FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Roy, B Perkins, JD Kaydanova, T Young, DL Taylor, M Miedaner, A Curtis, C Kleebe, HJ Readey, DW Ginley, DS AF Roy, B. Perkins, J. D. Kaydanova, T. Young, D. L. Taylor, M. Miedaner, A. Curtis, C. Kleebe, H. -J. Readey, D. W. Ginley, D. S. TI Preparation and characterization of sol-gel derived copper-strontium-oxide thin films SO THIN SOLID FILMS LA English DT Article DE sol-gel derived Cu2SrO2; p-type TCO; conductivity; seebeck coefficient ID WIDE-BAND-GAP; P-TYPE CONDUCTIVITY; ELECTRICAL-CONDUCTION; TRANSPARENT OXIDES; SRCU2O2; CUALO2; CUINO2 AB P-type transparent conductive oxides have potential applications in photovoltaics, transparent electronics, and organic optoclectronics. In this paper, results are presented on the synthesis of Cu2SrO2 thin films, a p-type transparent conducting oxide by a sol-gel route. Cu(II)methoxide and Sr-metal dissolved in anhydrous isopropanol were used as precursor for the sol preparation. For potassium (K) doping, K-acetate dissolved in anhydrous isopropanol was used as the precursor. Films were spin-coated onto substrates and partially pyrolysed in air at 225 degrees C. After partial pyrolization, a two stage annealing sequence was used to achieve the final film microstructure and composition. Although combinations of oxygen pressure, annealing time, and annealing temperature were used to obtain phase pure Cu2SrO2 thin films, X-ray diffraction consistently showed the presence Of Cu2O as a second phase with Cu2SrO2-the desired phase. Microstructural studies showed similar phase separation in the films and confirmed the microcrystalline nature. The best conductivities obtained for the undoped and 1% K-doped films were 2 x 10(-3) and 1.2 x 10(-2) S/cm, respectively. Both films showed a broad optical absorption edge in the visible range. (C) 2007 Elsevier B.V All rights reserved. C1 [Roy, B.; Kleebe, H. -J.; Readey, D. W.] Colorado Sch Mines, Dept Met & Mat Engn, Golden, CO 80401 USA. [Perkins, J. D.; Kaydanova, T.; Young, D. L.; Taylor, M.; Miedaner, A.; Curtis, C.; Ginley, D. S.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Roy, B (reprint author), Colorado Sch Mines, Dept Met & Mat Engn, 1500 Illinois St, Golden, CO 80401 USA. EM broy@nmt.edu RI Kleebe, Hans-Joachim/C-5709-2016 NR 22 TC 13 Z9 13 U1 4 U2 28 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD APR 30 PY 2008 VL 516 IS 12 BP 4093 EP 4101 DI 10.1016/j.tsf.2007.10.002 PG 9 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 290MC UT WOS:000255125900060 ER PT J AU Dabney, MS van Hest, MFAM Teplin, CW Arenkiel, SP Perkins, JD Ginley, DS AF Dabney, Matthew S. van Hest, Maikel F. A. M. Teplin, Charles W. Arenkiel, S. Phil Perkins, John D. Ginley, David S. TI Pulsed laser deposited Nb doped TiO2 as a transparent conducting oxide SO THIN SOLID FILMS LA English DT Article DE transparent conducting oxides; anatase; titanium dioxide; pulsed laser deposition; epitaxial ID OPTICAL-PROPERTIES; SINGLE-CRYSTAL; ANATASE TIO2; THIN-FILMS AB Nb doped TiO2 (Nb:TiO2) is a promising indium-free transparent conducting oxide. We have examined the growth of Nb:TiO2 thin films by pulsed laser deposition (PLD) on SrTiO3, LaAlO3, and fused silica. For < 004 > oriented anatase Nb:TiO2 films grown on SrTiO3 by PLD at 550 degrees C, the conductivity can be as high as 2500 S/cm. A nearly thickness independent conductivity for Nb:TiO2 demonstrates that the conductivity is a bulk property and not a substrate interface effect. In addition, Nb:TiO2 films deposited at room temperature were annealed at temperatures up to 750 degrees C in either vacuum or 1.3 X 10(-3) Pa O-2. For these films, conductivities as high as 3300 S/cm on SrTiO3 and 85 S/cm on