR UT WOS:000258892800025 ER PT J AU Pynn, R Fitzsimmons, MR Lee, WT Shah, VR Washington, AL Stonaha, P Littrell, K AF Pynn, Roger Fitzsimmons, M. R. Lee, W. T. Shah, V. R. Washington, A. L. Stonaha, P. Littrell, Ken TI Spin echo scattering angle measurement at a pulsed neutron source SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article AB Two experiments were performed to adapt spin echo scattering angle measurement (SESAME) to pulsed neutron sources. SESAME is an interferometric method that provides enhanced resolution of neutron scattering angles without the loss of neutron intensity that results when collimation is used to improve angular resolution. The method uses the neutron equivalent of optical wave plates to produce a phase difference between the two neutron spin components of a polarized neutron beam. Because the wave plate is inclined to the neutron beam, this phase difference depends sensitively on the trajectory of the neutron. In the absence of a sample, a second wave plate, which is parallel to the first, undoes the phase difference introduced by the first wave plate, producing a polarization identical to that of the incident neutron beam. When a scattering sample is placed between the two neutron wave plates, the cancellation of the phase difference between the neutron spin states is not perfect and the resulting neutron-beam polarization is a measure of the distribution of scattering angles. In the first experiment, thin (30 and 60 mu m-thick) magnetized Permalloy films were used as neutron wave plates. In a second experiment, current-carrying solenoids with triangular cross sections were used as birefringent prisms for neutrons. The arrangement of these prisms was such that they mimicked the effect of the neutron wave plates in the first experiment. In both experiments, correlation lengths in the scattering sample of about 1000 A were probed using very simple and inexpensive equipment. These experiments brought to light a number of advantages and disadvantages of implementing SESAME at pulsed neutron sources and provided insights into the relative merits of SESAME and traditional small-angle neutron scattering. (c) 2008 International Union of Crystallography Printed in Singapore - all rights reserved. C1 [Pynn, Roger; Shah, V. R.; Washington, A. L.; Stonaha, P.] Indiana Univ, Dept Phys, Bloomington, IN 47405 USA. [Pynn, Roger; Lee, W. T.; Littrell, Ken] Oak Ridge Natl Lab, Neutron Sci Directorate, Oak Ridge, TN 37831 USA. [Fitzsimmons, M. R.] Los Alamos Natl Lab, Los Alamos Neutron Sci Ctr, Los Alamos, NM 87544 USA. RP Pynn, R (reprint author), Indiana Univ, Dept Phys, Bloomington, IN 47405 USA. EM rpynn@indiana.edu RI Lujan Center, LANL/G-4896-2012; Littrell, Kenneth/D-2106-2013; OI Littrell, Kenneth/0000-0003-2308-8618; Stonaha, Paul/0000-0002-6846-2442; Washington, Adam/0000-0002-3243-1556 FU US Department of Energy Office of Basic Energy Sciences [ER-46279]; Department of Energy's Office of Basic Energy Sciences; DOE [DE-AC5206NA25396] FX This work was supported by the US Department of Energy Office of Basic Energy Sciences under grant No. ER-46279. We have benefited from the use of the Lujan Neutron Scattering Center at LANSCE, which is also funded by the Department of Energy's Office of Basic Energy Sciences. Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE contract DE-AC5206NA25396. We are grateful to the staff of the Lujan Center for their dedicated help in bringing the experiments reported here to fruition. We thank Dr S. Brankovic for providing us with the Permalloy-coated silicon wafers used in some of our experiments. NR 12 TC 6 Z9 6 U1 0 U2 10 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD OCT PY 2008 VL 41 BP 897 EP 905 DI 10.1107/S0021889808020402 PN 5 PG 9 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 349DU UT WOS:000259259800007 ER PT J AU Allen, AJ Hackley, VA Jemian, PR Ilavsky, J Raitano, JM Chan, SW AF Allen, Andrew J. Hackley, Vincent A. Jemian, Pete R. Ilavsky, Jan Raitano, Joan M. Chan, Siu-Wai TI In situ ultra-small-angle X-ray scattering study of the solution-mediated formation and growth of nanocrystalline ceria SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID OXIDE NANOPARTICLES; NEUTRON-SCATTERING; PHASE-CHANGE; KINETICS; HEXAMETHYLENETETRAMINE; SIZE; HYDROLYSIS; COMPLEX; CEO2 AB Results are presented for an in situ synchrotron-based ultra-small-angle X-ray scattering (USAXS) study of the solution-mediated formation and growth of nanocrystalline ceria (n-CeO(2)) using a new remote-controlled, isothermal, circulating fluid flow cell. The fluid flow mitigates or reduces X- ray beam-induced damage, air bubbles or particulate flocculation within the bulk solution, but prevents any coarse particulates that do form from settling out from suspension. Combined with the large-scale range accessible in USAXS studies, the flow cell has enabled measurement, in situ and in real time, of structural characteristics from 10 angstrom to a few micrometres in size as a function of the changing physical and chemical conditions. By applying a multi-component model, the nanoparticle formation and growth component has been identified. Control and online monitoring of flow rate, temperature and pH suspension conditions have permitted real-time studies of the formation and growth of the individual n-CeO(2) particles from homogeneous dilute solution over several hours. Aspects of the nanoparticle nucleation and growth are revealed that have not been observed directly in measurements on this system. (c) 2008 International Union of Crystallography Printed in Singapore - all rights reserved. C1 [Allen, Andrew J.; Hackley, Vincent A.] Natl Inst Stand & Technol, Div Ceram, Gaithersburg, MD 20899 USA. [Jemian, Pete R.] Argonne Natl Lab, Adv Photon Source, Engn Support Div, Argonne, IL 60439 USA. [Ilavsky, Jan] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. [Raitano, Joan M.; Chan, Siu-Wai] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. RP Allen, AJ (reprint author), Natl Inst Stand & Technol, Div Ceram, Gaithersburg, MD 20899 USA. EM andrew.allen@nist.gov RI USAXS, APS/D-4198-2013; OI Hackley, Vincent/0000-0003-4166-2724; Ilavsky, Jan/0000-0003-1982-8900 FU US Department of Energy, Office of Science [W-31-109-ENG-38]; NIST Center for Neutron Research; National Science Foundation [DMR-0213574]; New York State Office of Science, Technology and Academic Research (NYSTAR); BES/HFI [DE-FG02-05ER15730] FX We thank C. Amigo of NIST Ceramics Division for critical support in the design and construction of the flow cell holder, A. Jilla, formerly of NIST Ceramics Division, for help with the initial flow cell concept, and J. Gordon of the Department of Applied Physics and Applied Mathematics, Columbia University, New York, for assistance in the data analysis. Use of the Advanced Photon Source is supported by the US Department of Energy, Office of Science, under contract No. W-31-109-ENG-38. Part of this work utilized instrumentation supported by the NIST Center for Neutron Research. S-WC and JMR are supported by the MRSEC Program of the National Science Foundation (DMR-0213574), the New York State Office of Science, Technology and Academic Research (NYSTAR), and the Department of Energy under BES/HFI grant No. DE-FG02-05ER15730. NR 49 TC 17 Z9 17 U1 1 U2 13 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD OCT PY 2008 VL 41 BP 918 EP 929 DI 10.1107/S0021889808023078 PN 5 PG 12 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 349DU UT WOS:000259259800010 ER PT J AU Stepanov, S Forrest, R AF Stepanov, Sergey Forrest, Rebecca TI Fitting dynamical X-ray diffraction data over the World Wide Web SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID BRAGG-DIFFRACTION; MULTILAYERS; SCATTERING; SUPERLATTICES; INTERFACES; SIMULATION; ALGORITHM; SOFTWARE; SERVER; WWW AB The first implementation of fitting X-ray Bragg diffraction profiles from strained multilayer crystals at a remote web-based X-ray software server is presented. The algorithms and the software solutions involved in the process are described. The suggested technology can be applied to a wide range of scientific research and has the potential to promote remote collaborations across scientific communities. (c) 2008 International Union of Crystallography Printed in Singapore - all rights reserved. C1 [Stepanov, Sergey] Argonne Natl Lab, Argonne, IL 60439 USA. [Forrest, Rebecca] Univ Houston, Houston, TX 77004 USA. RP Stepanov, S (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM sstepanov@anl.gov FU National Cancer Institute [Y1-CO-1020]; National Institute of General Medical Science [Y1-GM-1104]; M. Hildred Blewett Scholarship of the American Physical Society FX X-Ray Server uses computing resources of the GM/CA Collaborative Access Team at Argonne National Laboratory. GM/CA CAT has been financed with federal funds from the National Cancer Institute (Y1-CO-1020) and the National Institute of General Medical Science (Y1-GM-1104). The work at the University of Houston was supported in part by the M. Hildred Blewett Scholarship of the American Physical Society, http://www.aps.org. The authors are grateful to Chadwick Canedy and Jerry Meyer at the Naval Research Laboratory for supplying the sample. NR 24 TC 15 Z9 15 U1 0 U2 3 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD OCT PY 2008 VL 41 BP 958 EP 962 DI 10.1107/S0021889808022231 PN 5 PG 5 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 349DU UT WOS:000259259800017 ER PT J AU Valentine, NB Butcher, MG Su, YF Jarman, KH Matzke, M Webb-Robertson, BJ Panisko, EA Seiders, BAB Wahl, KL AF Valentine, N. B. Butcher, M. G. Su, Y. -F. Jarman, K. H. Matzke, M. Webb-Robertson, B. -J. Panisko, E. A. Seiders, B. A. B. Wahl, K. L. TI Evaluation of sampling tools for environmental sampling of bacterial endospores from porous and nonporous surfaces SO JOURNAL OF APPLIED MICROBIOLOGY LA English DT Article DE Bacillus; detection; environmental health; identification; spores (inc. endospores) ID MICROBIAL FORENSICS; BACILLUS-ANTHRACIS; COLLECTION; SPORES; CONTAMINATION; RECOVERY AB Aims: Having and executing a well-defined and validated sampling protocol is critical following a purposeful release of a biological agent for response and recovery activities, for clinical and epidemiological analysis and for forensic purposes. The objective of this study was to address the need for validated sampling and analysis methods called out by the General Accounting Office and others to systematically compare the collection efficiency of various swabs and wipes for collection of bacterial endospores from five different surfaces, both porous and nonporous. This study was also designed to test the collection and extraction solutions used for endospore recovery from swabs and wipes. Methods and Results: Eight collection tools, five swabs and three wipes, were used. Three collection/preservation solutions were evaluated: an ink jet aerosol generator was used to apply Bacillus subtilis endospores to five porous and nonporous surfaces. The collection efficiencies of the swabs and wipes were compared using a statistical multiple comparison analysis. Conclusions: The ScottPure (R) wipe had the highest collection efficiency and phosphate-buffered saline (PBST) with 0.3% Tween was the best collection solution of those tested. Significance and Impact of the Study: Validated sampling for potential biological warfare is of significant importance and this study answered some relevant questions. C1 [Valentine, N. B.; Butcher, M. G.; Su, Y. -F.; Jarman, K. H.; Matzke, M.; Webb-Robertson, B. -J.; Panisko, E. A.; Seiders, B. A. B.; Wahl, K. L.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Valentine, NB (reprint author), POB 999,Battelle Blvd, Richland, WA 99352 USA. EM nancy.valentine@pnl.gov NR 15 TC 13 Z9 13 U1 0 U2 11 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1364-5072 J9 J APPL MICROBIOL JI J. Appl. Microbiol. PD OCT PY 2008 VL 105 IS 4 BP 1107 EP 1113 DI 10.1111/j.1365-2672.2008.03840.x PG 7 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 349GY UT WOS:000259270500020 PM 18492049 ER PT J AU Abiade, JT Oh, SH Kumar, D Varela, M Pennycook, S Guo, HZ Gupta, A Sankar, J AF Abiade, Jeremiah T. Oh, Sang Ho Kumar, Dhananjay Varela, Maria Pennycook, Stephen Guo, Haizhong Gupta, Arunava Sankar, Jagannathan TI The effect of matrix and substrate on the coercivity and blocking temperature of self-assembled Ni nanoparticles SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID THIN-FILMS; GROWTH; PARTICLES; SAPPHIRE; SURFACES; EPITAXY; MEDIA AB We have shown that the magnetic properties of nanoparticles may be tuned from superparamagnetic to ferromagnetic by changing the substrate or thin film matrix in which they are embedded. Nickel nanoparticles were embedded into alumina, titanium nitride, and cerium oxide matrices on both silicon and sapphire substrates via pulsed laser deposition. The laser ablation time on the nickel target was kept constant. Only nickel nanoparticles in cerium oxide showed characteristics of ferromagnetism (room temperature coercivity and remanence). Ni nanoparticles, in either alumina or titanium nitride, possessed blocking temperatures below 200 K. Detailed scanning transmission electron microscopy analysis has been conducted on the samples embedded into cerium oxide on both substrates and related to the magnetic data. (c) 2008 American Institute of Physics. C1 [Abiade, Jeremiah T.] Virginia Polytech Inst & State Univ, LORE, Dept Mat Sci & Engn, Blacksburg, VA 24061 USA. [Abiade, Jeremiah T.] Virginia Polytech Inst & State Univ, Dept Mech Engn, Blacksburg, VA 24061 USA. [Oh, Sang Ho] Korea Basic Sci Inst, Div Electron Microscop Res, Taejon 305333, South Korea. [Kumar, Dhananjay; Sankar, Jagannathan] N Carolina Agr & Tech State Univ, Dept Mech & Chem Engn, Greensboro, NC 27411 USA. [Kumar, Dhananjay; Sankar, Jagannathan] N Carolina Agr & Tech State Univ, CAMSS, Greensboro, NC 27411 USA. [Kumar, Dhananjay; Varela, Maria; Pennycook, Stephen] Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. [Guo, Haizhong; Gupta, Arunava] Univ Alabama, Dept Chem, Tuscaloosa, AL 35487 USA. [Guo, Haizhong; Gupta, Arunava] Univ Alabama, Dept Chem Engn, Tuscaloosa, AL 35487 USA. [Guo, Haizhong; Gupta, Arunava] Univ Alabama, Ctr Mat Informat Technol MINT, Tuscaloosa, AL 35487 USA. RP Abiade, JT (reprint author), Virginia Polytech Inst & State Univ, LORE, Dept Mat Sci & Engn, Blacksburg, VA 24061 USA. EM jabiade@vt.edu RI Guo, Haizhong/C-9817-2011; Varela, Maria/H-2648-2012; Varela, Maria/E-2472-2014 OI Varela, Maria/0000-0002-6582-7004 FU National Science Foundation [NSF-NIRT 4-46109]; [NSF-DMR 0213985] FX This research was support by the following grants from the National Science Foundation NSF-NIRT 4-46109 (NCAT) and NSF-DMR 0213985 (MINT-UA). The research at ORNL was sponsored by the Division of Materials Science and Engineering of the US Department of Energy. NR 30 TC 8 Z9 8 U1 0 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 OCT 1 PY 2008 VL 104 IS 7 AR 073910 DI 10.1063/1.2992528 PG 6 WC Physics, Applied SC Physics GA 361KC UT WOS:000260125500099 ER PT J AU Cho, HS Shi, DL Guo, Y Lian, J Ren, ZF Poudel, B Song, Y Abot, JL Singh, D Routbort, J Wang, LM Ewing, RC AF Cho, Hoonsung Shi, Donglu Guo, Yan Lian, Jie Ren, Zhifeng Poudel, Bed Song, Yi Abot, Jandro L. Singh, Dileep Routbort, Jules Wang, Lumin Ewing, Rodney C. TI Enhanced thermal stability of carbon nanotubes by plasma surface modification in Al(2)O(3) composites SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ULTRATHIN POLYMER-FILMS; MECHANICAL-PROPERTIES; NANOCOMPOSITES; NANOPARTICLES; DEPOSITION; MICROSTRUCTURE; NANOFIBERS; DISPERSION AB A plasma polymerization method was employed to deposit an ultrathin pyrrole film of 3 nm onto the surfaces of single wall carbon nanotubes (SWCNTs) and Al(2)O(3) nanoparticles for developing high-strength nanocomposites. The surfaces of plasma coated SWCNTs and Al(2)O(3) nanoparticles were studied by high resolution transmission electron microscopy (TEM) and time-of-flight secondary ion mass spectroscopy. After sintering the SWCNTs-Al(2)O(3) composites at different temperatures (maximum of 1200 degrees C), the thermal stability of plasma-coated SWCNTs was significantly increased, compared to their uncoated counterparts. After hot-press sintering, the SWCNTs without plasma coating were essentially decomposed into amorphous clusters in the composites, leading to degraded mechanical properties. However, under the same sintering conditions, the plasma surface modified SWCNTs were well preserved and distributed in the composite matrices. The effects of plasma surface coating on the thermal stability of SWCNTs and mechanical behavior of the nanocomposites are discussed. (c) 2008 American Institute of Physics. C1 [Cho, Hoonsung; Shi, Donglu; Guo, Yan] Univ Cincinnati, Dept Chem & Mat Engn, Cincinnati, OH 45221 USA. [Shi, Donglu] Tongji Univ, Inst Adv Mat & Nano Biomed, Shanghai 200092, Peoples R China. [Shi, Donglu] Shanghai Jiao Tong Univ, Inst Micro Nano Sci & Technol, Shanghai 200240, Peoples R China. [Lian, Jie] Rensselaer Polytech Inst, Dept Mech Aerosp & Nucl Engn, Troy, NY 12180 USA. [Ren, Zhifeng; Poudel, Bed] Boston Coll, Dept Phys, Chestnut Hill, MA 02467 USA. [Song, Yi; Abot, Jandro L.] Univ Cincinnati, Dept Aerosp Engn & Engn Mech, Cincinnati, OH 45221 USA. [Singh, Dileep] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Routbort, Jules] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Wang, Lumin; Ewing, Rodney C.] Univ Michigan, Dept Geol Sci, Ann Arbor, MI 48109 USA. [Wang, Lumin; Ewing, Rodney C.] Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. [Wang, Lumin; Ewing, Rodney C.] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. RP Shi, DL (reprint author), Univ Cincinnati, Dept Chem & Mat Engn, 493 Rhodes Hall, Cincinnati, OH 45221 USA. EM shid@email.uc.edu RI Lian, Jie/A-7839-2010; Ren, Zhifeng/B-4275-2014; Song, Yi/H-3835-2013; Abot, Jandro/I-9933-2014 OI Abot, Jandro/0000-0002-7935-7322 FU U.S. Department of Energy [DE-FG02-97ER45656] FX The authors are grateful to Chemat Technologies for the support under a U. S. Air Force SBIR grant. The TEM analyses were conducted at the Electron Microbeam analysis Laboratory at the University of Michigan and support supported by the Office of Basic Energy Sciences of the U.S. Department of Energy through Grant No. DE-FG02-97ER45656. NR 19 TC 7 Z9 7 U1 3 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 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 1 PY 2008 VL 104 IS 7 AR 074302 DI 10.1063/1.2985915 PG 6 WC Physics, Applied SC Physics GA 361KC UT WOS:000260125500120 ER PT J AU Dorf, LA Intrator, TP Awe, T Renneke, R Hsu, SC Wurden, GA Siemon, R Semenov, VE AF Dorf, L. A. Intrator, T. P. Awe, T. Renneke, R. Hsu, S. C. Wurden, G. A. Siemon, R. Semenov, V. E. TI Magnetic design calculation and FRC formation modeling for the field reversed experiment liner SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID CONVERGING FLUX CONSERVER; THETA-PINCH PLASMA; TARGET FUSION; CONFIGURATION PLASMA; MUTUAL INDUCTANCE; CIRCULAR COILS; STABILITY; DENSITY; TRANSPORT; PROFILE AB Integrated magnetic modeling and design are important to meet the requirements for (1) formation, (2) translation, and (3) compression of a field reversed configuration (FRC) for magnetized target fusion. Off-the-shelf solutions do not exist for many generic design issues. A predictive capability for time-dependent magnetic diffusion in realistically complicated geometry is essential in designing the experiment. An eddy-current code was developed and used to compute the mutual inductances between driven magnetic coils and passive magnetic shields (flux excluder plates) to calculate the self-consistent axisymmetric magnetic fields during the first two stages. The plasma in the formation stage was modeled as an immobile solid cylinder with selectable constant resistivity and magnetic flux that was free to readjust itself. It was concluded that (1) use of experimentally obtained anomalously large plasma resistivity in magnetic diffusion simulations is sufficient to predict magnetic reconnection and FRC formation, (2) comparison of predicted and experimentally observed timescales for FRC Ohmic decay shows good agreement, and (3) for the typical range of resistivities, the magnetic null radius decay rate scales linearly with resistivity. The last result can be used to predict the rate of change in magnetic flux outside of the separatrix (equal to the back-emf loop voltage), and thus estimate a minimum theta-coil loop voltage required to form an FRC. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2990059] C1 [Dorf, L. A.; Intrator, T. P.; Renneke, R.; Hsu, S. C.; Wurden, G. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Awe, T.; Siemon, R.] Univ Nevada, Reno, NV 89557 USA. [Semenov, V. E.] Inst Appl Sci, Nizhnii Novgorod, Russia. RP Dorf, LA (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM leonid_dorf@amat.com RI Wurden, Glen/A-1921-2017; OI Wurden, Glen/0000-0003-2991-1484; Hsu, Scott/0000-0002-6737-4934 FU Office of Fusion Energy Sciences; DOE/LANL [DE-AC52-06NA25396] FX The authors are grateful to Dr. C. Grabowski, Dr. Y. Raitses, and Dr. J. Fernandez for fruitful discussions. This work was supported by the Office of Fusion Energy Sciences and DOE/LANL Contract No. DE-AC52-06NA25396. NR 39 TC 1 Z9 1 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 OCT 1 PY 2008 VL 104 IS 7 AR 073304 DI 10.1063/1.2990059 PG 7 WC Physics, Applied SC Physics GA 361KC UT WOS:000260125500021 ER PT J AU Fortini, A Mendelev, MI Buldyrev, S Srolovitz, D AF Fortini, Andrea Mendelev, Mikhail I. Buldyrev, Sergey Srolovitz, David TI Asperity contacts at the nanoscale: Comparison of Ru and Au SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID EMBEDDED-ATOM POTENTIALS; CLOSE-PACKED METALS; HCP METALS; 1/3(1123)(1011) DISLOCATIONS; INTERATOMIC POTENTIALS; MOLECULAR-DYNAMICS; FORCE MICROSCOPE; MEMS SWITCHES; ADHESION; SURFACES AB We develop and validate an interatomic potential for ruthenium based on the embedded atom method framework with the Finnis/Sinclair representation. We confirm that the potential yields a stable hcp lattice with reasonable lattice and elastic constants and surface and stacking fault energies. We employ molecular dynamics simulations to bring two surfaces together, one flat and the other with a single asperity. We compare the process of asperity contact formation and breaking in Au and Ru, two materials currently in use in microelectromechanical system switches. While Au is very ductile at 150 and 300 K, Ru shows considerably less plasticity at 300 and 600 K (approximately the same homologous temperature). In Au, the asperity necks down to a single atom thick bridge at separation. While similar necking occurs in Ru at 600 K, it is much more limited than in Au. On the other hand, at 300 K, Ru breaks by a much more brittle process of fracture/decohesion with limited plastic deformation. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2991301] C1 [Fortini, Andrea; Buldyrev, Sergey; Srolovitz, David] Yeshiva Univ, Dept Phys, New York, NY 10033 USA. [Mendelev, Mikhail I.] Ames Lab, Ames, IA 50011 USA. RP Fortini, A (reprint author), Yeshiva Univ, Dept Phys, 500 W 185th St, New York, NY 10033 USA. EM fortini@yu.edu RI Fortini, Andrea/A-9342-2011; Buldyrev, Sergey/I-3933-2015 OI Fortini, Andrea/0000-0002-4691-8576; FU UCSD/ NEU DARPA ST Center [HR0011-06-1-0051]; Department of Energy, Office of Basic Energy Sciences [DE-AC02-07CH11358] FX A. F. thanks Jun Song for discussions. This work is supported by the UCSD/ NEU DARPA S&T Center for rf MEMS Reliability and Design Fundamentals (Grant No. HR0011-06-1-0051) and Dr. Dennis Polla, program monitor. Work at the Ames Laboratory was supported by the Department of Energy, Office of Basic Energy Sciences under Contract No. DE-AC02-07CH11358. NR 49 TC 28 Z9 28 U1 3 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 OCT 1 PY 2008 VL 104 IS 7 AR 074320 DI 10.1063/1.2991301 PG 9 WC Physics, Applied SC Physics GA 361KC UT WOS:000260125500138 ER PT J AU Kanter, EP Santra, R Hohr, C Peterson, ER Rudati, J Arms, DA Dufresne, EM Dunford, RW Ederer, DL Krassig, B Landahl, EC Southworth, SH Young, L AF Kanter, E. P. Santra, R. Hoehr, C. Peterson, E. R. Rudati, J. Arms, D. A. Dufresne, E. M. Dunford, R. W. Ederer, D. L. Kraessig, B. Landahl, E. C. Southworth, S. H. Young, L. TI Characterization of the spatiotemporal evolution of laser-generated plasmas SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID OPTICALLY IONIZED HELIUM; X-RAY MICROPROBE; IONIZATION; DYNAMICS; SPECTRA; PULSES AB We characterize the time evolution of ion spatial distributions in a laser-produced plasma. Krypton ions are produced in strong, linearly and circularly polarized optical laser fields (10(14)-10(15) W/cm(2)). The Kr(+) ions are preferentially detected by resonant x-ray absorption. Using microfocused, tunable x rays from Argonne's Advanced Photon Source, we measure ion densities as a function of time with 10 mu m spatial resolution for times <= 50 ns. For plasma densities of the order of 10(14) cm(-3), we observe a systematic expansion of the ions outward from the laser focus. We find the expansion timescale to be independent of the plasma density though strongly dependent on the plasma shape and electron temperature. The former is defined by the laser focus, while the latter is controlled by the laser polarization state. We have developed a fluid description assuming a collisionless quasineutral plasma, which is modeled using a particle-in-cell approach. This simulation provides a quantitative description of the observed behavior and demonstrates the role of the very different electron temperatures produced by circularly and linearly polarized light. These results demonstrate the utility of this method as an in situ probe of the time and spatial evolution of laser-produced plasmas. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2991339] C1 [Kanter, E. P.; Santra, R.; Hoehr, C.; Peterson, E. R.; Rudati, J.; Arms, D. A.; Dufresne, E. M.; Dunford, R. W.; Ederer, D. L.; Kraessig, B.; Landahl, E. C.; Southworth, S. H.; Young, L.] Argonne Natl Lab, Argonne, IL 60439 USA. [Santra, R.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. RP Kanter, EP (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM kanter@anl.gov RI Landahl, Eric/A-1742-2010; Santra, Robin/E-8332-2014 OI Santra, Robin/0000-0002-1442-9815 FU Chemical Sciences, Geosciences, and Biosciences Division; Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy [DE-AC02-06CH11357] FX This work was supported by the Chemical Sciences, Geosciences, and Biosciences Division, (and also in the case of the Advanced Photon Source) the Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy under Contract No. DE-AC02-06CH11357. NR 31 TC 6 Z9 6 U1 0 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 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 1 PY 2008 VL 104 IS 7 AR 073307 DI 10.1063/1.2991339 PG 7 WC Physics, Applied SC Physics GA 361KC UT WOS:000260125500024 ER PT J AU Kaoumi, D Motta, AT Birtcher, RC AF Kaoumi, D. Motta, A. T. Birtcher, R. C. TI A thermal spike model of grain growth under irradiation SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ENERGETIC DISPLACEMENT CASCADES; SITU ION IRRADIATION; NI THIN-FILMS; MOLECULAR-DYNAMICS; DEFECT PRODUCTION; NANOSTRUCTURED MATERIALS; COMPUTER-SIMULATION; AG IONS; METALS; TEMPERATURE AB The experimental study of grain growth in nanocrystalline metallic foils under ion irradiation showed the existence of a low-temperature regime (below about 0.15-0.22T(m)), where grain growth is independent of the irradiation temperature, and a thermally assisted regime where grain growth is enhanced with increasing irradiation temperature. A model is proposed to describe grain growth under irradiation in the temperature-independent regime, based on the direct impact of the thermal spikes on grain boundaries. In the model, grain-boundary migration occurs by atomic jumps, within the thermal spikes, biased by the local grain-boundary curvature driving. The jumps in the spike are calculated based on Vineyard's analysis of thermal spikes and activated processes using a spherical geometry for the spike. The model incorporates cascade structure features such as subcascade formation, and the probability of subcascades occurring at grain boundaries. This results in a power law expression relating the average grain size with the ion dose with an exponent equal to 3, in agreement with the experimental observations. The model is applied to grain growth observed in situ in a transmission electron microscope in a wide range of doses, temperature, and irradiation conditions for four different pure metals, and shown to predict well the results in all applicable cases. Some discussions are also presented on the expansion of the model to the thermally assisted regime. The paper is organized in six sections. Section I gives background and literature review, while Secs. II s3 review experimental methods and results for in situ grain growth under irradiation. Section IV derives the model proposed to find the grain-growth equation in the nonthermal regime, and in Sec. V the model is applied to the results. In Sec. VI grain growth in the thermally assisted regime is discussed and Sec. VII presents the conclusions. (c) 2008 American Institute of Physics. [DOI:10.1063/1.2988142] C1 [Kaoumi, D.; Motta, A. T.] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. [Birtcher, R. C.] Argonne Natl Lab, Div Mat Sci, Naperville, IL 60540 USA. RP Kaoumi, D (reprint author), Penn State Univ, Dept Mech & Nucl Engn, 227 Reber Bldg, University Pk, PA 16802 USA. EM kaoumi@psu.edu NR 47 TC 64 Z9 67 U1 2 U2 34 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 OCT 1 PY 2008 VL 104 IS 7 AR 073525 DI 10.1063/1.2988142 PG 13 WC Physics, Applied SC Physics GA 361KC UT WOS:000260125500050 ER PT J AU Liu, W Li, BS Wang, LP Zhang, JZ Zhao, YS AF Liu, Wei Li, Baosheng Wang, Liping Zhang, Jianzhong Zhao, Yusheng TI Simultaneous ultrasonic and synchrotron x-ray studies on pressure induced alpha-omega phase transition in zirconium SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID CRYSTAL-STRUCTURES; STATE; ZR; TITANIUM; EQUATION; TI; HF AB Compressional and shear wave velocities as well as unit-cell volumes across the alpha-omega transition of Zr have been measured up to 10.5 GPa at room temperature using ultrasonic interferometry in conjunction with synchrotron x radiation. In the pressure range of 5.0 to 6.2 GPa, a mixture of alpha and omega phase is clearly identified and the alpha phase is completely transformed to omega phase at 6.8 GPa. The measured velocity jumps across the alpha-omega transition are 9.6% and 13.1% for P and S waves, respectively. Negative pressure dependence for the shear modulus of alpha-Zr has been found at pressures from 1.4 to 2.9 GPa, which may be ascribed to the shear instability of the alpha phase prior to transition. According to velocity data, the onset pressure of the alpha-omega transition is determined to be similar to 4.0 GPa. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2987001] C1 [Liu, Wei; Li, Baosheng; Wang, Liping] SUNY Stony Brook, Inst Mineral Phys, Stony Brook, NY 11794 USA. [Zhang, Jianzhong; Zhao, Yusheng] Los Alamos Natl Lab, LANSCE LC, Los Alamos, NM 87545 USA. RP Liu, W (reprint author), SUNY Stony Brook, Inst Mineral Phys, Stony Brook, NY 11794 USA. EM weiliu3@notes.cc.sunysb.edu RI Lujan Center, LANL/G-4896-2012; Li, Baosheng/C-1813-2013; OI Zhang, Jianzhong/0000-0001-5508-1782 FU DoE/NNSA [DEFG5206NA2621]; U. S. Department of Energy; Division of Materials Sciences; Division of Chemical Sciences [DE-AC02-76CH00016]; COMPRES [X-17B2] FX This research is supported by DoE/NNSA (Grant No. DEFG5206NA2621 to BL). These experiments were carried out at the National Synchrotron Light Source (NSLS), which is supported by the U. S. Department of Energy, Division of Materials Sciences, and Division of Chemical Sciences under Contract No. DE-AC02-76CH00016. X-17B2 is supported by COMPRES. Mineral Physics Institute Publication No. 472. NR 24 TC 20 Z9 20 U1 1 U2 11 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 OCT 1 PY 2008 VL 104 IS 7 AR 076102 DI 10.1063/1.2987001 PG 3 WC Physics, Applied SC Physics GA 361KC UT WOS:000260125500171 ER PT J AU Millett, JCF Whiteman, G Bourne, NK Gray, GT AF Millett, J. C. F. Whiteman, G. Bourne, N. K. Gray, G. T., III TI The role of anisotropy in the response of the titanium alloy Ti-6Al-4V to shock loading SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID DYNAMIC IMPACT RESPONSE; FOREIGN-OBJECT DAMAGE; STACKING-FAULT ENERGY; CU-AL ALLOYS; LATERAL STRESS; MANGANIN GAUGES; TUNGSTEN ALLOY; SHEAR-STRENGTH; BEHAVIOR; PLATES AB Manganin stress gauges in lateral orientation have been used to monitor the shock response of Ti-6Al-4V when loaded either parallel to or radial to the long axis of the original bar stock studied in this investigation. Materials characterization has shown that the c-axis of the hexagonal unit cell is preferentially orientated radially to the axis of the bar. Shear strengths measured along the long axis of the bar were found to be in agreement with previous data in the literature, while strength in the radial direction was found to be significantly lower. It was also noted that the lateral stress, when measured in the radial direction, displayed a pronounced drop in the lateral stress after reaching the peak shock stress unlike the longitudinal orientation. This decrease is indicative of an increase in shear strength behind the shock front. In both instances, it is postulated that extensive deformation twinning during the early stages of deformation in the shock and thereafter c+a slip and dislocation tangling builds up over a longer time period, resulting in the higher degree of hardening noted. C1 [Millett, J. C. F.; Whiteman, G.; Bourne, N. K.] AWE, Reading RG7 4PR, Berks, England. [Gray, G. T., III] Los Alamos Natl Lab, MST 8, Los Alamos, NM 87545 USA. RP Millett, JCF (reprint author), AWE, Reading RG7 4PR, Berks, England. EM jeremy.millett@awe.co.uk NR 43 TC 15 Z9 15 U1 3 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 OCT 1 PY 2008 VL 104 IS 7 AR 073531 DI 10.1063/1.2991164 PG 7 WC Physics, Applied SC Physics GA 361KC UT WOS:000260125500056 ER PT J AU Naito, M Ishimaru, M Valdez, JA Sickafus, KE AF Naito, Muneyuki Ishimaru, Manabu Valdez, James A. Sickafus, Kurt E. TI Electron irradiation-induced phase transformation in alpha-FeSi(2) SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID EPITAXIAL-GROWTH; LOW-TEMPERATURE; RADIATION-DAMAGE; CUBIC FESI2; SI; SI(111); BOMBARDMENT; MICROSCOPE; SILICIDES; FE AB Structural changes of alpha-FeSi(2) induced by electron beam irradiation have been investigated using transmission electron microscopy (TEM). Single crystals of Si(111) were implanted with 120 keV Fe ions at -150 degrees C to a fluence of 1.0x10(17) /cm(2), followed by thermally annealing at 350-550 degrees C. Cross-sectional and plan-view TEM observations revealed the formation of the metastable alpha-FeSi(2) in the annealed samples. Under high-energy electron beam irradiation, the alpha-phase changed to a metastable crystalline phase whose structure is close to the CsCl structure. The phase transformation was caused mainly by displacement damage processes and suggests a low displacement energy for Fe atoms (< 9 eV). To explain these observations, it was considered that vacancies in alpha-FeSi(2) are responsible for the electron irradiation-induced phase transformation. (c) 2008 American Institute of Physics. [DOI:10.1063/1.2986142] C1 [Naito, Muneyuki; Ishimaru, Manabu] Osaka Univ, Inst Sci & Ind Res, Osaka 5670047, Japan. [Valdez, James A.; Sickafus, Kurt E.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Naito, M (reprint author), Osaka Univ, Inst Sci & Ind Res, Osaka 5670047, Japan. FU Ministry of Education, Sports, Science, and Technology, Japan; U. S. Department of Energy (DOE); Office of Basic Energy Sciences (OBES); Division of Materials Sciences and Engineering FX This work was supported by the Special Education and Research Expenses "Post-Silicon Materials and Devices Research Alliance" from the Ministry of Education, Sports, Science, and Technology, Japan and by the U. S. Department of Energy (DOE), Office of Basic Energy Sciences (OBES), Division of Materials Sciences and Engineering. The XRD measurement was performed at Materials Analysis Center, ISIR, Osaka University. NR 27 TC 7 Z9 7 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 OCT 1 PY 2008 VL 104 IS 7 AR 073524 DI 10.1063/1.2986142 PG 6 WC Physics, Applied SC Physics GA 361KC UT WOS:000260125500049 ER PT J AU Noh, JH Jung, HS Lee, JK Kim, JY Cho, CM An, JS Hong, KS AF Noh, Jun Hong Jung, Hyun Suk Lee, Jung-Kun Kim, Jin Young Cho, Chin Moo An, Jae-sul Hong, Kug Sun TI Reversible change in electrical and optical properties in epitaxially grown Al-doped ZnO thin films SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ZINC-OXIDE FILMS; TRANSPARENT; PHOTOLUMINESCENCE; STABILITY; GREEN AB Aluminum-doped ZnO (AZO) films were epitaxially grown on sapphire (0001) substrates using pulsed laser deposition. As-deposited AZO films had a low resistivity of 8.01x10(-4) Omega cm. However, after annealing at 450 degrees C in air, the electrical resistivity of the AZO films increased to 1.97x10(-1) Omega cm because of a decrease in the carrier concentration. Subsequent annealing of the air-annealed AZO films in H-2 recovered the electrical conductivity of the AZO films. In addition, the conductivity change was reversible upon repeated air and H-2 annealing. A photoluminescence study showed that oxygen interstitial (O-i(')) is a critical material parameter allowing for the reversible control of the electrical conducting properties of AZO films. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2987472] C1 [Noh, Jun Hong; Cho, Chin Moo; An, Jae-sul; Hong, Kug Sun] Seoul Natl Univ, Dept Mat Sci & Engn, Seoul 151742, South Korea. [Jung, Hyun Suk] Kookmin Univ, Sch Adv Mat Engn, Seoul 136702, South Korea. [Lee, Jung-Kun] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15260 USA. [Kim, Jin Young] Natl Renewable Energy Lab, Chem & Biosci Ctr, Golden, CO 80401 USA. RP Hong, KS (reprint author), Seoul Natl Univ, Dept Mat Sci & Engn, Seoul 151742, South Korea. EM kshongss@plaza.snu.ac.kr RI Jung, Hyun Suk/D-4745-2011; Kim, Jin Young/B-7077-2012; Jung, Hyun Suk/H-3659-2015; OI Kim, Jin Young/0000-0001-7728-3182; Jung, Hyun Suk/0000-0002-7803-6930 FU Ministry of Commerce, Industry and Energy, Republic of Korea (RIAM) FX This research was supported by a grant from the Fundamental R&D Program for Core Technology of Materials funded by the Ministry of Commerce, Industry and Energy, Republic of Korea (RIAM). NR 22 TC 22 Z9 24 U1 1 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 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 1 PY 2008 VL 104 IS 7 AR 073706 DI 10.1063/1.2987472 PG 5 WC Physics, Applied SC Physics GA 361KC UT WOS:000260125500068 ER PT J AU Sasagawa, T Shen, ZX AF Sasagawa, Takao Shen, Zhi-xun TI A route to tunable direct band-gap diamond devices: Electronic structures of nanodiamond crystals SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SUPERCONDUCTIVITY; PSEUDOPOTENTIALS AB Electronic structures of nanodiamond crystals are elucidated by means of first principles calculations. It is found that the lowest unoccupied molecular orbital of diamond molecules forms the conduction band with a parabolic dispersion centered at the momentum origin. This results in a direct band gap in the nanodiamond crystal, which contrasts sharply with the indirect gap in bulk diamond. The corresponding light absorption/emission energy can be tuned within the ultraviolet wavelength range by choosing different nanodiamonds, which provides significant potential for their optoelectronic applications. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2986637] C1 [Sasagawa, Takao] Tokyo Inst Technol, Mat & Struct Lab, Kanagawa 2268503, Japan. [Sasagawa, Takao; Shen, Zhi-xun] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Sasagawa, Takao; Shen, Zhi-xun] Stanford Univ, Stanford Synchrotron Radiat Lab, Stanford, CA 94305 USA. RP Sasagawa, T (reprint author), Tokyo Inst Technol, Mat & Struct Lab, Kanagawa 2268503, Japan. EM sasagawa@msl.titech.ac.jp RI Sasagawa, Takao/E-6666-2014 OI Sasagawa, Takao/0000-0003-0149-6696 FU Ministry of Education, Culture, Sports, Science and Technology, Japan; DOE Office of Basic Energy Science; Division of Material Science [DE-FG03-01ER45929-A001] FX We would like to acknowledge stimulating discussions with W. A. Clay, M. Kelly, and R. M. K. Carlson. The work at Tokyo Institute of Technology is partially supported by the Ministry of Education, Culture, Sports, Science and Technology, Japan. The work at Stanford University is supported by the DOE Office of Basic Energy Science, Division of Material Science, under Contract No. DE-FG03-01ER45929-A001. NR 25 TC 22 Z9 22 U1 2 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 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 1 PY 2008 VL 104 IS 7 AR 073704 DI 10.1063/1.2986637 PG 4 WC Physics, Applied SC Physics GA 361KC UT WOS:000260125500066 ER PT J AU Swift, DC AF Swift, Damian C. TI Numerical solution of shock and ramp compression for general material properties SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ISENTROPIC COMPRESSION; IMPACT; MODEL AB A general formulation was developed to represent material models for applications in dynamic loading. Numerical methods were devised to calculate response to shock and ramp compression and ramp decompression, generalizing previous solutions for scalar equations of state. The numerical methods were found to be flexible and robust, and matched analytic results to a high accuracy. The basic ramp and shock solution methods were coupled to solve for composite deformation paths, such as shock-induced impacts and shock interactions with a planar interface between different materials. These calculations capture much of the physics of typical material dynamics experiments, without requiring spatially resolving simulations. Example calculations were made of loading histories in metals, illustrating the effects of plastic work on the temperatures induced in quasi-isentropic and shock-release experiments and the effect of a phase transition. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2975338] C1 Lawrence Livermore Natl Lab, Div Mat Sci & Technol, Livermore, CA 94550 USA. RP Swift, DC (reprint author), Lawrence Livermore Natl Lab, Div Mat Sci & Technol, 7000 East Ave, Livermore, CA 94550 USA. EM damian.swift@physics.org FU National Nuclear Security Agency's Inertial Confinement Fusion; LLNL's Laboratory-Directed Research and Development [06-SI-004]; U. S. Department of Energy [W-7405-ENG-36, DE-AC52-06NA25396, DE-AC52-07NA27344] FX Ian Gray introduced the author to the concept of multi-model material properties software. Lee Markland developed a prototype Hugoniot-calculating computer program for equations of state while working for the author as an undergraduate summer student.; Evolutionary work on material property libraries was supported by the UK Atomic Weapons Establishment, Fluid Gravity Engineering Ltd., and Wessex Scientific and Technical Services Ltd. Refinements to the technique and applications to the problems described were undertaken at Los Alamos National Laboratory (LANL) and Lawrence Livermore National Laboratory (LLNL).; The work was performed partially in support of, and funded by, the National Nuclear Security Agency's Inertial Confinement Fusion program at LANL (managed by Steven Batha), and LLNL's Laboratory-Directed Research and Development Project No. 06-SI-004 (Principal Investigator: Hector Lorenzana). The work was performed under the auspices of the U. S. Department of Energy under Contracts Nos. W-7405-ENG-36, DE-AC52-06NA25396, and DE-AC52-07NA27344. NR 30 TC 4 Z9 4 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 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 1 PY 2008 VL 104 IS 7 AR 073536 DI 10.1063/1.2975338 PG 11 WC Physics, Applied SC Physics GA 361KC UT WOS:000260125500061 ER PT J AU Tian, L Vasudevarao, A Morozovska, AN Eliseev, EA Kalinin, SV Gopalan, V AF Tian, Lili Vasudevarao, Aravind Morozovska, Anna N. Eliseev, Eugene A. Kalinin, Sergei V. Gopalan, Venkatraman TI Nanoscale polarization profile across a 180 degrees ferroelectric domain wall extracted by quantitative piezoelectric force microscopy SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID LITHIUM-NIOBATE; THIN-FILMS; SCALE; CRYSTALS; FIELDS; OXIDES; CHARGE AB The structure of a single antiparallel ferroelectric domain wall in LiNbO3 is quantitatively mapped by piezoelectric force microscopy (PFM) with calibrated probe geometry. The PFM measurements are performed for 49 probes with the radius varying from 10 to 300 nm. The magnitude and variation of the experimental piezoelectric coefficient across a domain wall match the profiles calculated from a comprehensive analytical theory, as well as three-dimensional finite element method simulations. Quantitative agreement between experimental and theoretical profile widths is obtained only when a finite disk-type tip radius that is in true contact with the sample surface is considered, which is in agreement with scanning electron microscopy images of the actual tips after imaging. The magnitude of the piezoelectric coefficient is shown to be independent of the tip radius, and the PFM profile width is linearly proportional to the tip radius. Finally we demonstrate a method to extract any intrinsic material broadening of the ferroelectric wall width. Surprisingly wide wall widths of up to 100 nm are observed in the limit of zero tip radius. (c) 2008 American Institute of Physics. [DOI: 10.1063/ 1.2979973] C1 [Tian, Lili; Vasudevarao, Aravind; Gopalan, Venkatraman] Penn State Univ, University Pk, PA 16802 USA. [Morozovska, Anna N.] Natl Acad Sci Ukraine, Inst Semicond Phys, UA-03028 Kiev, Ukraine. [Eliseev, Eugene A.] Natl Acad Sci Ukraine, Inst Problems Mat Sci, UA-03142 Kiev, Ukraine. [Kalinin, Sergei V.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Tian, L (reprint author), Penn State Univ, Univ Pk, University Pk, PA 16802 USA. EM vgopalan@psu.edu RI Kalinin, Sergei/I-9096-2012 OI Kalinin, Sergei/0000-0001-5354-6152 NR 50 TC 32 Z9 32 U1 1 U2 28 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 OCT 1 PY 2008 VL 104 IS 7 AR 074110 DI 10.1063/1.2979973 PG 10 WC Physics, Applied SC Physics GA 361KC UT WOS:000260125500110 ER PT J AU Xiao, HY Zu, XT Gao, F Weber, WJ AF Xiao, H. Y. Zu, X. T. Gao, Fei Weber, W. J. TI First-principles study of energetic and electronic properties of A(2)Ti(2)O(7) (A=Sm, Gd, Er) pyrochlore SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID NUCLEAR-WASTE DISPOSAL; ION-BEAM IMPLANTATION; CROSS-SECTIONAL TEM; OXIDE PYROCHLORES; PHASE-TRANSFORMATION; RADIATION-DAMAGE; PLUTONIUM; GD2TI2O7; IMMOBILIZATION; GADOLINIUM AB First-principles calculations have been carried out to study the electronic properties of A(2)Ti(2)O(7) (A=Sm, Gd, Er) pyrochlores. It was found that f electrons have negligible effect on the structural and energetic properties, but have significant effect on the electronic properties. Density of state analysis shows that A-site 4f electrons do take part in the chemical bonding. Also, we found that < Gd-O(48f)> bond is less covalent than < Sm-O(48f)> and < Er-O(48f)> bonds, while < Ti-O(48f)> bond in Gd(2)Ti(2)O(7) is more covalent. It was proposed that for A(2)Ti(2)O(7) (A=Sm, Gd, Er) pyrochlores, < Ti-O(48f)> bonds may play more significant role in determining their radiation resistance to amorphization. (c) 2008 American Institute of Physics. [DOI:10.1063/1.2986156] C1 [Xiao, H. Y.; Zu, X. T.] Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China. [Gao, Fei; Weber, W. J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Xiao, HY (reprint author), Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China. EM hyxiao@uestc.edu.cn RI Weber, William/A-4177-2008; Xiao, Haiyan/A-1450-2012; Gao, Fei/H-3045-2012 OI Weber, William/0000-0002-9017-7365; FU National Science Foundation of China [10647111]; Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U. S. Department of Energy [DE-AC05-76RL01830] FX This work was supported by the National Science Foundation of China (Contract No. 10647111). F. Gao and W. J. Weber were supported by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U. S. Department of Energy under Contract No. DE-AC05-76RL01830. NR 51 TC 15 Z9 15 U1 4 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 OCT 1 PY 2008 VL 104 IS 7 AR 073503 DI 10.1063/1.2986156 PG 6 WC Physics, Applied SC Physics GA 361KC UT WOS:000260125500028 ER PT J AU Zayak, AT Beckman, SP Tiago, ML Entel, P Chelikowsky, JR AF Zayak, A. T. Beckman, S. P. Tiago, Murilo L. Entel, P. Chelikowsky, James R. TI Switchable Ni-Mn-Ga Heusler nanocrystals SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID FIELD-INDUCED STRAIN; SHAPE-MEMORY ALLOYS; NIMNGA THIN-FILMS; MELT-SPUN RIBBONS; NI2MNGA ALLOY; PHASE-TRANSFORMATION; ELECTRONIC-STRUCTURE; NI2+XMN1-XGA; PSEUDOPOTENTIALS; TRANSITIONS AB We examined bulklike Heusler nanocrystals using real-space pseudopotentials constructed within density functional theory. The nanocrystals were made of various compositions of Ni-Mn-Ga in the size range from 15 up to 169 atoms. Among these compositions, the closest to the stoichiometric Ni2MnGa were found to be the most stable. The Ni-based nanocrystals retained a tendency for tetragonal distortion, which is inherited from the bulk properties. Surface effects suppress the tetragonal structure in the smaller Ni-based nanocrystals, while bigger nanocrystals develop a bulklike tetragonal distortion. We suggest the possibility of switchable Ni-Mn-Ga nanocrystals, which could be utilized for magnetic nanoshape-memory applications. (c) 2008 American Institute of Physics. [DOI: 10.1063/1.2988189] C1 [Zayak, A. T.; Chelikowsky, James R.] Univ Texas Austin, Ctr Computat Mat, Inst Computat Engn & Sci, Austin, TX 78712 USA. [Beckman, S. P.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Tiago, Murilo L.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Entel, P.] Univ Duisburg Essen, Inst Phys, D-47048 Duisburg, Germany. [Chelikowsky, James R.] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Chelikowsky, James R.] Univ Texas Austin, Dept Chem Engn, Austin, TX 78712 USA. RP Zayak, AT (reprint author), Univ Texas Austin, Ctr Computat Mat, Inst Computat Engn & Sci, Austin, TX 78712 USA. EM alexey@ices.utexas.edu FU National Science Foundation [DMR-0551195]; U.S. Department of Energy [DE-FG02-06ER46286, DE-FG02-06ER15760]; U.S. Department of Energy; Texas Advanced Computing Center (TACC); Division of Materials Sciences and Engineering; DFG [SPP-1239] FX This work was supported by the National Science Foundation under Contract No. DMR-0551195, by the U.S. Department of Energy under Grant Nos. DE-FG02-06ER46286 and DE-FG02-06ER15760, by the Computational Material Science Network of the U.S. Department of Energy, and by the Texas Advanced Computing Center (TACC). Research at the Oak Ridge National Laboratory was sponsored by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy, under contract with UT-Battelle, LLC. P.E. would like to thank the DFG for financial support within the SPP-1239. A.T.Z. thanks Elena Liskova for useful discussions. NR 52 TC 8 Z9 8 U1 1 U2 13 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 OCT 1 PY 2008 VL 104 IS 7 AR 074307 DI 10.1063/1.2988189 PG 6 WC Physics, Applied SC Physics GA 361KC UT WOS:000260125500125 ER PT J AU Jacob, RE Minard, KR Laicher, G Timchalk, C AF Jacob, R. E. Minard, K. R. Laicher, G. Timchalk, C. TI 3D He-3 diffusion MRI as a local in vivo morphometric tool to evaluate emphysematous rat lungs SO JOURNAL OF APPLIED PHYSIOLOGY LA English DT Article DE hyperpolarized gas; elastase; lung histology; diffusion anisotropy ID HYPERPOLARIZED HE-3; MAGNETIC-RESONANCE; MOUSE LUNG; MODEL; GAS; VENTILATION; MECHANICS; SEVERITY; DELIVERY; SMOKERS AB In this work, we investigate He-3 magnetic resonance imaging as a noninvasive morphometric tool to assess emphysematous disease state on a local level. Emphysema was induced intratracheally in rats with 25 U/100 g body wt of porcine pancreatic elastase dissolved in 200 mu l saline. Rats were then paired with saline-dosed controls. Nine three-dimensional (3D) He-3 diffusion-weighted images were acquired at 1, 2, or 3 wk postdose, after which the lungs were harvested and prepared for histological analysis. Recently introduced indexes sensitive to the heterogeneity of the air space size distribution were calculated. These indexes, D-1 and D-2, were derived from the moments of the mean equivalent airway diameters. Averaged over the entire lung, it is shown that the average 3He diffusivity (D-ave) correlates well with histology (R = 0.85, P < 0.0001). By matching small (0.046 cm(2)) regions in 3He images with corresponding regions in histological slices, Dave correlates significantly with both D-1 and D-2 (R = 0.88 and R = 0.90, respectively, with P < 0.0001). It is concluded that 3He MRI is a viable noninvasive morphometric tool for localized in vivo emphysema assessment. C1 [Jacob, R. E.; Minard, K. R.; Timchalk, C.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Laicher, G.] Univ Utah, Salt Lake City, UT USA. RP Jacob, RE (reprint author), 902 Battelle Blvd,POB 999 MSIN P7-58, Richland, WA 99352 USA. EM richard.jacob@pnl.gov FU Battelle; National Heart, Lung, and Blood Institute [RO1-HL-073598] FX This work was funded by Battelle and by National Heart, Lung, and Blood Institute Grant RO1-HL-073598. NR 42 TC 17 Z9 17 U1 0 U2 1 PU AMER PHYSIOLOGICAL SOC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814 USA SN 8750-7587 J9 J APPL PHYSIOL JI J. Appl. Physiol. PD OCT PY 2008 VL 105 IS 4 BP 1291 EP 1300 DI 10.1152/japplphysiol.90375.2008 PG 10 WC Physiology; Sport Sciences SC Physiology; Sport Sciences GA 357PA UT WOS:000259857400032 PM 18719237 ER PT J AU Livingston, JM Schmid, B Russell, PB Redemann, J Podolske, JR Diskin, GS AF Livingston, J. M. Schmid, B. Russell, P. B. Redemann, J. Podolske, J. R. Diskin, G. S. TI Comparison of Water Vapor Measurements by Airborne Sun Photometer and Diode Laser Hygrometer on the NASA DC-8 SO JOURNAL OF ATMOSPHERIC AND OCEANIC TECHNOLOGY LA English DT Article ID SOLAR TRANSMITTANCE MEASUREMENTS; LOWER TROPOSPHERIC AEROSOL; GROUND-BASED MEASUREMENTS; OPTICAL-DEPTH SPECTRA; COLUMN CLOSURE; SOLVE-II; ACE-ASIA; IN-SITU; AIRCRAFT; OZONE AB In January-February 2003, the 14-channel NASA Ames airborne tracking sun photometer (AATS) and the NASA Langley/Ames diode laser hygrometer (DLH) were flown on the NASA DC-8 aircraft. The AATS measured column water vapor on the aircraft-to-sun path, while the DLH measured local water vapor in the free stream between the aircraft fuselage and an outboard engine cowling. The AATS and DLH measurements have been compared for two DC-8 vertical profiles by differentiating the AATS column measurement and/or integrating the DLH local measurement over the altitude range of each profile (7.7-10 km and 1.1-12.5 km). These comparisons extend, for the first time, tests of AATS water vapor retrievals to altitudes > similar to 6 km and column contents < 0.1 g cm(-2). To the authors' knowledge, this is the first time suborbital spectroscopic water vapor measurements using the 940-nm band have been tested in conditions so high and dry. Values of layer water vapor (LWV) calculated from the AATS and DLH measurements are highly correlated for each profile. The composite dataset yields r(2) 0.998, rms difference 7.7%, and bias (AATS minus DLH) 1.0%. For water vapor densities AATS and DLH had r(2) 0.968, rms difference 27.6%, and bias (AATS minus DLH) -4.2%. These results for water vapor density compare favorably with previous comparisons of AATS water vapor to in situ results for altitudes < similar to 6 km, columns similar to 0.1 to 5 g cm(-2), and densities similar to 0.1 to 17 g m(-3). C1 [Livingston, J. M.] SRI Int, Menlo Pk, CA 94025 USA. [Schmid, B.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Russell, P. B.; Podolske, J. R.] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. [Redemann, J.] Bay Area Environm Res Inst, Sonoma, CA USA. [Diskin, G. S.] NASA, Langley Res Ctr, Hampton, VA 23665 USA. RP Livingston, JM (reprint author), SRI Int, 333 Ravenswood Ave, Menlo Pk, CA 94025 USA. EM john.livingston@sri.com FU NASA's Upper Atmosphere Research Program; NASA's Solar Occultation Satellite Science Team FX We thank James Eilers and Richard Kolyer for supporting AATS measurements and Stephanie Ramirez for help with illustrations and formatting. The SOLVE II measurements were supported by NASA's Upper Atmosphere Research Program. AATS analyses were supported by NASA's Solar Occultation Satellite Science Team. NR 34 TC 2 Z9 2 U1 0 U2 4 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0739-0572 J9 J ATMOS OCEAN TECH JI J. Atmos. Ocean. Technol. PD OCT PY 2008 VL 25 IS 10 BP 1733 EP 1743 DI 10.1175/2008JTECHA1047.1 PG 11 WC Engineering, Ocean; Meteorology & Atmospheric Sciences SC Engineering; Meteorology & Atmospheric Sciences GA 363ZY UT WOS:000260307200001 ER PT J AU Ghosh, S Setlow, B Wahome, PG Cowan, AE Plomp, M Malkin, AJ Setlow, P AF Ghosh, Sonali Setlow, Barbara Wahome, Paul G. Cowan, Ann E. Plomp, Marco Malkin, Alexander J. Setlow, Peter TI Characterization of spores of Bacillus subtilis that lack most coat layers SO JOURNAL OF BACTERIOLOGY LA English DT Article ID BACTERIAL-SPORES; STRUCTURAL DYNAMICS; HYDROGEN-PEROXIDE; WATER-CONTENT; GERMINATION; RESISTANCE; PROTEINS; MECHANISMS; HEAT; GENE AB Spores of Bacillus subtilis have a thick outer layer of relatively insoluble protein called the coat, which protects spores against a number of treatments and may also play roles in spore germination. However, elucidation of precise roles of the coat in spore properties has been hampered by the inability to prepare spores lacking all or most coat material. In this work, we show that spores of a strain with mutations in both the cotE and gerE genes, which encode proteins involved in coat assembly and expression of genes encoding coat proteins, respectively, lack most extractable coat protein as seen by sodium dodecyl sulfate-polyacrylamide gel electrophoresis, as well as the great majority of the coat as seen by atomic force microscopy. However, the cotE gerE spores did retain a thin layer of insoluble coat material that was most easily seen by microscopy following digestion of these spores with lysozyme. These severely coat-deficient spores germinated relatively normally with nutrients and even better with dodecylamine but not with a 1: 1 chelate of Ca2+ and dipicolinic acid. These spores were also quite resistant to wet heat, to mechanical disruption, and to treatment with detergents at an elevated temperature and pH but were exquisitely sensitive to killing by sodium hypochlorite. These results provide new insight into the role of the coat layer in spore properties. C1 [Ghosh, Sonali; Setlow, Barbara; Wahome, Paul G.; Cowan, Ann E.; Setlow, Peter] Univ Connecticut, Ctr Hlth, Dept Mol Microbial & Struct Biol, Farmington, CT 06030 USA. [Cowan, Ann E.] Univ Connecticut, Ctr Hlth, Ctr Cell Anal & Modeling, Farmington, CT 06030 USA. [Plomp, Marco; Malkin, Alexander J.] Lawrence Livermore Natl Lab, Chem Mat Earth & Life Sci Directorate, Livermore, CA 94551 USA. RP Setlow, P (reprint author), Univ Connecticut, Ctr Hlth, Dept Mol Microbial & Struct Biol, Farmington, CT 06030 USA. EM setlow@nso2.uchc.edu FU National Institutes of Health [GM-19698]; Army Research Office; NIH [RR022232]; Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was supported by grants from the National Institutes of Health (GM-19698) and the Army Research Office to P.S. The Center for Cell Analysis and Modeling at the University of Connecticut Health Center is supported by NIH RR022232. Part of this work was performed under the auspices of the U. S. Department of Energy by Lawrence Livermore National Laboratory under contract number DE-AC52-07NA27344.; We are grateful to Art Hand for assistance with EM, to Keren Griffiths for advice and reagents for the analysis of spore core water content, to Michael Mallozzi and Adam Driks for helpful advice, and to one reviewer for helpful suggestions. NR 44 TC 39 Z9 40 U1 0 U2 14 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 EI 1098-5530 J9 J BACTERIOL JI J. Bacteriol. PD OCT PY 2008 VL 190 IS 20 BP 6741 EP 6748 DI 10.1128/JB.00896-08 PG 8 WC Microbiology SC Microbiology GA 354IF UT WOS:000259631900022 PM 18723620 ER PT J AU Fricke, WF Wright, MS Lindell, AH Harkins, DM Baker-Austin, C Ravel, J Stepanauskas, R AF Fricke, W. Florian Wright, Meredith S. Lindell, Angela H. Harkins, Derek M. Baker-Austin, Craig Ravel, Jacques Stepanauskas, Ramunas TI Insights into the environmental resistance gene pool from the genome sequence of the multidrug-resistant environmental isolate Escherichia coli SMS-3-5 SO JOURNAL OF BACTERIOLOGY LA English DT Article ID URINARY-TRACT-INFECTION; ANTIBIOTIC-RESISTANCE; NUCLEOTIDE-SEQUENCE; DNA-SEQUENCE; EFFLUX PUMP; FLUOROQUINOLONE RESISTANCE; ENTEROBACTER-AEROGENES; CAMPYLOBACTER-JEJUNI; CONFERS RESISTANCE; IMMUNITY PROTEIN AB The increasing occurrence of multidrug-resistant pathogens of clinical and agricultural importance is a global public health concern. While antimicrobial use in human and veterinary medicine is known to contribute to the dissemination of antimicrobial resistance, the impact of microbial communities and mobile resistance genes from the environment in this process is not well understood. Isolated from an industrially polluted aquatic environment, Escherichia coli SMS-3-5 is resistant to a record number of antimicrobial compounds from all major classes, including two front-line fluoroquinolones (ciprofloxacin and moxifloxacin), and in many cases at record-high concentrations. To gain insights into antimicrobial resistance in environmental bacterial populations, the genome of E. coli SMS-3-5 was sequenced and compared to the genome sequences of other E. coli strains. In addition, selected genetic loci from E. coli SMS-3-5 predicted to be involved in antimicrobial resistance were phenotypically characterized. Using recombinant vector clones from shotgun sequencing libraries, resistance to tetracycline, streptomycin, and sulfonamide/ trimethoprim was assigned to a single mosaic region on a 130-kb plasmid (pSMS35_130). The remaining plasmid backbone showed similarity to virulence plasmids from avian-pathogenic E. coli (APEC) strains. Individual resistance gene cassettes from pSMS35_130 are conserved among resistant bacterial isolates from multiple phylogenetic and geographic sources. Resistance to quinolones was assigned to several chromosomal loci, mostly encoding transport systems that are also present in susceptible E. coli isolates. Antimicrobial resistance in E. coli SMS-3-5 is therefore dependent both on determinants acquired from a mobile gene pool that is likely available to clinical and agricultural pathogens, as well, and on specifically adapted multidrug efflux systems. The association of antimicrobial resistance with APEC virulence genes on pSMS35_130 highlights the risk of promoting the spread of virulence through the extensive use of antibiotics. C1 [Fricke, W. Florian; Ravel, Jacques] Univ Maryland, Sch Med, Inst Genome Sci, Baltimore, MD 21201 USA. [Wright, Meredith S.; Lindell, Angela H.; Baker-Austin, Craig] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Harkins, Derek M.] J Craig Venter Inst, Rockville, MD 20850 USA. [Stepanauskas, Ramunas] Bigelow Lab Ocean Sci, W Boothbay Harbor, ME 04575 USA. RP Ravel, J (reprint author), Univ Maryland, Sch Med, Inst Genome Sci, Baltimore, MD 21201 USA. EM jravel@som.umaryland.edu RI Ravel, Jacques/D-2530-2009; OI Ravel, Jacques/0000-0002-0851-2233; Stepanauskas, Ramunas/0000-0003-4458-3108 FU National Institute of Allergy and Infectious Diseases (NIAID); National Institutes of Health, Department of Health and Human Services [N01-AI-30071] FX This work was supported with Federal funds from the National Institute of Allergy and Infectious Diseases (NIAID), National Institutes of Health, Department of Health and Human Services, under NIAID contract N01-AI-30071. NR 99 TC 55 Z9 854 U1 2 U2 47 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD OCT PY 2008 VL 190 IS 20 BP 6779 EP 6794 DI 10.1128/JB.00661-08 PG 16 WC Microbiology SC Microbiology GA 354IF UT WOS:000259631900026 PM 18708504 ER PT J AU Messer, RLW Mickalonis, J Lewis, JB Omata, Y Davis, CM Brown, Y Wataha, JC AF Messer, Regina L. W. Mickalonis, John Lewis, Jill B. Omata, Yo Davis, Cortney M. Brown, Yolanda Wataha, John C. TI Interactions between stainless steel, shear stress, and monocytes SO JOURNAL OF BIOMEDICAL MATERIALS RESEARCH PART A LA English DT Article DE corrosion; shear; stainless steel; cardiovascular; in-stent restenosis; stent; THP; THP1; monocyte ID ENDOTHELIAL-CELLS; CORROSION BEHAVIOR; ELUTING STENTS; ION RELEASE; EXPRESSION; RESTENOSIS; SALINE; SERUM; FLOW; ACTIVATION C1 [Messer, Regina L. W.; Lewis, Jill B.; Davis, Cortney M.; Brown, Yolanda; Wataha, John C.] Med Coll Georgia, Dept Oral Biol & Maxillofacial Pathol, Augusta, GA 30912 USA. [Mickalonis, John] Washington Savannah River Co, Savannah River Natl Lab, Aiken, SC USA. [Omata, Yo] Hokkaido Univ, Dept Oral Hlth Sci, Sapporo, Hokkaido, Japan. RP Messer, RLW (reprint author), Med Coll Georgia, Dept Oral Biol & Maxillofacial Pathol, Augusta, GA 30912 USA. EM rmesser@mail.mcg.edu FU Whitaker Foundation [RG-01-0471]; The Medical College of Georgia Research Center; Savannah River National Laboratories FX Contract grant sponsor: Whitaker Foundation; contract grant number: RG-01-0471; Contract grant sponsors: The Medical College of Georgia Research Center, Savannah River National Laboratories NR 46 TC 8 Z9 8 U1 1 U2 5 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 1549-3296 J9 J BIOMED MATER RES A JI J. Biomed. Mater. Res. Part A PD OCT PY 2008 VL 87A IS 1 BP 229 EP 235 DI 10.1002/jbm.a.31730 PG 7 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 347GV UT WOS:000259129500027 PM 18092353 ER PT J AU An, G Ha, SH Lee, SM Koo, YM AF An, Gwangmin Ha, Sung Ho Lee, Sang-Mok Koo, Yoon-Mo TI Biodiesel production using enzyme coated magnetic microbeads in ionic liquids SO JOURNAL OF BIOTECHNOLOGY LA English DT Meeting Abstract C1 [An, Gwangmin; Koo, Yoon-Mo] Inha Univ, Dept Biol Engn, Inchon 402751, South Korea. [Ha, Sung Ho; Koo, Yoon-Mo] Inha Univ, ERC Adv Bioseparat Technol, Inchon 402751, South Korea. [Lee, Sang-Mok] Pacific NW Natl Lab, Richland, WA 99352 USA. NR 3 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-1656 EI 1873-4863 J9 J BIOTECHNOL JI J. Biotechnol. PD OCT PY 2008 VL 136 SU S MA V5-P-072 BP S488 EP S488 DI 10.1016/j.jbiotec.2008.07.1138 PG 1 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA V32VT UT WOS:000208979402105 ER PT J AU Yuan, JS Stewart, NR Kline, L Dai, SY Hettich, RL Hayes, DG Stewart, CN AF Yuan, Joshua S. Stewart, Nathan R. Kline, Lindsey Dai, Susie Y. Hettich, Robert L. Hayes, Douglas G. Stewart, C. Neal, Jr. TI Genomic, transcriptomic, proteomic and functional analysis of candidate genes for bioenergy feedstock improvement SO JOURNAL OF BIOTECHNOLOGY LA English DT Meeting Abstract C1 [Kline, Lindsey; Hayes, Douglas G.] Univ Tennessee, Dept Biosyst Engn & Soil Sci, Knoxville, TN 37996 USA. [Dai, Susie Y.; Hettich, Robert L.] Oak Ridge Natl Lab, Organ & Biol Mass Spectrometry Grp, Oak Ridge, TN USA. RI Dai, Sheng/K-8411-2015; Hettich, Robert/N-1458-2016 OI Dai, Sheng/0000-0002-8046-3931; Hettich, Robert/0000-0001-7708-786X NR 0 TC 0 Z9 0 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-1656 EI 1873-4863 J9 J BIOTECHNOL JI J. Biotechnol. PD OCT PY 2008 VL 136 SU S MA IV7-P-012 BP S274 EP S274 DI 10.1016/j.jbiotec.2008.07.585 PG 1 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA V32VT UT WOS:000208979401133 ER PT J AU Gustavsen, A Arasteh, D Jelle, BP Curcija, C Kohler, C AF Gustavsen, Arild Arasteh, Dariush Jelle, Bjorn Petter Curcija, Charlie Kohler, Christian TI Developing Low-conductance Window Frames: Capabilities and Limitations of Current Window Heat Transfer Design Tools - State-of-the-Art Review SO JOURNAL OF BUILDING PHYSICS LA English DT Article DE fenestration; window frames; heat transfer modeling; U-value; thermal transmittance; frame cavity; international standards ID MULTICELLULAR NATURAL-CONVECTION; ASPECT-RATIO; CAVITIES AB While window frames typically represent 20-30% of the overall window area, their impact on the total window heat transfer rates may be much larger. This effect is even greater in low-conductance (highly insulating) windows that incorporate very low-conductance glazing. Developing low-conductance window frames requires accurate simulation tools for product research and development. Based on a literature review and an evaluation of current methods of modeling heat transfer through window frames, we conclude that current procedures specified in ISO standards are not sufficiently adequate for accurately evaluating heat transfer through the low-conductance frames. We conclude that the near-term priorities for improving the modeling of heat transfer through low-conductance frames are: 1. Add 2D view-factor radiation to standard modeling and examine the current practice of averaging surface emissivity based on area weighting and the process of making an equivalent rectangular frame cavity. 2. Asses 3D radiation effects in frame cavities and develop recommendation for inclusion into the design fenestration tools. 3. Assess existing correlations for convection in vertical cavities using CFD. 4. Study 2D and 3D natural convection heat transfer in frame cavities for cavities that are proven to be deficient from item 3 above. Recommend improved correlations or full CFD modeling into ISO standards and design fenestration tools, if appropriate. 5. Study 3D hardware short-circuits and propose methods to ensure that these effects are incorporated into ratings. 6. Study the heat transfer effects of ventilated frame cavities and propose updated correlations. C1 [Gustavsen, Arild] Norwegian Univ Sci & Technol NTNU, Dept Architectural Design Hist & Technol, Trondheim, Norway. [Arasteh, Dariush; Kohler, Christian] Lawrence Berkeley Natl Lab, Windows & Daylighting Grp, Berkeley, CA 94720 USA. [Jelle, Bjorn Petter] Norwegian Univ Sci & Technol NTNU, Dept Civil & Transport Engn, Trondheim, Norway. [Jelle, Bjorn Petter] SINTEF Bldg & Infrastruct, Dept Bldg Mat & Struct, NO-7465 Trondheim, Norway. [Curcija, Charlie] Carli Inc, Amherst, MA 01002 USA. RP Gustavsen, A (reprint author), Norwegian Univ Sci & Technol NTNU, Dept Architectural Design Hist & Technol, Trondheim, Norway. EM Arild.Gustavsen@ntnu.no FU U.S. Department of Energy [DE-AC02-05CH11231]; Research Council of Norway FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technology, Building Technologies Program of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, and by the Research Council of Norway within the research project MOT - 'Modern Wood Window Frames with Surface Treatment' (In Norwegian: Moderne trevindu med overflatebehandling). The authors wish to thank Nan Wishner for her help in editing this article. NR 44 TC 11 Z9 12 U1 2 U2 5 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1744-2591 EI 1744-2583 J9 J BUILD PHYS JI J. Build Phys. PD OCT PY 2008 VL 32 IS 2 BP 131 EP 153 DI 10.1177/1744259108097672 PG 23 WC Construction & Building Technology SC Construction & Building Technology GA 362XV UT WOS:000260231400002 ER PT J AU Xie, H Howe, JY Schwartz, V Monnier, JR Williams, CT Ploehn, HJ AF Xie, Hong Howe, Jane Y. Schwartz, Viviane Monnier, John R. Williams, Christopher T. Ploehn, Harry J. TI Hydrodechlorination of 1,2-dichloroethane catalyzed by dendrimer-derived Pt-Cu/SiO2 catalysts SO JOURNAL OF CATALYSIS LA English DT Article DE Platinum; Copper; Bimetallic; Dichloroethane; Dendrimer ID SOL-GEL CATALYSTS; COGELLED XEROGEL CATALYSTS; SELECTIVE HYDRODECHLORINATION; CARBON-MONOXIDE; INFRARED-SPECTROSCOPY; SURFACE-COMPOSITION; OXYGEN REDUCTION; METAL DISPERSION; SINGLE-CRYSTAL; CO AB Dendrimer-metal-nanocomposites (DMNs) were used as precursors to prepare SiO2-supported monometallic fit, Cu, and bimetallic Pt-Cu catalysts with Pt/Cu atomic ratios of 1: 1 (Pt50Cu50) and 1:3 (Pt25Cu75)After impregnation of these DMNs onto the Support, the catalysts were thermally treated and activated following an optimized protocol. Scanning transmission electron microscopy (STEM) showed that the metal nanoparticles in the dendrimer-derived SiO2-supported catalysts were smaller and had a narrower size distribution compared with those in conventional catalysts prepared using Corresponding metal salts via the wet-impregnation method. Slow deactivation was observed for hydrodechlorination of 1,2-dichloroethane over monometaillic Cu catalysts, which showed an activity about one to two orders of magnitude lower than that of the Pt-containing catalysts. Hydrodechlorination of 1,2-dichloroethane over the Pt and Pt50Cu50 catalysts produced mainly ethane, and the selectivity toward ethane increased with temperature. For the Pt25Cu75 catalyst, the selectivity toward ethane decreased in favor of that of ethylene. The overall activity decreased with increasing Cu loading in the catalysts. Activity based on surface Pt sites suggests the formation of bifunctional surfaces in Pt25Cu75 catalyst favoring C-Cl bond scission on Cu sites and hydrogenation of intermediate center dot CH2CH2 center dot on Fit sites. In addition, kinetic analyses suggest different reaction mechanisms for hydrodechlorination of 1,2-dichloroethane over Pt and Cu-enriched surfaces in the Pt-Cu bimetallic catalysts. (c) 2008 Elsevier Inc. All rights reserved. C1 [Xie, Hong; Monnier, John R.; Williams, Christopher T.; Ploehn, Harry J.] Univ S Carolina, Dept Chem Engn, Columbia, SC 29208 USA. [Howe, Jane Y.] Oak Ridge Natl Lab, HTML, Oak Ridge, TN 37831 USA. [Schwartz, Viviane] Oak Ridge Natl Lab, CNMS, Oak Ridge, TN 37831 USA. RP Williams, CT (reprint author), Univ S Carolina, Dept Chem Engn, Columbia, SC 29208 USA. EM willia84@engr.sc.edu RI Howe, Jane/G-2890-2011 FU National Science Foundation [CTS-0103135]; U.S. Dept. of Energy [DE-AC05-00OR22725] FX This work was supported by a grant from the National Science Foundation (CTS-0103135). The STEM work was 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 at Oak Ridge National Laboratory, managed by UT-Battelle for the U.S. Dept. of Energy under contract DE-AC05-00OR22725. The XRD work was performed 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. NR 61 TC 27 Z9 27 U1 4 U2 33 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 J9 J CATAL JI J. Catal. PD OCT 1 PY 2008 VL 259 IS 1 BP 111 EP 122 DI 10.1016/j.jcat.2008.07.018 PG 12 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 363LD UT WOS:000260267900013 ER PT J AU Damjanovic, A Miller, BT Wenaus, TJ Maksimovic, P Garcia-Moreno, B Brooks, BR AF Damjanovic, Ana Miller, Benjamin T. Wenaus, Torre J. Maksimovic, Petar Garcia-Moreno E, Bertrand Brooks, Bernard R. TI Open Science Grid Study of the Coupling between Conformation and Water Content in the Interior of a Protein SO JOURNAL OF CHEMICAL INFORMATION AND MODELING LA English DT Article ID MOLECULAR-DYNAMICS; STAPHYLOCOCCAL NUCLEASE; ALL-ATOM; SIMULATION; PENETRATION; HYDRATION; CAVITIES; POLARITY; AMBER AB Computational grids are a promising resource for modeling complex biochemical processes such as protein folding, penetration of gases or water into proteins, or protein structural rearrangements coupled to ligand binding. We have enabled the molecular dynamics program CHARMM to run on the Open Science Grid. The implementation is general, flexible, easily modifiable for use with other molecular dynamics programs and other grids and automated in terms of job submission, monitoring, and resubmission. The usefulness of grid computing was demonstrated through the study of hydration of the Glu-66 side chain in the interior of protein staphylococcal nuclease. Multiple simulations started with and without two internal water molecules shown crystallographically to be associated with the side chain of Glu-66 yielded two distinct populations of rotameric states of Glu-66 that differed by as much as 20%. This illustrates how internal water molecules can bias protein conformations. Furthermore, there appeared to be a temporal correlation between dehydration of the side chain and conformational transitions of Glu-66. This example demonstrated how difficult it is to get convergence even in the relatively simple case of a side chain oscillating between two conformations. With grid computing, we also benchmarked the self-guided Langevin dynamics method against the Langevin dynamics method traditionally used for temperature control in molecular dynamics simulations and showed that the two methods yield comparable results. C1 [Damjanovic, Ana; Garcia-Moreno E, Bertrand] Johns Hopkins Univ, Dept Biophys, Baltimore, MD 21218 USA. [Damjanovic, Ana; Miller, Benjamin T.; Brooks, Bernard R.] NHLBI, Lab Computat Biol, NIH, Bethesda, MD 20892 USA. [Wenaus, Torre J.