LaAlO3 substrates were obtained for the highest temperature vacuum anneals, albeit with some loss in transparency. Published by Elsevier B.V. C1 [Dabney, Matthew S.; van Hest, Maikel F. A. M.; Teplin, Charles W.; Perkins, John D.; Ginley, David S.] Natl Renewable Energy Lab, Golden, CO USA. [Arenkiel, S. Phil] S Dakota Sch Mines & Technol, Rapid City, SD USA. RP Dabney, MS (reprint author), Natl Renewable Energy Lab, Golden, CO USA. EM matthew_dabney@nrel.gov NR 19 TC 42 Z9 44 U1 1 U2 30 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD APR 30 PY 2008 VL 516 IS 12 BP 4133 EP 4138 DI 10.1016/j.tsf.2007.10.093 PG 6 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 290MC UT WOS:000255125900066 ER PT J AU Kohli, S Theil, JA McCurdy, PR Dippo, PC Ahrenkiel, RK Rithner, CD Dorhout, PK AF Kohli, Sandeep Theil, Jeremy A. McCurdy, Patrick R. Dippo, Patricia C. Ahrenkiel, Richard K. Rithner, Christopher D. Dorhout, Peter K. TI Spectroscopic ellipsometry and photoluminescence measurements of as-deposited and annealed silicon rich oxynitride films SO THIN SOLID FILMS LA English DT Article DE silicon rich oxynitride; spectroscopic ellipsometry; photo luminescence ID OPTICAL-PROPERTIES; THIN-FILMS AB As-deposited and annealed amorphous SiOxNy/H (0.17 <= x <= 0.96; 0.07 <= y <= 0.27) films were characterized by spectroscopic ellipsometry and room temperature pbotoluminescence measurements. The refractive index of as-deposited silicon oxynitride films could be successfully varied between SiO2 and a-Si with increased silicon content. As-deposited films were annealed under inert conditions at 400-800 degrees C for 4 h. Annealing conditions were insufficient to nucleate silicon nanocrystals in the films. High temperature annealing facilitated the hydrogen diffusion out of the film. This led to the reduced thickness and increased refractive index of the silicon rich oxymnide film. A correlation was seen between the changes in the refractive index, optical band gap, E-04 (energy corresponding to an absorption coefficient of 10(4) cm(-1)) and Urbach Energy as a function of composition and annealing conditions. The influence of annealing conditions on the photoluminescence spectra of silicon rich oxynitride films has been investigated. The room temperature luminescence in annealed SiO0.96N0.27:H films was attributed to the formation of oxygen related defects in these films. In other films, the bonded hydrogen as well as silicon and nitrogen content, played an extremely important role in determining the influence of annealing conditions on the photoluminescence spectra. (C) 2007 Elsevier B.V. All rights reserved. C1 [Kohli, Sandeep; McCurdy, Patrick R.; Rithner, Christopher D.; Dorhout, Peter K.] Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA. [Theil, Jeremy A.] Philips Lumileds Lighting Co, LLC, San Jose, CA 95131 USA. [Dippo, Patricia C.; Ahrenkiel, Richard K.] Natl Renewable Energy Lab, Measurement & Characterizat Div, Golden, CO 80401 USA. [Ahrenkiel, Richard K.] Colorado Sch Mines, Dept Met & Mat Engn, Golden, CO 80401 USA. RP Kohli, S (reprint author), Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA. EM sandeep.kohli@colostate.edu NR 19 TC 3 Z9 3 U1 2 U2 12 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD APR 30 PY 2008 VL 516 IS 12 BP 4342 EP 4350 DI 10.1016/j.tsf.2007.12.119 PG 9 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 290MC UT WOS:000255125900102 ER PT J AU Whitaker, RW Mutschlecner, JP AF Whitaker, Rodney W. Mutschlecner, J. Paul TI A comparison of infrasound signals refracted from stratospheric and thermospheric altitudes SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID WINDS AB Over the last several years, a large number of ground-based