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Maksimovic, Petar] Johns Hopkins Univ, Dept Phys, Baltimore, MD USA. RP Damjanovic, A (reprint author), Johns Hopkins Univ, Dept Biophys, Baltimore, MD 21218 USA. EM ad@jhu.edu OI Miller, Benjamin/0000-0003-1647-0122 FU National Science Foundation; U.S. Department of Energy's Office of Science; NIH [R01 GM061597]; Intramural Research program at NIH, NHLBI,; A.P. Sloan foundation [BR-4379]; NSF [PHY-0457374] FX This research was done using resources provided by the Open Science Grid, which is supported by the National Science Foundation and the U.S. Department of Energy's Office of Science. We thank all of the institutions that have provided computers for this project. We would like to thank Ruth Pordes, Frank Wurthwein, and Alain Roy for their assistance with the Open Science Grid, and Rich Pastor for useful discussions. This work was also supported by NIH grant (R01 GM061597) to B.G.-M.E., the Intramural Research program at NIH, NHLBI, and the A.P. Sloan foundation (BR-4379) and NSF grant (PHY-0457374) to P.M. NR 43 TC 14 Z9 14 U1 2 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9596 J9 J CHEM INF MODEL JI J. Chem Inf. Model. PD OCT PY 2008 VL 48 IS 10 BP 2021 EP 2029 DI 10.1021/ci800263c PG 9 WC Chemistry, Medicinal; Chemistry, Multidisciplinary; Computer Science, Information Systems; Computer Science, Interdisciplinary Applications SC Pharmacology & Pharmacy; Chemistry; Computer Science GA 365ST UT WOS:000260428800011 PM 18834189 ER PT J AU Tangaromsuk, J Borole, AP Kruatrachue, M Pokethitiyook, P AF Tangaromsuk, Jantana Borole, Abhijeet P. Kruatrachue, Maleeya Pokethitiyook, Prayad TI An integrated biodesulfurization process, including inoculum preparation, desulfurization and sulfate removal in a single step, for removing sulfur from oils SO JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY LA English DT Article DE biodesulfurization process; IGTS8; single stage; sulfate removal; DBT ID RHODOCOCCUS-ERYTHROPOLIS KA2-5-1; CELL-DENSITY CULTURE; SP STRAIN IGTS8; DIBENZOTHIOPHENE DESULFURIZATION; MICROBIAL DESULFURIZATION; DERIVATIVES; BACTERIUM; PETROLEUM; ETHANOL; PATHWAY AB BACKGROUND: A single-stage reactor, in which the growth of bacterial culture, induction of desulfurizing enzymes, and desulfurization reaction are carried out in a single step, was adopted to investigate desulfurization of dibenzothiophene (DBT) at high cell densities. Rhodococcus erythropolis, IGTS8 was used as the biocatalyst. Optimal conditions for bacterial growth and DBT desulfurization were investigated. RESULTS: Optimization of fermentation conditions was necessary to obtain high cell densities including controlling accumulation of acetate. Under optimal operating conditions, the maximum optical density at 600 nm (OD600) was measured to be 26.6 at 118 h of cultivation. When biodesulfurization of DBT in model oil with a high cell density culture of IGTS8 was investigated, accumulation of sulfate was found to limit the extent of desulfurization. A sulfate removal step was added to obtain a single-stage integrated biodesulfurization process. Sulfate removal was achieved via an aqueous bleed stream and use of a separation unit to recycle the organic phase. CONCLUSION: A proof of principle of a complete system capable of biocatalyst growth, induction, desulfurization and by-product separation was demonstrated. This system enables simplification of the biodesulfurization process and has potential to lower the operating cost of the bioprocess. (c) 2008 Society of Chemical Industry. C1 [Borole, Abhijeet P.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Tangaromsuk, Jantana; Kruatrachue, Maleeya; Pokethitiyook, Prayad] Mahidol Univ, Fac Sci, Dept Biol, Bangkok 10400, Thailand. RP Borole, AP (reprint author), Oak Ridge Natl Lab, Biosci Div, POB 2008, Oak Ridge, TN 37831 USA. EM borolea@ornl.gov RI Borole, AP/F-3933-2011; Unciano, Noel/B-6810-2009; OI Pokethitiyook, Prayad/0000-0002-9017-2900; Borole, Abhijeet/0000-0001-8423-811X FU Thailand Research Fund, Thailand FX This work was supported financially by the Royal Golden Jubilee PhD Programme, the Thailand Research Fund, Thailand. NR 23 TC 8 Z9 8 U1 2 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0268-2575 EI 1097-4660 J9 J CHEM TECHNOL BIOT JI J. Chem. Technol. Biotechnol. PD OCT PY 2008 VL 83 IS 10 BP 1375 EP 1380 DI 10.1002/jctb.1949 PG 6 WC Biotechnology & Applied Microbiology; Chemistry, Multidisciplinary; Engineering, Environmental; Engineering, Chemical SC Biotechnology & Applied Microbiology; Chemistry; Engineering GA 354FH UT WOS:000259623800008 ER PT J AU Tewari, YB Lang, BE Decker, SR Goldberg, RN AF Tewari, Yadu B. Lang, Brian E. Decker, Stephen R. Goldberg, Robert N. TI Thermodynamics of the hydrolysis reactions of 1,4-beta-D-xylobiose, 1,4-beta-D-xylotriose, D-cellobiose, and D-maltose SO JOURNAL OF CHEMICAL THERMODYNAMICS LA English DT Article DE Equilibrium constants; Calorimetry; D-Cellobiose; Entropy; D-Glucose; Heat capacity; D-Maltose; Standard Gibbs free energy and enthalpy; 1,4-beta-D-Xylobiose; 1.4-beta-D-Xylotriose; D-Xylose ID APPARENT MOLAR VOLUMES; HEAT-CAPACITIES; MONO-SACCHARIDES; TRI-SACCHARIDES; WATER; GLUCOSE; DISACCHARIDES; TEMPERATURES; ENTHALPIES; OLIGOSACCHARIDES AB Microcalorimetry and high-performance liquid chromatography have been used to conduct a thermodynamic investigation of the following reactions: 1, 4-beta-D-Xylobiose(aq) + H(2)O(I) = 2D-xylose(aq), 1,4-beta-D-Xylotriose + 2H(2)O(I) = 3D-xylose(aq), D-maltose(aq) + H(2)O(I) = 2 alpha-D-glucose(aq), D-cellobiose(aq) + H(2)O(I) = 2 alpha-D-glucose(aq). The results of the equilibrium measurements were K = (1.46 +/- 0.15). 10(3) for reaction (1) and K = (551 +/- 34) for reaction (3). Although it was not possible to measure directly a value for the equilibrium constant for reaction (4), it was possible to obtain the value K = 657 for this reaction via a thermochernical pathway calculation. The results of the calorimetric measurements were standard enthalpies of reaction Delta(r)H degrees = (0.12 +/- 0.26) kJ (.) mol(-1) for reaction (1) and Delta(r)H degrees = -(0.06 +/- 0.18) kJ (.) mol(-1) for reaction (2). It is noted that values Of Delta(r)H degrees for reactions (1) and (2) are equal to each other within their respective experimental errors. This fact is consistent with earlier observations that, for reactions involving the making/breaking of N saccharide linkages, the assignment of characteristic values of Delta(r)H degrees/N or Delta(r)G degrees/N or Delta(r)S degrees/N for a specified linkage, is accurate in predicting the values Of Delta(r)H degrees. Delta(r)G degrees, and Delta(r)S degrees for reactions involving saccharides that contain multiples or combinations of such linkages. Also, the values of the standard entropy changes Delta(r)S degrees for the hydrolysis reactions (3) and (4) fall into the range of values ((32 to 48)J (.) K(-1) (.) mol(-1))) previously noted for the hydrolysis of six-carbon disaccharides. In order to tie the results of this study into the thermochernical literature, a reaction catalog of related property values was created. Selected property values from this reaction catalog were then used to calculate "best" values of the standard Gibbs free energy of formation Delta(f)G degrees, the standard enthalpy of formation Delta(f)H degrees, the standard molar entropy S degrees(m), and the standard molar heat capacity C degrees(p,m), for the substances of interest to this investigation. (c) 2008 Elsevier Ltd. All rights reserved. C1 [Tewari, Yadu B.; Lang, Brian E.; Goldberg, Robert N.] Natl Inst Stand & Technol, Div Biochem Sci, Gaithersburg, MD 20876 USA. [Decker, Stephen R.] Chem & Biosci Ctr, Natl Renewable Energy Lab, Golden, CO 80401 USA. [Goldberg, Robert N.] Univ Maryland, Dept Chem & Biochem, Baltimore, MD 21250 USA. RP Goldberg, RN (reprint author), Natl Inst Stand & Technol, Div Biochem Sci, Gaithersburg, MD 20876 USA. EM yadu.tewari@nist.gov; brian.lang@nist.gov; steve_decker@nrel.gov; robert.goldberg@nist.gov NR 52 TC 17 Z9 17 U1 0 U2 13 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0021-9614 J9 J CHEM THERMODYN JI J. Chem. Thermodyn. PD OCT PY 2008 VL 40 IS 10 BP 1517 EP 1526 DI 10.1016/j.jct.2008.05.015 PG 10 WC Thermodynamics; Chemistry, Physical SC Thermodynamics; Chemistry GA 393CI UT WOS:000262348100006 ER PT J AU Jensen, MP Vogelmann, AM Collins, WD Zhang, GJ Luke, EP AF Jensen, Michael P. Vogelmann, Andrew M. Collins, William D. Zhang, Guang J. Luke, Edward P. TI Investigation of regional and seasonal variations in marine boundary layer cloud properties from MODIS observations SO JOURNAL OF CLIMATE LA English DT Article ID DROPLET EFFECTIVE RADIUS; STRATOCUMULUS CLOUDS; GENERAL-CIRCULATION; STRATIFORM CLOUDS; OPTICAL DEPTH; PART II; AEROSOL; DRIZZLE; MESOSCALE; VARIABILITY AB To aid in understanding the role that marine boundary layer (MBL) clouds play in climate and assist in improving their representations in general circulation models (GCMs), their long-term microphysical and macroscale characteristics are quantified using observations from the Moderate Resolution Imaging Spectroracdiometer (MODIS) instrument aboard the National Aeronautics and Space Administration's (NASA's) Terra satellite. Six years of MODIS pixel-level Cloud products are used from oceanic study regions off the west coasts of California, Peru, the Canary Islands, Angola, and Australia where these cloud types are common. Characterizations are given for their organization (macroscale structure), the associated microphysical properties, and the seasonal dependencies of their variations for scales consistent with the size of a GCM grid box (300 km X 300 km). MBL mesoscale structure is quantified using effective cloud diameter C-D, which is introduced here as a simplified measure of bulk cloud organization; it is straightforward to compute and provides descriptive information beyond that offered by cloud fraction. The interrelationships of these characteristics are explored while considering the influences of the MBL state, such as the occurrence of drizzle. Several commonalities emerge for the five study regions. MBL clouds contain the best natural examples of plane-parallel clouds, but overcast clouds occur in only about 25% of the scenes, which emphasizes the importance of representing broken MBL cloud fields in climate models (that are subgrid scale). During the peak months of cloud occurrence, mesoscale organization (larger C-D) increases such that the fractions of scenes characterized as "overcast" and "clumped" increase at the expense of the "scattered" scenes. Cloud liquid water path and visible optical depth usually trend strongly with C-D, with the largest values occurring for scenes that are drizzling. However, considerable interregional differences exist in these trends, suggesting that different regression functionalities exist for each region. For peak versus off-peak months, the fraction of drizzling scenes (as a function of C-D) are similar for California and Angola, which suggests that a single probability distribution function might be used for their drizzle occurrence in climate models. The patterns are strikingly opposite for Peru and Australia; thus, the contrasts among regions may offer a test bed for model simulations of MBL drizzle occurrence. C1 [Jensen, Michael P.] Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. [Collins, William D.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Zhang, Guang J.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. RP Jensen, MP (reprint author), Brookhaven Natl Lab, Div Atmospher Sci, Bldg 490D, Upton, NY 11973 USA. EM mjensen@bnl.gov RI Collins, William/J-3147-2014; Vogelmann, Andrew/M-8779-2014 OI Collins, William/0000-0002-4463-9848; Vogelmann, Andrew/0000-0003-1918-5423 FU GWEC [NASA NAG511716]; Department of Energy Atmospheric Radiation Measurement; Office of Science, at the U.S. Department of Energy [AC02-05CH11231] FX This work is supported by GWEC Grant NASA NAG511716 and the Department of Energy Atmospheric Radiation Measurement Program. The data used in this study were acquired as part of the NASA's Earth Science Enterprise. Dr. Collins' contributions were supported by the Director, Office of Science, at the U.S. Department of Energy under Contract DE-AC02-05CH11231. The retrieval algorithms were developed by the MODIS Science Teams. The raw data were processed by the MODIS Adaptive Processing System (MODAPS) and Goddard Distributed Active Archive Center (DAAC), and are archived and distributed by the Goddard DAAC. We would also like to thank two anonymous reviewers whose comments and suggestions have been very helpful. NR 53 TC 24 Z9 24 U1 2 U2 10 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 EI 1520-0442 J9 J CLIMATE JI J. Clim. PD OCT PY 2008 VL 21 IS 19 BP 4955 EP 4973 DI 10.1175/2008JCLI1974.1 PG 19 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 353WO UT WOS:000259599900004 ER PT J AU Samolyuk, GD Miller, GJ AF Samolyuk, German D. Miller, Gordon J. TI Relation between chemical bonding and exchange coupling approaches to the description of ordering in itinerant magnets SO JOURNAL OF COMPUTATIONAL CHEMISTRY LA English DT Article DE magnetic ordering; electronic structure; intermetallics ID SPIN-FLUCTUATION THEORY; TIGHT-BINDING THEORY; TRANSITION-METALS; HEUSLER ALLOYS; CRYSTAL-STRUCTURE; RHODIUM BORIDES; ELECTRONIC-STRUCTURE; PHYSICAL-PROPERTIES; FINITE-TEMPERATURE; HEISENBERG MODELS AB Two different approaches to explain and predict the types of magnetic ordering in the 3d metal series and their compounds are reviewed. According to the crossing theorem of Heine and Samson, the effective exchange coupling changes sign from negative (antiferromagnetic ordering) in the middle of 3d band to positive (ferromagnetic ordering) for the nearly empty or nearly filled d band cases. On the other hand, the analytical properties of the Crystal Orbital Hamilton Population, which is a measure of chemical bonding, predict only one crossing at the center of the band in the region of nonbonding states. Thus intermetallic compounds with Fermi energies falling within metal-metal nonbonding states are ordered antiferromagnetically whereas they order ferromagnetically when the Fermi levels fall within antibonding states. The general character of these dependencies is demonstrated for various examples containing the magnetically active 3d metals, examples that include the bcc metals, Heusler alloys, and a series of novel quaternary intermetallic borides. (C) 2008 Wiley Periodicals, Inc. C1 [Samolyuk, German D.] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. [Samolyuk, German D.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Miller, Gordon J.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Miller, GJ (reprint author), Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. EM gmiller@iastate.edu NR 51 TC 9 Z9 9 U1 2 U2 10 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0192-8651 J9 J COMPUT CHEM JI J. Comput. Chem. PD OCT PY 2008 VL 29 IS 13 BP 2177 EP 2186 DI 10.1002/jcc.21045 PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 342DK UT WOS:000258764600014 PM 18566981 ER PT J AU Roy, LE Durakiewicz, T Martin, RL Peralta, JE Scuseria, GE Olson, CG Joyce, JJ Guziewicz, E AF Roy, Lindsay E. Durakiewicz, Tomasz Martin, Richard L. Peralta, Juan E. Scuseria, Gustavo E. Olson, Cliff G. Joyce, John J. Guziewicz, Ela TI Dispersion in the Mott insulator UO2: A comparison of photoemission spectroscopy and screened hybrid density functional theory SO JOURNAL OF COMPUTATIONAL CHEMISTRY LA English DT Article DE density functional theory; hybrid DFT; UO2; PES spectroscopy ID NEUTRON-DIFFRACTION; ELECTRONIC-STRUCTURE; 5F ELECTRONS; LOCALIZATION; PLUTONIUM; URANIUM; ENERGY; ANTIFERROMAGNETISM; PARAMETERS; OXIDATION AB We present a comparison between the screened hybrid density functional theory of Heyd, Scuseria, and Enzerhof (HSE06) and high-resolution photoemission (PES) measurement oil a single crystal of UO2. Angle-resolved photoemission data show a slight dispersion in the f-orbital derived bands in good agreement with the HSE band Structure. The effect of spin-orbit coupling on the HSE band Pap has also been calculated and found to be negligible. (C) 2008 Wiley Periodicals, Inc. C1 [Roy, Lindsay E.; Durakiewicz, Tomasz; Martin, Richard L.; Joyce, John J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Peralta, Juan E.; Scuseria, Gustavo E.] Rice Univ, Dept Chem, Houston, TX 77005 USA. [Peralta, Juan E.] Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48859 USA. [Olson, Cliff G.] Iowa State Univ, Div Mat Sci, Ames Lab, Ames, IA 50011 USA. [Guziewicz, Ela] Polish Acad Sci, Inst Phys, Warsaw, Poland. RP Martin, RL (reprint author), Los Alamos Natl Lab, Div Theoret, POB 1663, Los Alamos, NM 87545 USA. EM rlmartin@lanl.gov RI Peralta, Juan/C-2631-2008; Peralta, Juan/C-3978-2008; Scuseria, Gustavo/F-6508-2011; Guziewicz, Elzbieta/S-4910-2016; OI Peralta, Juan/0000-0003-2849-8472; Peralta, Juan/0000-0003-2849-8472; Guziewicz, Elzbieta/0000-0001-6158-5258; Durakiewicz, Tomasz/0000-0002-1980-1874 FU NSF [DMR-0084402]; US Department of Energy; Office of Science [DE-FG02-04ER15523]; National Nuclear Security Administration, Department of Energy [DE-AC52-06NA25396] FX Contract/grant sponsor: NSF; contract/grant numbers: DMR-0084402; Contract/grant sponsor: US Department of Energy, Office of Science contract/grant numbers: DE-FG02-04ER15523; Contract/grant sponsor: National Nuclear Security Administration, Department of Energy: contract/grant numbers: DE-AC52-06NA25396 NR 52 TC 36 Z9 36 U1 1 U2 22 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0192-8651 J9 J COMPUT CHEM JI J. Comput. Chem. PD OCT PY 2008 VL 29 IS 13 BP 2288 EP 2294 DI 10.1002/jcc.21036 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 342DK UT WOS:000258764600024 PM 18615406 ER PT J AU Gubernatis, JE Booth, TE AF Gubernatis, J. E. Booth, T. E. TI Multiple extremal eigenpairs by the power method SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE numerical methods; large matrices; multiple extremal eigenvalues; power method ID EIGENFUNCTIONS; ITERATION AB We report the production and benchmarking of several refinements of the power method that enable the computation of multiple extremal eigenpairs of very large matrices. In these refinements we used an observation by Booth that has made possible the calculation of up to the 10th eigenpair for simple test problems simulating the transport of neutrons in the steady state of a nuclear reactor. Here, we summarize our techniques and efforts to-date on determining mainly just the two largest or two smallest eigenpairs. To illustrate the effectiveness of the techniques, we determined the two extremal eigenpairs of a cyclic matrix, the transfer matrix of the two-dimensional Ising model, and the Hamiltonian matrix of the one-dimensional Hubbard model. (C) 2008 Published by Elsevier Inc. 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@lani.gov NR 19 TC 15 Z9 15 U1 0 U2 5 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD OCT 1 PY 2008 VL 227 IS 19 BP 8508 EP 8522 DI 10.1016/j.jcp.2008.06.001 PG 15 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 356BM UT WOS:000259753700002 ER PT J AU Bell, GI Bruhwiler, DL Fedotov, A Sobol, A Busby, RS Stoltz, P Abell, DT Messmer, P Ben-Zvi, I Litvinenko, V AF Bell, George I. Bruhwiler, David L. Fedotov, Alexei Sobol, Andrey Busby, Richard S. Stoltz, Peter Abell, Dan T. Messmer, Peter Ben-Zvi, Ilan Litvinenko, Vladimir TI Simulating the dynamical friction force on ions due to a briefly co-propagating electron beam SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE electron cooling; molecular dynamics; dynamical friction force ID STORAGE-RINGS; HEAVY-IONS; PHYSICS AB We present two algorithms for accurate beam-frame simulations of the dynamical friction force on a non-relativistic ion moving for a short time in a low-density electron distribution, in the presence of arbitrary external fields. A special-purpose 4th-order predictor-corrector ("Hermite") algorithm, taken from the astrophysical dynamics community, has been generalized to work with charged particles in the presence of a constant magnetic field. An alternative algorithm uses operator splitting techniques to solve binary Coulomb collisions (BCC) in the presence of arbitrary external fields. We discuss the close mathematical relationship between the Hermite and BCC algorithms, and their order of convergence. We discuss the parallel efficiency of the BCC algorithm and use it in the parallel simulation framework VORPAL to study problems in a parameter regime relevant to the electron cooling section for the proposed luminosity upgrade of the Relativistic Heavy Ion Collider. In particular, we simulate the field-free case to show how finite time effects strongly modify the traditional Coulomb logarithm, resulting in a significant reduction of the dynamical friction force as calculated by standard theoretical formulas. We show that diffusive dynamics can be correctly simulated, but that it must be artificially suppressed in order to accurately obtain the friction force. We discuss the proposed use of a helical undulator magnet to focus the electron beam and inhibit electron-ion recombination, showing that this device reduces the friction force. (C) 2008 Elsevier Inc. All rights reserved. C1 [Bell, George I.; Bruhwiler, David L.; Sobol, Andrey; Busby, Richard S.; Stoltz, Peter; Abell, Dan T.; Messmer, Peter] Tech X Corp, Accelerator Technol, Boulder, CO 80303 USA. [Fedotov, Alexei; Ben-Zvi, Ilan; Litvinenko, Vladimir] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Bell, GI (reprint author), Tech X Corp, Accelerator Technol, 5621 Arapahoe Ave,Suite A, Boulder, CO 80303 USA. EM gibell@txcorp.com OI Bruhwiler, David/0000-0002-2318-8494 NR 30 TC 2 Z9 2 U1 0 U2 1 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD OCT 1 PY 2008 VL 227 IS 19 BP 8714 EP 8735 DI 10.1016/j.jcp.2008.06.019 PG 22 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 356BM UT WOS:000259753700015 ER PT J AU de Putter, R Linder, EV AF de Putter, Roland Linder, Eric V. TI Calibrating dark energy SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE dark energy theory; classical tests of cosmology ID SCALAR-FIELD; QUINTESSENCE; COSMOLOGY; UNIVERSE AB Exploring the diversity of dark energy dynamics, we discover a calibration relation, a uniform stretching of the amplitude of the equation of state time variation with scale factor. This defines homogeneous families of dark energy physics. The calibration factor has a close relation to the standard time variation parameter w(a), and we show that the new, calibrated w(a) describes observables, i. e. distance and Hubble parameter as a function of redshift, typically to an accuracy level of 10(-3). We discuss implications for figures of merit for dark energy science programs. C1 [de Putter, Roland] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP de Putter, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM rdeputter@berkeley.edu; EVLinder@lbl.gov FU US Department of Energy [DE-AC02-05CH11231.] FX We thank Andy Albrecht and Michael Barnard for helpful discussions. This work was supported in part by the Director, Office of Science, Office of High Energy Physics, of the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 26 TC 22 Z9 22 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1475-7516 J9 J COSMOL ASTROPART P JI J. Cosmol. Astropart. Phys. PD OCT PY 2008 IS 10 AR 042 DI 10.1088/1475-7516/2008/10/042 PG 17 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 367CJ UT WOS:000260529800042 ER PT J AU Silling, SA Lehoucq, RB AF Silling, S. A. Lehoucq, R. B. TI Convergence of peridynamics to classical elasticity theory SO JOURNAL OF ELASTICITY LA English DT Article DE peridynamics; elasticity theory; non-local theory; integral equations; continuum mechanics ID LINEAR ELASTICITY; OPTICAL TWEEZERS; FORCE; REFORMULATION; MECHANICS; DYNAMICS; FRACTURE; EQUATION; STRESS; MODEL AB The peridynamic model of solid mechanics is a nonlocal theory containing a length scale. It is based on direct interactions between points in a continuum separated from each other by a finite distance. The maximum interaction distance provides a length scale for the material model. This paper addresses the question of whether the peridynamic model for an elastic material reproduces the classical local model as this length scale goes to zero. We show that if the motion, constitutive model, and any nonhomogeneities are sufficiently smooth, then the peridynamic stress tensor converges in this limit to a Piola-Kirchhoff stress tensor that is a function only of the local deformation gradient tensor, as in the classical theory. This limiting Piola-Kirchhoff stress tensor field is differentiable, and its divergence represents the force density due to internal forces. The limiting, or collapsed, stress-strain model satisfies the conditions in the classical theory for angular momentum balance, isotropy, objectivity, and hyperelasticity, provided the original peridynamic constitutive model satisfies the appropriate conditions. C1 [Silling, S. A.; Lehoucq, R. B.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Silling, SA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM sasilli@sandia.gov NR 32 TC 93 Z9 96 U1 11 U2 58 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0374-3535 J9 J ELASTICITY JI J. Elast. PD OCT PY 2008 VL 93 IS 1 BP 13 EP 37 DI 10.1007/s10659-008-9163-3 PG 25 WC Engineering, Multidisciplinary; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA 340OZ UT WOS:000258656200002 ER PT J AU Li, YJ Liu, C Yang, MH He, Y Yeung, ES AF Li, Yong-Jun Liu, Cai Yang, Ming-Hui He, Yan Yeung, E. S. TI Large-scale self-assembly of hydrophilic gold nanoparticles at oil/water interface and their electro-oxidation for nitric oxide in solution SO JOURNAL OF ELECTROANALYTICAL CHEMISTRY LA English DT Article DE Gold nanoparticles; Self-assembly; Interface; Nitric oxide; Electrochemistry ID GLASSY-CARBON ELECTRODE; ELECTROCATALYTIC REDUCTION; FILMS; OXIDATION; SENSOR; MONOLAYER; BIOSENSOR; RELEASE; ARRAYS; METAL AB Mono-/bi-layer Au nanoparticle films with large areas were prepared by the assembly of Au nanoparticles in aqueous colloid at toluene/water interfaces, which can be transferred onto the hydrophilic solid surface and adhere strongly to the substrate without any binding agent. The transferred Au nanoparticle films exhibited satisfactory catalytic performance for electro-oxidizing nitric oxide (NO) in solution, and had a low detection limit (2.7 x 10(-8) mol/L), a rapid response time (less than 0.5 s) and a wide linear range (5.0 x 10(-8)-1.0 x 10(-5) mol/L) for the detection of NO in solution. UV-vis spectra, cyclic voltammetry and chronoamperometry were conducted to characterize the prepared Au nanoparticle films. (C) 2008 Elsevier B.V. All rights reserved. C1 [Li, Yong-Jun; Liu, Cai; Yang, Ming-Hui; He, Yan; Yeung, E. S.] Hunan Univ, Coll Chem & Chem Engn, State Key Lab Chemo Biosensing & Chemometr, Ctr Biomed Engn, Changsha 410082, Hunan, Peoples R China. [Yeung, E. S.] Iowa State Univ, Ames Lab, USDOE, Ames, IA 50011 USA. [Yeung, E. S.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Li, YJ (reprint author), Hunan Univ, Coll Chem & Chem Engn, State Key Lab Chemo Biosensing & Chemometr, Ctr Biomed Engn, Changsha 410082, Hunan, Peoples R China. EM liyongjunef@gmail.com; yanhe2021@gmail.com OI Li, Yong-Jun/0000-0003-1480-4942 FU National Natural Science Foundation [20703016]; Ministry of Education of China FX This study was supported financially by Grants from the National Natural Science Foundation (20703016) and the "985" Foundation of Ministry of Education of China. NR 36 TC 28 Z9 28 U1 2 U2 20 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 1572-6657 EI 1873-2569 J9 J ELECTROANAL CHEM JI J. Electroanal. Chem. PD OCT 1 PY 2008 VL 622 IS 1 BP 103 EP 108 DI 10.1016/j.jelechem.2008.05.007 PG 6 WC Chemistry, Analytical; Electrochemistry SC Chemistry; Electrochemistry GA 362ZH UT WOS:000260235200015 ER PT J AU Borch, T Camper, AK Biederman, JA Butterfield, PW Gerlach, R Amonette, JE AF Borch, Thomas Camper, Anne K. Biederman, Joel A. Butterfield, Phillip W. Gerlach, Robin Amonette, James E. TI Evaluation of characterization techniques for iron pipe corrosion products and iron oxide thin films SO JOURNAL OF ENVIRONMENTAL ENGINEERING-ASCE LA English DT Article ID DISINFECTION BY-PRODUCTS; CARBONATE GREEN RUST; DRINKING-WATER; COATED SAND; MOSSBAUER-SPECTROSCOPY; REMOVAL; FERRIHYDRITE; FILTRATION; DEPOSITION; PHOSPHATE AB A common problem faced by drinking water studies is that of properly characterizing the corrosion products (CP) in iron pipes or synthetic Fe (hydr)oxides used to simulate the iron pipe used in municipal drinking-water systems. The present work compares the relative applicability of a suite of imaging and analytical techniques for the characterization of CPs and synthetic Fe oxide thin films and provide an overview of the type of data that each instrument can provide as well as their limitations to help researchers and consultants choose the best technique for a given task. Crushed CP from a water distribution system and synthetic Fe oxide thin films formed on glass surfaces were chosen as test samples for this evaluation. The CP and synthetic Fe oxide thin films were analyzed by atomic force microscopy (AFM), scanning electron microscopy (SEM), energy-dispersive spectroscopy, time-of-flight secondary ion mass spectrometry (ToF-SIMS), X-ray powder diffractometry (XRD), grazing incident diffractometry (GID), transmission electron microscopy (TEM), selected area electron diffraction, X-ray photoelectron spectroscopy (XPS), Fourier transform infrared, Mossbauer spectroscopy, Brunauer-Emmett-Teller N-2 adsorption and Fe concentration was determined by the ferrozine method. XRD and GID were found to be the most suitable techniques for identification of the mineralogical composition of CP and synthetic Fe oxide thin films, respectively. AFM and a combined ToF-SIMS-AFM approach proved excellent for roughness and depth profiling analysis of synthetic Fe oxide thin films, respectively. Corrosion products were difficult to study by AFM due to their surface roughness, while synthetic Fe oxide thin films resisted most spectroscopic methods due to their limited thickness (118 nm). XPS analysis is not recommended for mixtures of Fe (hydr)oxides due to their spectral similarities. SEM and TEM provided great detail on mineralogical morphology. C1 [Borch, Thomas] Colorado State Univ, Dept Soil & Crop Sci, Ft Collins, CO 80523 USA. [Borch, Thomas] Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA. [Camper, Anne K.] Montana State Univ, Dept Civil Engn, Bozeman, MT 59717 USA. [Camper, Anne K.; Gerlach, Robin] Montana State Univ, Ctr Biofilm Engn, Bozeman, MT 59717 USA. [Biederman, Joel A.] Suffield Acad, Suffield, CT 06078 USA. [Butterfield, Phillip W.] Washington State Univ, Dept Civil & Environm Engn, Spokane, WA 99210 USA. [Gerlach, Robin] Montana State Univ, Dept Chem & Biol Engn, Bozeman, MT 59717 USA. [Amonette, James E.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Borch, T (reprint author), Colorado State Univ, Dept Soil & Crop Sci, Ft Collins, CO 80523 USA. EM borch@colostate.edu; anne_c@biofilm.montana.edu RI Biederman, Joel/F-2098-2010; Gerlach, Robin/A-9474-2012; Borch, Thomas/A-2288-2008 OI Borch, Thomas/0000-0002-4251-1613 FU U. S. Department of Defense, Army Research Office, [DAAD19-991-0092]; USEPA [CR-826927010]; U. S. Department of Energy, Office of Science, Environmental Management Science Program [DE-FG02-03ER63582] FX Analytical work was performed at the Image and Chemical Analysis Laboratory at Montana State University (MSU) and the W. R. Wiley Environmental Molecular Sciences Laboratory (EMSL) at Pacific Northwest National Laboratory, operated for the Department of Energy by Battelle. Special thanks go to Alice Dohnalkova, Ravi Kukkadapu, and David McCready at EMSL for their scientific and technical contributions. Support was provided by Colorado State University to the lead writer, the U. S. Department of Defense, Army Research Office, Grant No. DAAD19-991-0092, the USEPA through its Office of Research and Development partially funded and collaborated in this research under Agreement No. CR-826927010, and this research was also partially supported by the U. S. Department of Energy, Office of Science, Environmental Management Science Program, under Grant No. DE-FG02-03ER63582. The writers also acknowledge the thoughtful comments provided by the associate editor and four anonymous reviewers. NR 50 TC 8 Z9 8 U1 0 U2 26 PU ASCE-AMER SOC CIVIL ENGINEERS PI RESTON PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA SN 0733-9372 J9 J ENVIRON ENG-ASCE JI J. Environ. Eng.-ASCE PD OCT PY 2008 VL 134 IS 10 BP 835 EP 844 DI 10.1061/(ASCE)0733-9372(2008)134:10(835) PG 10 WC Engineering, Environmental; Engineering, Civil; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 349CT UT WOS:000259257100003 ER PT J AU Saripalli, KP Lindberg, MJ Meyer, PD AF Saripalli, K. P. Lindberg, M. J. Meyer, P. D. TI Measurement of solute diffusion behavior in fractured waste glass media SO JOURNAL OF ENVIRONMENTAL ENGINEERING-ASCE LA English DT Article ID HYDROLOGIC PROPERTIES; CRYSTALLINE ROCKS AB Determination of aqueous diffusion coefficients of solutes through fractured media is essential for understanding and modeling contaminant transport at many hazardous waste disposal sites. Development of experimental methods and measurements for the characterization of diffusion in fractured glass media is necessary for the design and performance assessment of glassified radionuclear waste disposal facilities. We report on the use of time-lag diffusion experimental method to assess the diffusion behavior of three different solutes (Cs, Sr, and pentafluoro benzoic acid) in fractured, immobilized low activity waste (ILAW) glass forms. A fractured media time-lag diffusion experimental apparatus, which allows the measurement of diffusion coefficients, has been designed and built for this purpose. Use of time-lag diffusion method, a considerably easier experimental method than the other available methods, was not previously demonstrated for measuring diffusion in fractured waste glass media. Hydraulic conductivity, porosity, and diffusion coefficients of a solute were experimentally measured in fractured glass blocks using this method for the first time. Results agree with the range of properties reported for similar rock media earlier, indicating that the time-lag experimental method can effectively characterize the diffusion coefficients of fractured ILAW glass media. Data presented are rare and useful for the design of vitrified glass disposal facilities. C1 [Meyer, P. D.] Pacific NW Natl Lab, Portland, OR 97204 USA. [Saripalli, K. P.; Lindberg, M. J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Meyer, PD (reprint author), Pacific NW Natl Lab, 620 SW 5th Ave,Suite 810, Portland, OR 97204 USA. EM philip.meyer@pnl.gov NR 11 TC 0 Z9 0 U1 0 U2 0 PU ASCE-AMER SOC CIVIL ENGINEERS PI RESTON PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA SN 0733-9372 J9 J ENVIRON ENG-ASCE JI J. Environ. Eng.-ASCE PD OCT PY 2008 VL 134 IS 10 BP 879 EP 883 DI 10.1061/(ASCE)0733-9372(2008)134:10(879) PG 5 WC Engineering, Environmental; Engineering, Civil; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 349CT UT WOS:000259257100008 ER PT J AU Smith, MA Larsen, IL Fentiman, AW AF Smith, Michael A. Larsen, Ingvar L. Fentiman, Audeen W. TI Fate of Co-60 at a sludge land application SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY LA English DT Article DE biosolid heavy metal; vertical migration; mass balance; radionuclide; Co-60 ID RADIOACTIVE MATERIALS; AGRICULTURAL SOILS; RADIONUCLIDES; MIGRATION; CS-137; RETENTION; BIOSOLIDS; FALLOUT; METALS; TIMES AB Vertical distributions of (CO)-C-60 are determined in soil cores obtained from a 10-ha grassland, where anaerobically digested sludge was applied by surface spraying from 1986 to 1995 on the U.S. Department of Energy's Oak Ridge Reservation. These results, along with historical application records, are used to estimate vertical-migration rates and perform a mass balance. The presence of Co-60 results solely from the sludge-application process. Soil, vegetation, and surface-water samples were collected. Eleven soil cores were sectioned into 3-cm increments and analyzed by gamma-ray spectrometry. No (CO)-C-60 was detected in the vegetation or water samples. The downward migration rate of Co-60 in the upper 15 cm of soil ranged from 0.50 to 0.73 cm/yr. About 98%, 0.020 +/- 0.011 Bq/cm(2), of 60Co remained in the upper 15 cm of soil, which compared favorably with the expected Co-60 activity based on historical records of 0.019 +/- 0.010 Bq/cm(2). (c) 2008 Elsevier Ltd. All rights reserved. C1 [Smith, Michael A.; Fentiman, Audeen W.] Ohio State Univ, Environm Sci Grad Program, Columbus, OH 43210 USA. [Larsen, Ingvar L.