infrasound arrays have been established for explosion monitoring as part of the International Monitoring System of the Comprehensive Nuclear Test Ban Treaty Organization. Results from these arrays have become valuable in understanding long-range infrasound propagation in the atmosphere and complement earlier data. Two types of signals are often observed for a given source: those refracted at stratospheric heights and at thermospheric heights. In this contribution we compare several characteristics of these two signal types including observed pressure amplitude, average travel velocity, bearing, and signal duration. For this study we use archival data from atmospheric nuclear explosions, high explosive chemical explosions on the surface, earthquakes with previously detected stratospheric signals, and earthquakes for which stratospheric signals were not detected. We show that the combination of stratospheric and thermospheric signals may provide independent estimates of wind propagation conditions and source characteristics. The observations of both signal types may increase the confidence level of an infrasound signal detection. C1 [Whitaker, Rodney W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Mutschlecner, J. Paul] Comforce Inc, Los Alamos, NM USA. RP Whitaker, RW (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 24 TC 15 Z9 15 U1 0 U2 1 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 APR 29 PY 2008 VL 113 IS D8 AR D08117 DI 10.1029/2007JD008852 PG 13 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 297CD UT WOS:000255593800001 ER PT J AU Chroneos, A Bracht, H Grimes, RW Uberuaga, BP AF Chroneos, A. Bracht, H. Grimes, R. W. Uberuaga, B. P. TI Vacancy-mediated dopant diffusion activation enthalpies for germanium SO APPLIED PHYSICS LETTERS LA English DT Article ID SELF-DIFFUSION; SILICON; GE; ENERGY; COPPER; BORON; SI AB Electronic structure calculations are used to predict the activation enthalpies of diffusion for a range of impurity atoms (aluminium, gallium, indium, silicon, tin, phosphorus, arsenic, and antimony) in germanium. Consistent with experimental studies, all the impurity atoms considered diffuse via their interaction with vacancies. Overall, the calculated diffusion activation enthalpies are in good agreement with the experimental results, with the exception of indium, where the most recent experimental study suggests a significantly higher activation enthalpy. Here, we predict that indium diffuses with an activation enthalpy of 2.79 eV, essentially the same as the value determined by early radiotracer studies. (C) 2008 American Institute of Physics. C1 [Chroneos, A.; Bracht, H.] Univ Munster, Inst Mat Phys, D-48149 Munster, Germany. [Grimes, R. W.] Univ London Imperial Coll Sci Technol & Med, Dept Mat, London SW7 2BP, England. [Uberuaga, B. P.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Chroneos, A (reprint author), Univ Munster, Inst Mat Phys, Wilhelm Klemm Str 10, D-48149 Munster, Germany. EM alexander.chroneos@imperial.ac.uk OI Chroneos, Alex/0000-0002-2558-495X NR 41 TC 105 Z9 105 U1 5 U2 27 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 28 PY 2008 VL 92 IS 17 AR 172103 DI 10.1063/1.2918842 PG 3 WC Physics, Applied SC Physics GA 296DP UT WOS:000255524000033 ER PT J AU Fang, JX Ding, BJ Song, XP Han, Y AF Fang, Jixiang Ding, Bingjun Song, Xiaoping Han, Yong TI How a silver dendritic mesocrystal converts to a single crystal SO APPLIED PHYSICS LETTERS LA English DT Article ID ORIENTED ATTACHMENT; NONCLASSICAL CRYSTALLIZATION; BIOMIMETIC MINERALIZATION; GROWTH; NANOSTRUCTURES; EVOLUTION; NANOPARTICLES; MECHANISMS; ORDER AB In this paper, we demonstrate how a silver dendrite transforms from mesocrystal into single crystal and the stability for a dendritic silver mesocrystal within a Sn/AgNO3 galvanic replacement reaction. Our findings provide the direct evidence and visible picture of the transformation from mesocrystal to single crystalline structure and further confirm the particle-mediated crystallization mechanism. At the initial stage of the transformation, there is a crystallographic fusion process, dominated by oriented attachment mechanism. Ostwald ripening also plays an important role in forming smooth surface and regular shape of the final nanocrystal. (c) 2008 American Institute of Physics. C1 [Fang, Jixiang; Ding, Bingjun; Song, Xiaoping] Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Sch Sci, Xian 710049, Shann Xi, Peoples R China. [Han, Yong] US DOE, IPRT, Ames, IA 50011 USA. [Han, Yong] US DOE, Ames Lab, Ames, IA 50011 USA. RP Song, XP (reprint author), Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Sch Sci, Xian 710049, Shann Xi, Peoples R China. EM xpsong@mail.xjtu.edu.cn RI Song, Xiaoping/E-7788-2010; Han, Yong/F-5701-2012; Fang, Jixiang/C-5981-2015 OI Han, Yong/0000-0001-5404-0911; NR 26 TC 29 Z9 29 U1 2 U2 36 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 28 PY 2008 VL 92 IS 17 AR 173120 DI 10.1063/1.2888770 PG 3 WC Physics, Applied SC Physics GA 296DP UT WOS:000255524000075 ER PT J AU Jeong, IK Lee, JK Heffner, RH AF Jeong, I. -K. Lee, J. K. Heffner, R. H. TI Local structural view on the polarization rotation in relaxor ferroelectric (1-x)Pb(Zn1/3Nb2/3)O-3-xPbTiO(3) SO APPLIED PHYSICS LETTERS LA English DT Article ID SINGLE-CRYSTAL; ELECTROMECHANICAL RESPONSE; PHASE-TRANSITION; DIFFRACTION; SCATTERING; PBTIO3 AB We performed comprehensive structural studies on local ionic displacements and medium-range ordering across a series of phase transitions in (1-x)Pb(Zn1/3Nb2/3)O-3-xPbTiO(3) (PZN-xPT) at 15 K by using neutron pair-distribution-function (PDF) and Rietveld analyses. PDF spectra clearly demonstrate that all phases of PZN-xPT have nearly identical ionic pair correlations on a length scale of xi similar to 15 A. At longer pair distances, however, PZN-xPT exhibits different pair correlations. This local- and medium-range structural information provides direct evidence that local polarizations do not rotate with long-range phase transitions, and an order-disorder type ordering of polar nanoregions determines the long-range polarization rotations in PZN-xPT. (c) 2008 American Institute of Physics. C1 [Jeong, I. -K.] Pusan Natl Univ, Res Ctr Dielect & Adv Matter Phys, Pusan 609735, South Korea. [Jeong, I. -K.] Pusan Natl Univ, Dept Phys, Pusan 609735, South Korea. [Lee, J. K.] Univ Pittsburgh, Pittsburgh, PA 15261 USA. [Jeong, I. -K.; Heffner, R. H.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Jeong, IK (reprint author), Pusan Natl Univ, Res Ctr Dielect & Adv Matter Phys, Pusan 609735, South Korea. EM Jeong@pusan.ac.kr NR 28 TC 21 Z9 21 U1 1 U2 16 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 28 PY 2008 VL 92 IS 17 AR 172911 DI 10.1063/1.2919070 PG 3 WC Physics, Applied SC Physics GA 296DP UT WOS:000255524000054 ER PT J AU Kinion, D Clarke, J AF Kinion, D. Clarke, John TI Microstrip superconducting quantum interference device radio-frequency amplifier: Scattering parameters and input coupling SO APPLIED PHYSICS LETTERS LA English DT Article ID DC SQUID; NOISE AB The forward scattering parameters of an amplifier based on a dc superconducting quantum interference device are directly measured at 4.2 K as functions of the applied magnetic flux. These parameters are equivalent to the real and imaginary components of the input impedance and forward gain of the amplifier. The results can be described using an equivalent circuit model of the fundamental