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Smith, MA (reprint author), Pacific NW Natl Lab, POB 999,Battelle US DOE,MS K3-54, Richland, WA 99354 USA. EM michael.smith@pnl.gov FU Lockheed Martin Energy Research, Inc. [DE-AC05-96OR22464] FX This research was performed under subcontract ERD-88-793 with the City of Oak Ridge, Tennessee, under Lockheed Martin Energy Research, Inc. contract DE-AC05-96OR22464 with the U.S. Department of Energy, and under appointment to the Applied Health Physics Fellowship Program administered by the Oak Ridge Institute for Science and Education for the U.S. Department of Energy. NR 31 TC 0 Z9 0 U1 0 U2 4 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0265-931X J9 J ENVIRON RADIOACTIV JI J. Environ. Radioact. PD OCT PY 2008 VL 99 IS 10 BP 1611 EP 1616 DI 10.1016/j.jenvrad.2008.06.006 PG 6 WC Environmental Sciences SC Environmental Sciences & Ecology GA 355QS UT WOS:000259724000017 PM 18649975 ER PT J AU Hu, QH Rose, TP Zavarin, M Smith, DK Moran, JE Zhao, PH AF Hu, Q. H. Rose, T. P. Zavarin, M. Smith, D. K. Moran, J. E. Zhao, P. H. TI Assessing field-scale migration of radionuclides at the Nevada Test Site: "mobile" species SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY LA English DT Article DE radionuclide; redox condition; transport; field-scale; saturated zone; Nevada Test Site; Yucca Mountain ID UNDERGROUND NUCLEAR TESTS; GROUNDWATER-FLOW-PATH; ANION EXCLUSION; VARIABLE-CHARGE; YUCCA MOUNTAIN; MASS-SPECTROMETRY; UNSATURATED ZONE; SATURATED-ZONE; SAVANNA-RIVER; SOIL CORES AB Many long-lived radionuclides are present in groundwater at the Nevada Test Site (NTS) as a result of 828 underground nuclear weapons tests conducted between 1951 and 1992. In conjunction with a comprehensive geochemical review of radionuclides (H-3, C-14, Cl-36, Tc-99 and I-129) that are presumably mobile in the subsurface, we synthesized a body of radionuclide activity data measured from groundwater samples collected at 18 monitoring wells, to qualitatively assess their migration at the NTS over distances of hundreds of meters and over timescales of decades. Tritium and Cl-36 showed little evidence of retardation, while the transport of C-14 may have been retarded by its isotopic exchange with carbonate minerals in the aquifer. Observed local reducing conditions (either natural or test-induced) will impact the mobility of certain redox-sensitive radionuclides (especially Tc-99) that were otherwise soluble and readily transported under oxidizing conditions. Conversely, strongly oxidizing conditions may impact the mobility of I-129 which is mobile under reducing conditions. The effect of iodine speciation on its transport deserves further attention. Indication of delayed transport of some "mobile" radionuclides (especially Tc-99) in the groundwater at the NTS suggested the importance of redox conditions of the natural system in controlling the fate and transport of radionuclides, which has implications in the enhanced performance of the potential Yucca Mountain repository, located adjacent to the NTS, to store high-level nuclear wastes as well as management of radionuclide contamination in legacy nuclear operations facilities. (c) 2008 Elsevier Ltd. All rights reserved. C1 [Hu, Q. H.] Beijing Normal Univ, Coll Water Sci, Beijing 100875, Peoples R China. [Hu, Q. H.] Univ Texas Arlington, Dept Earth & Environm Sci, Arlington, TX 76019 USA. [Rose, T. P.; Zavarin, M.; Smith, D. K.; Moran, J. E.; Zhao, P. H.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Hu, QH (reprint author), Beijing Normal Univ, Coll Water Sci, Xinjiekouwai St 19, Beijing 100875, Peoples R China. EM huqinhong@yahoo.com RI Hu, Qinhong/C-3096-2009 OI Hu, Qinhong/0000-0002-4782-319X FU Lawrence Livermore National Laboratory (LLNL) [AC5207NA27344] FX This work was mostly supported by the United States Department of Energy (DOE), Office of Civilian Radioactive Waste Management (OCRWM), The Office of Chief Scientist (OCS). The views, opinions, findings, and conclusions or recommendations expressed herein do not necessarily state or reflect those of the DOE/OCRWM/OCS. Financial support is also acknowledged from the Underground Test Area Project, National Nuclear Security Administration, Nevada Site Office. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC5207NA27344. NR 81 TC 15 Z9 15 U1 2 U2 25 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0265-931X J9 J ENVIRON RADIOACTIV JI J. Environ. Radioact. PD OCT PY 2008 VL 99 IS 10 BP 1617 EP 1630 DI 10.1016/j.jenvrad.2008.06.007 PG 14 WC Environmental Sciences SC Environmental Sciences & Ecology GA 355QS UT WOS:000259724000018 PM 18662844 ER PT J AU Fischer, PF Leaf, GK Restrepo, JM AF Fischer, Paul F. Leaf, Gary K. Restrepo, Juan M. TI Influence of torque on the lift and drag of a particle in an oscillatory flow SO JOURNAL OF FLUIDS ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article ID FINITE REYNOLDS-NUMBER; LINEAR SHEAR-FLOW; RIGID SPHERE; MODERATE RE; FORCES; SEDIMENT; CURRENTS AB we computed the lift and drag forces on a sphere, subjected to a wall-bounded oscillatory flow. The forces were found as a function of the Reynolds number, the forcing frequency, and the gap between the particle and the ideally smooth rigid bounding wall. Here we investigate how the forces change as a function of the above parameters and its moment of inertia if the particle is allowed to freely rotate. Allowing the particle to rotate does not change appreciably the drag force, as compared to the drag experienced by the particle when it is held fixed. Lift differences between the rotating and nonrotating cases are shown to be primarily dominated in the mean by the pressure component. The lift of the rotating particle varies significantly from the fixed-particle case and depends strongly on the Reynolds number, the forcing frequency, and the gap; much less so on the moment of inertia. Of special significance is that the lift is enhanced for small Reynolds numbers and suppressed for larger ones, with a clear transition point. We also examine how the torque changes when the particle is allowed to rotate as compared to when it is held fixed. As a function of the Reynolds number the torque of the fixed sphere is monotonically decreasing in the range Re = 5 to Re = 400. The rotating-sphere counterpart experiences a smaller and more complex torque, synchronized with the lift transition mentioned before. As a function of the gap, the torque is significantly larger in the fixed particle case. C1 [Fischer, Paul F.; Leaf, Gary K.] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. [Restrepo, Juan M.] Univ Arizona, Dept Math, Tucson, AZ 85721 USA. [Restrepo, Juan M.] Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. RP Fischer, PF (reprint author), Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. OI Restrepo, Juan/0000-0003-2609-2882 FU Argonne National Laboratory under the auspices of the Department of Energy [W-31-109-Eng-38]; DOE [DE-FG02-03ER25577] FX This work was carried out in part at the Argonne National Laboratory under the auspices of the Department of Energy under Contract No. W-31-109-Eng-38. J.M.R. wishes to thank the MCS Division at Argonne, as well as the support by DOE through Grant No. DE-FG02-03ER25577. NR 22 TC 1 Z9 2 U1 0 U2 7 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0098-2202 EI 1528-901X J9 J FLUID ENG-T ASME JI J. Fluids Eng.-Trans. ASME PD OCT PY 2008 VL 130 IS 10 AR 101303 DI 10.1115/1.2969456 PG 9 WC Engineering, Mechanical SC Engineering GA 348CL UT WOS:000259188500012 ER PT J AU Pozzi, G Quici, S Fish, RH AF Pozzi, Gianluca Quici, Silvio Fish, Richard H. TI Fluorous phase transfer catalysts: From onium salts to crown ethers SO JOURNAL OF FLUORINE CHEMISTRY LA English DT Review DE Ammonium salts; Fluorinated ligands; Multiphase catalysis; Phosphonium salts; Perfluorocarbons; Waste minimization ID QUATERNARY AMMONIUM-SALTS; INTERFACIAL-CATALYSIS; ORGANIC-SYNTHESIS; SYNTHETIC APPLICATIONS; PERFLUORO MACROCYCLES; PHOSPHONIUM SALTS; 2-PHASE REACTIONS; IONIC LIQUIDS; CHEMISTRY; COMPLEXATION AB Fluorous quaternary ammonium and phosphonium salts, as well as fluorous macrocyclic ligands, such as crown and aza-crown ethers, have been gradually emerging as viable alternatives to classical phase transfer catalysts. The major results thus far obtained in this burgeoning field will be the focus of this review. (C) 2008 Elsevier B.V. All rights reserved. C1 [Pozzi, Gianluca; Quici, Silvio] CNR, Ist Sci & Tecnol Mol, I-20133 Milan, Italy. [Fish, Richard H.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Fish, RH (reprint author), CNR, Ist Sci & Tecnol Mol, Via Golgi 19, I-20133 Milan, Italy. EM gianluca.pozzi@istm.cnr.it; rhfish@lbl.gov RI Pozzi, Gianluca/G-1499-2011 OI Pozzi, Gianluca/0000-0002-1469-9284 FU CNR; US Department of Energy [DE AC03-76SFOO098] FX Support by CNR (G.P., S.Q.) and by the US Department of Energy under Contract No DE AC03-76SFOO098 (R.H.F.) is gratefully acknowledged. NR 56 TC 23 Z9 23 U1 1 U2 24 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0022-1139 J9 J FLUORINE CHEM JI J. Fluor. Chem. PD OCT PY 2008 VL 129 IS 10 SI SI BP 920 EP 929 DI 10.1016/j.jfluchem.2008.06.001 PG 10 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA 369JT UT WOS:000260691200005 ER PT J AU Jankowski, TA Prenger, FC Razani, A AF Jankowski, T. A. Prenger, F. C. Razani, A. TI Experimental study of a curved rotating heat pipe SO JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME LA English DT Article DE experimental heat transfer; rotating heat pipe; revolving heat pipe ID MIXED CONVECTION; PARALLEL PLATES; LAMINAR; FLOW AB A curved rotating heat pipe for use in motor and generator applications is studied experimentally The heat pipe is built so that both the condenser and evaporator sections are parallel to the axis of rotation. The condenser section is close to the axis of rotation while the evaporator section can be placed in contact with off-axis heat sources in the rotating machine. The geometry is achieved by incorporating an S-shaped curve between the on-axis rotating condenser section and the off-axis revolving evaporator section. The curved rotating heat pipe allows for a direct coupling of the rotating condenser section to an on-axis stationary refrigeration system, while allowing the revolving evaporator section to intercept off-axis heat sources in the rotating machine. An experimental rotating heat pipe test apparatus was built and operated. The test data indicate that the working fluid continued to circulate, resulting in heat transfer with a high effective thermal conductivity with the curved rotating heat pipe operating under the influence of centrifugal accelerations approaching 400g. Furthermore, the experimental results were used to validate a heat pipe thermal model that can be used in the design of rotating machines that rely on the curved rotating heat pipe as part of the thermal management system. C1 [Jankowski, T. A.; Prenger, F. C.] Los Alamos Natl Lab, Mech & Thermal Engn Grp AET 1, Los Alamos, NM 87545 USA. [Razani, A.] Univ New Mexico, Dept Mech Engn, Albuquerque, NM 87131 USA. RP Jankowski, TA (reprint author), Los Alamos Natl Lab, Mech & Thermal Engn Grp AET 1, MS J580, Los Alamos, NM 87545 USA. EM jankowski@lanl.gov RI Jankowski, Todd/A-8793-2014 FU Superconductivity Technology Center at the Los Alamos National Laboratory FX Funding was provided by the Superconductivity Technology Center at the Los Alamos National Laboratory. Los Alamos National Laboratory is operated by Los Alamos National :Security LLC for the Department of Energy. NR 35 TC 2 Z9 2 U1 3 U2 8 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0022-1481 J9 J HEAT TRANS-T ASME JI J. Heat Transf.-Trans. ASME PD OCT PY 2008 VL 130 IS 10 AR 101601 DI 10.1115/1.2953303 PG 8 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA 357NS UT WOS:000259854000006 ER PT J AU Allanach, BC Hooper, D AF Allanach, Benjamin C. Hooper, Dan TI Panglossian prospects for detecting neutralino dark matter in light of natural priors? SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Review DE Supersymmetric Standard Model; Cosmology of Theories beyond the SM ID SUPERSYMMETRIC STANDARD MODEL; NUCLEON CROSS-SECTION; LARGE TAN-BETA; GALACTIC-CENTER; GAMMA-RAYS; ELECTROWEAK BREAKING; INDIRECT SEARCH; RELIC DENSITY; LIQUID ARGON; ANNIHILATIONS AB In most global fits of the constrained minimal supersymmetric model (CMSSM) to indirect data, the a priori likelihoods of any two points in tan beta are treated as equal, and the more fundamental mu and B Higgs potential parameters are fixed by potential minimization conditions. We find that, if instead a flat ("natural") prior measure on mu and B is placed, a strong preference exists for the focus point region from fits to particle physics and cosmological data. In particular, we find that the lightest neutralino is strongly favored to be a mixed bino-higgsino (similar to 10% higgsino). Such mixed neutralinos have large elastic scattering cross sections with nuclei, leading to extremely promising prospects for both underground direct detection experiments and neutrino telescopes. In particular, the majority of the posterior probability distribution falls within parameter space within an order of magnitude of current direct detection constraints. Furthermore, neutralino annihilations in the sun are predicted to generate thousands of neutrino induced muon events per years at IceCube. Thus, assuming the framework of the CMSSM and using the natural prior measure, modulo caveats regarding astrophysical uncertainties, we are likely to be living in a world with good prospects for the direct and indirect detection of neutralino dark matter. These conclusions have a dependence upon the prior measure, which more data will reduce. C1 [Allanach, Benjamin C.] Univ Cambridge, CMS, DAMTP, Cambridge CB3 0WA, England. [Hooper, Dan] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Hooper, Dan] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. RP Allanach, BC (reprint author), Univ Cambridge, CMS, DAMTP, Wilberforce Rd, Cambridge CB3 0WA, England. EM allanach@cern.ch; dhooper@fnal.gov FU US Department of Energy; NASA [NNX08AH34G]; STFC FX DH is supported by the Fermi Research Alliance, LLC under Contract No. DE-AC02-07CH11359 with the US Department of Energy and by NASA grant NNX08AH34G. This work has been partially supported by STFC. The computational work has been performed using the Cambridge eScience CAMGRID computing facility, with the invaluable help of M. Calleja. NR 130 TC 11 Z9 11 U1 0 U2 2 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 OCT PY 2008 IS 10 AR 071 PG 27 WC Physics, Particles & Fields SC Physics GA 370JT UT WOS:000260759200071 ER PT J AU Antipin, O Soni, A AF Antipin, Oleg Soni, Amarjit TI Towards establishing the spin of warped gravitons SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Field Theories in Higher Dimensions; Beyond Standard Mode ID RANDALL-SUNDRUM MODEL; GAUGE BOSONS; BULK FIELDS; HIERARCHY; MIXINGS; DECAYS; MASSES; HIGGS AB We study the possibility of experimental verification of the spin = 2 nature of the Kaluza-Klein (KK) graviton which is predicted to exist in the extra-dimensional Randal-Sundrum (RS) warped models. The couplings of these gravitons to the particles located on or near the TeV brane is the strongest as the overlap integral of their profiles in the extra-dimension is large. Among them are unphysical Higgses (W-L(+/-) and Z(L)) and KK excitations of the Standard Model (SM) gauge bosons. We consider the possibility to confirm the spin-2 nature of the first KK mode of the warped graviton (G(1)) based on the angular distribution of the Z bozon in the graviton rest frame in the gg -> G(1)-> W-KK(Z(KK))W(Z)-> WWZ, gg -> G(1)-> ZZ and gg -> G(1)-> Z(KK)Z -> ZZH decay channels. Using Wigner D-matrix properties, we derive the relationship between the graviton spin, signal angular distribution peak value, and other theoretically calculable quantities. We then study the LHC signals for these decay modes and find that with 1000 fb(-1) of data, spin of the RS graviton up to similar to 2 TeV may be confirmed in the pp -> W-KK(Z(KK))W(Z)-> WWZ -> 3 leptons + jet + E-T and pp -> ZZ -> 4 leptons decay modes. C1 [Antipin, Oleg] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Soni, Amarjit] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Antipin, O (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. EM oaanti02@iastate.edu; soni@bnl.gov FU DOE [DE-FG02-01ER41155, DE-AC02-98CH10886] FX We thank Hooman Davoudiasl for a careful reading of the manuscript and for many useful discussions. Work of O.A. is supported in part by DOE under contract number DE-FG02-01ER41155. A.S. is supported in part by the DOE grant DE-AC02-98CH10886 (BNL). NR 44 TC 17 Z9 17 U1 0 U2 1 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 OCT PY 2008 IS 10 AR 018 PG 18 WC Physics, Particles & Fields SC Physics GA 370JT UT WOS:000260759200018 ER PT J AU Bardakci, K AF Bardakci, Korkut TI A new world sheet field theory SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Nonperturbative Effects; 1/N Expansion ID DUAL AMPLITUDES; MODEL AB A second quantized field theory on the world sheet is developed for summing planar graphs of the phi(3) theory. This is in contrast to the earlier work, which was based on first quantization. The ground state of the model is investigated with the help of a variational ansatz. In complete agreement with standard perturbation theory, the infinities encountered in carrying out this calculation can be eliminated by the renormalization of the parameters of the model. We also find that, as in the earlier work, in the ground state, graphs form a dense network (condensate) on the world sheet. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. RP Bardakci, K (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. EM kbardakci@lbl.gov FU U.S. Department of Energy [AC02-05CH11231] FX This work was supported by the Director, Office of Science, Office of High Energy Physics, of the U.S. Department of Energy under Contract DE-AC02-05CH11231. NR 12 TC 4 Z9 4 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 OCT PY 2008 IS 10 AR 056 PG 19 WC Physics, Particles & Fields SC Physics GA 370JT UT WOS:000260759200056 ER PT J AU Burns, M Kong, K Matchev, KT Park, M AF Burns, Michael Kong, Kyoungchul Matchev, Konstantin T. Park, Myeonghun TI A general method for model-independent measurements of particle spins, couplings and mixing angles in cascade decays with missing energy at hadron colliders SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Beyond Standard Model; Supersymmetric Standard Model; Hadronic Colliders ID UNIVERSAL EXTRA DIMENSIONS; DARK-MATTER; SUPERSYMMETRY; PHENOMENOLOGY; LHC; PARITY AB We outline a general strategy for measuring spins, couplings and mixing angles in the case of a heavy partner decay chain terminating in an invisible particle. We consider the common example of a heavy scalar or fermion D decaying sequentially to other heavy particles C, B and A by emitting a quark jet j and two leptons l(n)(+/-) and l(f)(-/+). We derive analytic formulas for the dilepton ({l(+)l(-)}) and the two jet-lepton ({jl(n)} and {jl(f)}) invariant mass distributions for the case of most general couplings and mixing angles of the heavy partners. We then consider various spin assignments for the heavy particles A, B, C and D, and for each case, derive the relevant functional basis for the invariant mass distributions which contains the intrinsic spin information and does not depend on the couplings and mixing angles. We propose a new method for determining the spins of the heavy partners, using the three experimentally observable distributions {l(+)l(-)}, {jl(+)} + {jl(-)} and {jl(+)} - {jl(-)}. We show that the former two only depend on a single model-dependent parameter alpha, while the latter may depend on two other parameters beta and gamma. By fitting these distributions to our set of basis functions, we are able to do a pure measurement of the spins per se. Our method is also applicable at a p (p) over bar collider such as the Tevatron, for which the previously proposed lepton charge asymmetry is identically zero and does not contain any spin information. In the process of determining the spins, we also end up with an independent measurement of the parameters alpha, beta and gamma, which represent certain combinations of the couplings and the mixing angles of the heavy partners A, B, C and D. C1 [Burns, Michael; Matchev, Konstantin T.; Park, Myeonghun] Univ Florida, Dept Phys, Gainesville, FL 32611 USA. [Kong, Kyoungchul] Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. RP Burns, M (reprint author), Univ Florida, Dept Phys, Gainesville, FL 32611 USA. EM burns@phys.ufl.edu; kckong@fnal.gov; matchev@phys.ufl.edu; ishaed@phys.ufl.edu FU US Department of Energy [DE-FG02-97ER41029] FX This work is supported in part by a US Department of Energy grant DE-FG02-97ER41029. Fermilab is operated by Fermi Research Alliance, LLC under Contract No. DE-AC02-07CH11359 with the U. S. Department of Energy. NR 56 TC 36 Z9 36 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 OCT PY 2008 IS 10 AR 081 PG 64 WC Physics, Particles & Fields SC Physics GA 370JT UT WOS:000260759200081 ER PT J AU Carena, M Freitas, A Wagner, CEM AF Carena, M. Freitas, A. Wagner, C. E. M. TI Light stop searches at the LHC in events with one hard photon or jet and missing energy SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Supersymmetry Phenomenology ID ELECTROWEAK PHASE-TRANSITION; FINITE-TEMPERATURE; HADRON COLLIDERS; DIMENSIONAL REDUCTION; EXTRA DIMENSIONS; MEASURING MASSES; STANDARD MODEL; HIGGS-BOSON; TOP QUARKS; BARYOGENESIS AB Low energy supersymmetric models provide a solution to the hierarchy problem and also have the necessary ingredients to solve two of the most outstanding issues in cosmology: the origin of the baryon asymmetry and the source of dark matter. In the MSSM, weak scale generation of the baryon asymmetry may be achieved in the presence of light stops, with masses lower than about 130 GeV. Moreover, the proper dark matter density may be obtained in the stop-neutralino co-annihilation region, where the stop-neutralino mass difference is smaller than a few tens of GeV. Searches for scalar top quarks (stops) in pair production processes at the Tevatron and at the Large Hadron Collider (LHC) become very challenging in this region of parameters. At the LHC, however, light stops proceeding from the decay of gluino pairs may be identified, provided the gluino mass is smaller than about 900 GeV. In this article we propose an alternative method for stop searches in the co-annihilation region, based on the search for these particles in events with missing energy plus one hard photon or jet. We show that this method is quite efficient and, when complemented with ongoing Tevatron searches, allows to probe stop masses up to about 160 GeV, fully probing the region of parameters consistent with electroweak baryogenesis in the MSSM. C1 [Carena, M.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Freitas, A.] Univ Pittsburgh, Dept Phys, Pittsburgh, PA 15260 USA. [Freitas, A.; Wagner, C. E. M.] Argonne Natl Lab, HEP Div, Argonne, IL 60439 USA. [Freitas, A.; Wagner, C. E. M.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Freitas, A.; Wagner, C. E. M.] Univ Chicago, Kavli Inst Cosmol Phys, Dept Phys, Chicago, IL 60637 USA. RP Carena, M (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM carena@fnal.gov; afreitas@pitt.edu; cwagner@hep.anl.gov FU US DOE, Division of HEP [DE-AC-02-06CH11357] FX We would like to thank S. Kraml, A. Raklev, M. Schmitt, T. Sjostrand and J. Wacker for useful discussions and comments. Work at ANL is supported in part by the US DOE, Division of HEP, Contract DE-AC-02-06CH11357. Fermilab is operated by Universities Research Association Inc. under contract no. DE-AC-02-76CH02000 with the DOE. The authors are thankful to the Aspen Center for Physics, where part of this work has been performed. M. C. and C. W. are grateful to the KITP, Santa Barbara, and the KITPC, Beijing, for hospitality during stages of this work. NR 69 TC 44 Z9 44 U1 0 U2 2 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 OCT PY 2008 IS 10 AR 109 PG 20 WC Physics, Particles & Fields SC Physics GA 370JT UT WOS:000260759200109 ER PT J AU Carena, M Nardini, G Quiros, M Wagner, CEM AF Carena, M. Nardini, G. Quiros, M. Wagner, C. E. M. TI The effective theory of the light stop scenario SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Baryogenesis; Supersymmetric Effective Theories; Supersymmetry Phenomenology; Renormalization Group ID SUPERSYMMETRIC STANDARD MODEL; ELECTROWEAK PHASE-TRANSITION; RENORMALIZATION-GROUP EQUATIONS; QUANTUM-FIELD THEORY; HIGGS-BOSON MASSES; FINITE-TEMPERATURE; BARYON ASYMMETRY; CP-VIOLATION; TOP QUARKS; BARYOGENESIS AB Electroweak baryogenesis in the minimal supersymmetric extension of the Standard Model may be realized within the light stop scenario, where the right-handed stop mass remains close to the top-quark mass to allow for a sufficiently strong first order electroweak phase transition. All other supersymmetric scalars are much heavier to comply with the present bounds on the Higgs mass and the electron and neutron electric dipole moments. Heavy third generation scalars render it necessary to resum large logarithm contributions to perform a trustable Higgs mass calculation. We have studied the one-loop RGE improved effective theory below the heavy scalar mass scale and obtained reliable values of the Higgs mass. Moreover, assuming a common mass (m) over tilde for all heavy scalar particles, and values of all gaugino masses and the Higgsino mass parameter about the weak scale, and imposing gauge coupling unification, a two-loop calculation yields values of the mass (m) over tilde in the interval between three TeV and six hundred TeV. Furthermore for a stop mass around the top quark mass, this translates into an upper bound on the Higgs mass of about 150 GeV. The Higgs mass bound becomes even stronger, of about 129 GeV, for the range of stop and gaugino masses consistent with electroweak baryogenesis. The collider phenomenology implications of this scenario are discussed in some detail. C1 [Carena, M.] Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. [Nardini, G.; Quiros, M.] Univ Autonoma Barcelona, IFAE, E-08193 Barcelona, Spain. [Wagner, C. E. M.] Argonne Natl Lab, HEP Div, Argonne, IL 60439 USA. [Wagner, C. E. M.] Univ Chicago, EFI, KICP, Chicago, IL 60637 USA. [Wagner, C. E. M.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. RP Carena, M (reprint author), Fermilab Natl Accelerator Lab, Dept Theoret Phys, POB 500, Batavia, IL 60510 USA. EM carena@fnal.gov; germano@ifae.es; quiros@ifae.es; cwagner@hep.anl.gov FU European Commission [MRTN-CT-2004-503369, MR-TN-CT-2006-035863]; US DOE; Division of HEP [DE-AC-02-06CH11357]; United States Department of Energy [DE-AC0207CH11359]; CICYT, Spain [FPA 2005-02211] FX M. C. and C. W. would like to thank C. Balazs, A. Freitas, D. Morrisey and A. Menon for useful discussions and G. N. and M. Q. would like to thank T. Konstandin for interesting discussions. Work supported in part by the European Commission under the European Union through the Marie Curie Research and Training Networks "Quest for Unification" (MRTN-CT-2004-503369) and "UniverseNet" (MR-TN-CT-2006-035863). Work at ANL is supported in part by US DOE, Division of HEP, Contract DE-AC-02-06CH11357 and Fermilab is operated by Fermi Research Alliance, LLC under Contract No. DE-AC0207CH11359 with the United States Department of Energy. The work of M. Q. was partly supported by CICYT, Spain, under contract FPA 2005-02211. NR 71 TC 33 Z9 33 U1 0 U2 1 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 OCT PY 2008 IS 10 AR 062 PG 27 WC Physics, Particles & Fields SC Physics GA 370JT UT WOS:000260759200062 ER PT J AU Lubertozzi, D Keasling, JD AF Lubertozzi, David Keasling, Jay D. TI Expression of a synthetic Artemesia annua amorphadiene synthase in Aspergillus nidulans yields altered product distribution SO JOURNAL OF INDUSTRIAL MICROBIOLOGY & BIOTECHNOLOGY LA English DT Article DE Aspergillus nidulans; amorphadiene; artemisinin; sesquiterpene ID BETA-TRANS-BERGAMOTENE; ESCHERICHIA-COLI; ARISTOLOCHENE SYNTHASE; ARTEMISIA-ANNUA; AMORPHA-4,11-DIENE SYNTHASE; FARNESYL DIPHOSPHATE; PHYTASE GENE; BIOSYNTHESIS; CYCLIZATION; ENZYME AB A gene encoding a plant terpene cyclase, Artemisia annua amorpha-4,11-diene synthase (ADS), was expressed in Aspergillus nidulans under control of a strong constitutive promoter, (p)gpdA. The transformants produced only small amounts of amorphadiene, but much larger amounts of similar sesquiterpenes normally produced as minor by-products in planta. In contrast, expression of ADS in Escherichia coli produced almost exclusively amorpha-4,11-diene. These results indicate that the host environment can greatly impact the terpenes produced from terpene synthases. C1 [Keasling, Jay D.] Univ Calif Berkeley, Berkeley Ctr Synthet Biol, Berkeley, CA 94720 USA. [Lubertozzi, David; Keasling, Jay D.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Synthet Biol Dept, Berkeley, CA 94720 USA. RP Keasling, JD (reprint author), Univ Calif Berkeley, Berkeley Ctr Synthet Biol, 717 Potter St,Bldg 977,Mail Code 3224, Berkeley, CA 94720 USA. EM keasling@berkeley.edu RI Keasling, Jay/J-9162-2012 OI Keasling, Jay/0000-0003-4170-6088 NR 35 TC 9 Z9 11 U1 0 U2 8 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 OCT PY 2008 VL 35 IS 10 BP 1191 EP 1198 DI 10.1007/s10295-008-0400-3 PG 8 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 347LF UT WOS:000259142400015 PM 18651187 ER PT J AU Abat, E Addy, TN Akesson, TPA Alison, J Anghinolfi, F Arik, E Arik, M Atoian, G Auerbach, B Baker, OK Banas, E Baron, S Bault, C Becerici, N Beddall, A Beddall, AJ Bendotti, J Benjamin, DP Bertelsen, H Bingul, A Blampey, H Bocci, A Bochenek, M Bondarenko, VG Bychkov, V Callahan, J Garrido, MC Sas, LC Catinaccio, A Cetin, SA Chandler, T Chritin, R Cwetanski, P Dam, M Danielsson, H Danilevich, E David, E Degenhardt, J Di Girolamo, B Dittus, F Dixon, N Dobos, D Dogan, OB Dolgoshein, BA Dressnandt, N Driouchi, C Ebenstein, WL Eerola, P Egede, U Egorov, K Evans, H Farthouat, P Fedin, OL Fowler, AJ Fratina, S Froidevaux, D Fry, A Gagnon, P Gavrilenko, IL Gay, C Ghodbane, N Godlewski, J Goulette, M Gousakov, I Grigalashvili, N Grishkevich, Y Grognuz, J Hajduk, Z Hance, M Hansen, F Hansen, JB Hansen, JD Hansen, PH Hare, GA Harvey, A Hauviller, C High, A Hulsbergen, W Huta, W Issakov, V Istin, S Jain, V Jarlskog, G Jeanty, L Kantserov, VA Kaplan, B Kapliy, AS Katounine, S Kayumov, F Keener, PT Kekelidze, GD Khabarova, E Khristachev, A Kisielewski, B Kittelmann, TH Kline, C Klinkby, EB Klopov, NV Ko, BR Koffas, T Kondratieva, NV Konovalov, SP Koperny, S Korsmo, H Kovalenko, S Kowalski, TZ Kruger, K Kramarenko, V Kudin, LG Le Bihan, AC LeGeyt, BC Levterov, K Lichard, P Lindahl, A Lisan, V Lobastov, S Loginov, A Loh, CW Lokwitz, S Long, MC Lucas, S Lucotte, A Luehring, F Lundberg, B Mackeprang, R Maleev, VP Manara, A Mandl, M Martin, AJ Martin, FF Mashinistov, R Mayers, GM McFarlane, KW Mialkovski, V Mills, BM Mindur, B Mitsou, VA Mjornmark, U Morozov, SV Morris, E Mouraviev, SV Muir, AM Munar, A Nadtochi, AV Nesterov, SY Newcomer, FM Nikitin, N Novgorodova, O Novodvorski, EG Ogren, H Oh, SH Oleshko, SB Olivito, D Olszowska, J Ostrowicz, W Passmore, MS Patrichev, S Penwell, J Perez-Gomez, F Peshekhonov, VD Petersen, TC Petti, R Placci, A Poblaguev, A Pons, X Price, MJ Rohne, O Reece, RD Reilly, MB Rembser, C Romaniouk, A Rousseau, D Rust, D Ryabov, YF Ryjov, V Soderberg, M Savenkov, A Saxon, J Scandurra, M Schegelsky, VA Scherzer, MI Schmidt, MP Schmitt, C Sedykh, E Seliverstov, DM Shin, T Shmeleva, A Sivoklokov, S Smirnov, SY Smirnova, L Smirnova, O Smith, P Sosnovtsev, VV Sprachmann, G Subramania, S Suchkov, SI Sulin, VV Szczygiel, RR Tartarelli, G Thomson, E Tikhomirov, VO Tipton, P Ferrer, JAV Van Berg, R Vassilakopoulos, VI Vassilieva, L Wagner, P Wall, R Wang, C Whittington, D Williams, HH Zhelezko, A Zhukov, K AF Abat, E. Addy, T. N. Akesson, T. P. A. Alison, J. Anghinolfi, F. Arik, E. Arik, M. Atoian, G. Auerbach, B. Baker, O. K. Banas, E. Baron, S. Bault, C. Becerici, N. Beddall, A. Beddall, A. J. Bendotti, J. Benjamin, D. P. Bertelsen, H. Bingul, A. Blampey, H. Bocci, A. Bochenek, M. Bondarenko, V. G. Bychkov, V. Callahan, J. Garrido, M. Capeans Sas, L. Cardiel Catinaccio, A. Cetin, S. A. Chandler, T. Chritin, R. Cwetanski, P. Dam, M. Danielsson, H. Danilevich, E. David, E. Degenhardt, J. Di Girolamo, B. Dittus, F. Dixon, N. Dobos, D. Dogan, O. B. Dolgoshein, B. A. Dressnandt, N. Driouchi, C. Ebenstein, W. L. Eerola, P. Egede, U. Egorov, K. Evans, H. Farthouat, P. Fedin, O. L. Fowler, A. J. Fratina, S. Froidevaux, D. Fry, A. Gagnon, P. Gavrilenko, I. L. Gay, C. Ghodbane, N. Godlewski, J. Goulette, M. Gousakov, I. Grigalashvili, N. Grishkevich, Y. Grognuz, J. Hajduk, Z. Hance, M. Hansen, F. Hansen, J. B. Hansen, J. D. Hansen, P. H. Hare, G. A. Harvey, A., Jr. Hauviller, C. High, A. Hulsbergen, W. Huta, W. Issakov, V. Istin, S. Jain, V. Jarlskog, G. Jeanty, L. Kantserov, V. A. Kaplan, B. Kapliy, A. S. Katounine, S. Kayumov, F. Keener, P. T. Kekelidze, G. D. Khabarova, E. Khristachev, A. Kisielewski, B. Kittelmann, T. H. Kline, C. Klinkby, E. B. Klopov, N. V. Ko, B. R. Koffas, T. Kondratieva, N. V. Konovalov, S. P. Koperny, S. Korsmo, H. Kovalenko, S. Kowalski, T. Z. Krueger, K. Kramarenko, V. Kudin, L. G. Le Bihan, A-C. LeGeyt, B. C. Levterov, K. Lichard, P. Lindahl, A. Lisan, V. Lobastov, S. Loginov, A. Loh, C. W. Lokwitz, S. Long, M. C. Lucas, S. Lucotte, A. Luehring, F. Lundberg, B. Mackeprang, R. Maleev, V. P. Manara, A. Mandl, M. Martin, A. J. Martin, F. F. Mashinistov, R. Mayers, G. M. McFarlane, K. W. Mialkovski, V. Mills, B. M. Mindur, B. Mitsou, V. A. Mjornmark, U. Morozov, S. V. Morris, E. Mouraviev, S. V. Muir, A. M. Munar, A. Nadtochi, A. V. Nesterov, S. Y. Newcomer, F. M. Nikitin, N. Novgorodova, O. Novodvorski, E. G. Ogren, H. Oh, S. H. Oleshko, S. B. Olivito, D. Olszowska, J. Ostrowicz, W. Passmore, M. S. Patrichev, S. Penwell, J. Perez-Gomez, F. Peshekhonov, V. D. Petersen, T. C. Petti, R. Placci, A. Poblaguev, A. Pons, X. Price, M. J. Rohne, O. Reece, R. D. Reilly, M. B. Rembser, C. Romaniouk, A. Rousseau, D. Rust, D. Ryabov, Y. F. Ryjov, V. Soderberg, M. Savenkov, A. Saxon, J. Scandurra, M. Schegelsky, V. A. Scherzer, M. I. Schmidt, M. P. Schmitt, C. Sedykh, E. Seliverstov, D. M. Shin, T. Shmeleva, A. Sivoklokov, S. Smirnov, S. Yu. Smirnova, L. Smirnova, O. Smith, P. Sosnovtsev, V. V. Sprachmann, G. Subramania, S. Suchkov, S. I. Sulin, V. V. Szczygiel, R. R. Tartarelli, G. Thomson, E. Tikhomirov, V. O. Tipton, P. Ferrer, J. A. Valls Van Berg, R. Vassilakopoulos, V. I. Vassilieva, L. Wagner, P. Wall, R. Wang, C. Whittington, D. Williams, H. H. Zhelezko, A. Zhukov, K. CA ATLAS TRT Collaboration TI The ATLAS TRT end-cap detectors SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Particle tracking detectors; Transition radiation detectors; Large detector systems for particle and astroparticle physics ID TRANSITION RADIATION TRACKER; SEMICONDUCTOR TRACKER AB The ATLAS TRT end-cap is a tracking drift chamber using 245,760 individual tubular drift tubes. It is a part of the TRT tracker which consist of the barrel and two end-caps. The TRT end-caps cover the forward and backward pseudo-rapidity region 1.0 < vertical bar eta vertical bar < 2.0, while the TRT barrel central eta region vertical bar eta vertical bar < 1.0. The TRT system provides a combination of continuous tracking with many measurements in individual drift tubes ( or straws) and of electron identification based on transition radiation from fibers or foils interleaved between the straws themselves. Along with other two sub-systems, namely the Pixel detector and Semi Conductor Tracker (SCT), the TRT constitutes the ATLAS Inner Detector. This paper describes the recently completed and installed TRT end-cap detectors, their design, assembly, integration and the acceptance tests applied during the construction. C1 [Danilevich, E.; Fedin, O. L.; Katounine, S.; Khristachev, A.; Klopov, N. V.; Kovalenko, S.; Kudin, L. G.; Maleev, V. P.; Nadtochi, A. V.; Nesterov, S. Y.; Novodvorski, E. G.; Oleshko, S. B.; Patrichev, S.; Ryabov, Y. F.; Schegelsky, V. A.; Sedykh, E.; Seliverstov, D. M.] Petersburg Nucl Phys Inst, RU-188300 Gatchina, Russia. [Abat, E.; Arik, E.; Arik, M.; Becerici, N.; Beddall, A.; Beddall, A. J.; Bingul, A.; Cetin, S. A.; Dogan, O. B.; Istin, S.] Bogazici Univ, Dept Phys, Fac Sci, TR-80815 Bebek, Turkey. [Petti, R.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Anghinolfi, F.; Baron, S.; Bault, C.; Bendotti, J.; Blampey, H.; Garrido, M. Capeans; Sas, L. Cardiel; Catinaccio, A.; Danielsson, H.; David, E.; Di Girolamo, B.; Dittus, F.; Dixon, N.; Dobos, D.; Farthouat, P.; Froidevaux, D.; Goulette, M.; Grognuz, J.; Hauviller, C.; Hulsbergen, W.; Huta, W.; Koffas, T.; Krueger, K.; Le Bihan, A-C.; Lichard, P.; Lucas, S.; Mandl, M.; Passmore, M. S.; Perez-Gomez, F.; Petersen, T. C.; Placci, A.; Pons, X.; Price, M. J.; Rembser, C.; Ryjov, V.; Schmitt, C.; Sprachmann, G.] CERN, CH-1211 Geneva 23, Switzerland. [Bertelsen, H.; Dam, M.; Driouchi, C.; Hansen, F.; Hansen, J. B.; Hansen, J. D.; Hansen, P. H.; Klinkby, E. B.; Lindahl, A.; Mackeprang, R.] Univ Copenhagen, Niels Bohr Inst, DK-2100 Copenhagen, Denmark. [Bochenek, M.; Koperny, S.; Kowalski, T. Z.; Mindur, B.] AGH UST, FPACS, PL-30059 Krakow, Poland. [Banas, E.; Hajduk, Z.; Kisielewski, B.; Olszowska, J.; Ostrowicz, W.; Szczygiel, R. R.] Pol