resonance of the microstrip resonator which forms the input of the amplifier. The circuit model is used to determine the series capacitance required for critical coupling of the microstrip to the input circuit. (C) 2008 American Institute of Physics. C1 [Kinion, D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Kinion, D (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM kinion1@llnl.gov NR 12 TC 21 Z9 21 U1 0 U2 4 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 APR 28 PY 2008 VL 92 IS 17 AR 172503 DI 10.1063/1.2902173 PG 3 WC Physics, Applied SC Physics GA 296DP UT WOS:000255524000041 ER PT J AU Rangan, S Bersch, E Bartynski, RA Garfunkel, E Vescovo, E AF Rangan, Sylvie Bersch, Eric Bartynski, Robert Allen Garfunkel, Eric Vescovo, Elio TI GeO(x) interface layer reduction upon Al-gate deposition on a HfO(2)/GeO(x)/Ge(001) stack SO APPLIED PHYSICS LETTERS LA English DT Article AB The metallization of HfO(2)/Ge by Al at room temperature was studied using photoemission and inverse photoemission. Upon deposition, Al reduces the GeO(x) interfacial layer between Ge and HfO(2), and a thin Al(2)O(3) layer is formed at the Al/HfO(2) interface. The band alignment across the Al/HfO(2)/Ge stacks is also addressed. (C) 2008 American Institute of Physics. C1 [Rangan, Sylvie] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Garfunkel, Eric] Rutgers State Univ, Surface Modificat Lab, Piscataway, NJ 08854 USA. [Garfunkel, Eric] Rutgers State Univ, Dept Chem & Biol Chem, Piscataway, NJ 08854 USA. [Vescovo, Elio] Brookhaven Natl Lab, Natl Synchrotron Light Source Dept, Upton, NY 11973 USA. RP Rangan, S (reprint author), Rutgers State Univ, Dept Phys & Astron, 136 Frelinghuysen Rd, Piscataway, NJ 08854 USA. EM rangan@physics.rutgers.edu RI Rangan, Sylvie/H-6522-2013 NR 13 TC 13 Z9 13 U1 0 U2 4 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 APR 28 PY 2008 VL 92 IS 17 AR 172906 DI 10.1063/1.2917480 PG 3 WC Physics, Applied SC Physics GA 296DP UT WOS:000255524000049 ER PT J AU Sheoran, M Kim, DS Rohatgi, A Dekkers, HFW Beaucarne, G Young, M Asher, S AF Sheoran, Manav Kim, Dong Seop Rohatgi, Ajeet Dekkers, H. F. W. Beaucarne, G. Young, Matthew Asher, Sally TI Hydrogen diffusion in silicon from plasma-enhanced chemical vapor deposited silicon nitride film at high temperature SO APPLIED PHYSICS LETTERS LA English DT Article ID SOLAR-CELLS; SI AB The stable hydrogen isotope deuterium (D), which is released during the annealing of deuterated silicon nitride films, diffuses through the crystalline silicon and is captured by a thin, amorphous layer of silicon sputtered on the rear surface. We report on the measurement of the concentration of "penetrated" D by secondary ion mass spectrometry to monitor the flux of D diffusing through single-crystalline silicon wafers. The penetrated D content in the trapping layer increases with the annealing time. However, the flux of D injected into the silicon from the silicon nitride layer decreases as annealing time increases. (C) 2008 American Institute of Physics. C1 [Sheoran, Manav; Kim, Dong Seop; Rohatgi, Ajeet] Univ Ctr Excellence Photovoltaics Res & Educ, Sch Elect & Comp Engn, Georgia Inst Technol, Atlanta, GA 30332 USA. [Dekkers, H. F. W.; Beaucarne, G.] IMEC, Louvain, Belgium. [Young, Matthew; Asher, Sally] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Sheoran, Manav] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA. RP Sheoran, M (reprint author), Univ Ctr Excellence Photovoltaics Res & Educ, Sch Elect & Comp Engn, Georgia Inst Technol, Atlanta, GA 30332 USA. EM dongskim@ece.gatech.edu NR 17 TC 10 Z9 10 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 28 PY 2008 VL 92 IS 17 AR 172107 DI 10.1063/1.2917467 PG 3 WC Physics, Applied SC Physics GA 296DP UT WOS:000255524000037 ER PT J AU Mangelsen, E Kilian, J Berendzen, KW Kolukisaoglu, UH Harter, K Jansson, C Wanke, D AF Mangelsen, Elke Kilian, Joachim Berendzen, Kenneth W. Kolukisaoglu, Uener H. Harter, Klaus Jansson, Christer Wanke, Dierk TI Phylogenetic and comparative gene expression analysis of barley (Hordeum vulgare) WRKY transcription factor family reveals putatively retained functions between monocots and dicots SO BMC GENOMICS LA English DT Article ID DNA-BINDING PROTEINS; ALEURONE CELLS; DEFENSE RESPONSE; LEAF SENESCENCE; PLANT GENOMICS; ARABIDOPSIS; RICE; SUPERFAMILY; SEED; IDENTIFICATION AB Background: WRKY proteins belong to the WRKY-GCM1 superfamily of zinc finger transcription factors that have been subject to a large plant-specific diversification. For the cereal crop barley (Hordeum vulgare), three different WRKY proteins have been characterized so far as regulators in sucrose signaling, pathogen defense, and in response to cold and drought. However, their phylogenetic relationship remained unresolved. Results: In this study, we used available sequence information to identify a minimum number of 45 barley WRKY transcription factor (HvWRKY) genes. According to their structural features, the HvWRKY factors were classified into the previously defined polyphyletic WRKY subgroups 1 to 3. Furthermore, we could assign putative orthologs of the HvWRKY proteins in Arabidopsis and rice. While in most cases clades of orthologous proteins were formed within each group or subgroup, other clades were composed of paralogous proteins for the grasses and Arabidopsis only, which is indicative of specific gene radiation events. To gain insight into their putative functions, we examined expression profiles of WRKY genes from publicly available microarray data resources and found group specific expression patterns. While putative orthologs of the HvWRKY transcription factors have been inferred from phylogenetic sequence analysis, we performed a comparative expression analysis of WRKY genes in Arabidopsis and barley. Indeed, highly correlative expression profiles were found between some of the putative orthologs. Conclusion: HvWRKY genes have not only undergone radiation in monocot or dicot species, but exhibit evolutionary traits specific to grasses. HvWRKY proteins exhibited not only sequence similarities between orthologs with Arabidopsis, but also relatedness in their expression patterns. This correlative expression is indicative for a putative conserved function of related WRKY proteins in monocot and dicot species. C1 [Kilian, Joachim; Berendzen, Kenneth W.; Harter, Klaus; Wanke, Dierk] Univ Tubingen, Ctr Plant Mol Biol, D-72076 Tubingen, Germany. [Mangelsen, Elke; Jansson, Christer] Swedish Univ Agr Sci, Dept Plant Biol & Forest Genet, SE-75007 Uppsala, Sweden. [Kolukisaoglu, Uener H.] CELISCA, D-18119 Rostock, Germany. [Jansson, Christer] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Wanke, D (reprint author), Univ Tubingen, Ctr Plant Mol Biol, Auf Morgenstelle 1, D-72076 Tubingen, Germany. EM elke.mangelsen@vbsg.slu.se; joachim.kilian@zmbp.uni-tuebingen.de; kenneth.berendzen@zmbp.uni-tuebingen.de; uener.kolukisaoglu@celisca.de; klaus.harter@zmbp.uni-tuebingen.de; cgjansson@lbl.gov; dierk.wanke@zmbp.unituebingen.de RI Kolukisaoglu, Uener/J-8831-2014; OI Kolukisaoglu, Uener/0000-0002-8656-5963; Berendzen, Kenneth/0000-0001-9870-6164 NR 44 TC 86 Z9 97 U1 4 U2 41 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2164 J9 BMC GENOMICS JI BMC Genomics PD APR 28 PY 2008 VL 9 AR 194 DI 10.1186/1471-2164-9-194 PG 17 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA 308OA UT WOS:000256398700002 PM 18442363 ER PT J AU Tok, JBH Fischer, NO AF Tok, Jeffrey B. -H. Fischer, Nicholas O. TI Single microbead SELEX for efficient ssDNA aptamer generation against botulinum neurotoxin SO CHEMICAL COMMUNICATIONS LA English DT Article ID RNA; MOLECULES; SELECTION; EVOLUTION; BINDING; LIGANDS AB An efficient and easy-to-execute single microbead SELEX approach is developed to generate high affinity ssDNA aptamers against botulinum neurotoxin. C1 [Tok, Jeffrey B. -H.; Fischer, Nicholas O.] Lawrence Livermore Natl Lab, Chem Mat Earth & Life Sci Directorate, Livermore, CA 94550 USA. RP Tok, JBH (reprint author), Lawrence Livermore Natl Lab, Chem Mat Earth & Life Sci Directorate, 7000 E Ave, Livermore, CA 94550 USA. EM tok2@llnl.gov NR 13 TC 53 Z9 54 U1 1 U2 24 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PD APR 28 PY 2008 IS 16 BP 1883 EP 1885 DI 10.1039/b717936g PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 286DG UT WOS:000254825200012 PM 18401506 ER PT J AU Jensen, RA Kelley, RF Lee, SJ Wasielewski, MR Hupp, JT Tiede, DM AF Jensen, Rebecca A. Kelley, Richard F. Lee, Suk Joong Wasielewski, Michael R. Hupp, Joseph T. Tiede, David M. TI Fast energy transfer within a self-assembled cyclic porphyrin tetramer SO CHEMICAL COMMUNICATIONS LA English DT Article ID LIGHT-HARVESTING COMPLEX; SPECTROSCOPIC PROPERTIES; ANNIHILATION; TRANSPORT; LADDERS; SQUARE; FILMS; CELL AB The structure of a cyclic self-assembled tetramer of an asymmetric meso-ethynylpyridyl-functionalized Zn(II)-porphyrin was established by solution-phase X-ray scattering and diffraction; femtosecond transient absorption and anisotropy spectroscopies were used to ( a) observe rapid energy transfer ( 3.8 ps(-1)) between porphyrin subunits and ( b) establish that the transfer occurs between adjacent units. C1 [Jensen, Rebecca A.; Kelley, Richard F.; Lee, Suk Joong; Wasielewski, Michael R.; Hupp, Joseph T.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Jensen, Rebecca A.; Kelley, Richard F.; Lee, Suk Joong; Wasielewski, Michael R.; Hupp, Joseph T.; Tiede, David M.] Northwestern Univ, Argonne Northwestern Solar Energy Res ANSER Ctr, Evanston, IL 60208 USA. [Tiede, David M.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Wasielewski, MR (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM m-wasielewski@northwestern.edu; j-hupp@northwestern.edu RI Hupp, Joseph/K-8844-2012 OI Hupp, Joseph/0000-0003-3982-9812 NR 27 TC 26 Z9 26 U1 0 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PD APR 28 PY 2008 IS 16 BP 1886 EP 1888 DI 10.1039/b718628b PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 286DG UT WOS:000254825200013 PM 18401507 ER PT J AU An, JM Califano, M Franceschetti, A Zunger, A AF An, Joonhee M. Califano, Marco Franceschetti, Alberto Zunger, Alex TI Excited-state relaxation in PbSe quantum dots SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID SEMICONDUCTOR NANOCRYSTALS; ELECTRONIC-STRUCTURE; ENERGY RELAXATION; CARRIER DYNAMICS; SPECTROSCOPY; TRANSITIONS; GENERATION; SCATTERING; PATHWAYS; CAPTURE AB In solids the phonon-assisted, nonradiative decay from high-energy electronic excited states to low-energy electronic excited states is picosecond fast. It was hoped that electron and hole relaxation could be slowed down in quantum dots, due to the unavailability of phonons energy matched to the large energy-level spacings ("phonon-bottleneck"). However, excited-state relaxation was observed to be rather fast (<= 1 ps) in InP, CdSe, and ZnO dots, and explained by an efficient Auger mechanism, whereby the excess energy of electrons is nonradiatively transferred to holes, which can then rapidly decay by phonon emission, by virtue of the densely spaced valence-band levels. The recent emergence of PbSe as a novel quantum-dot material has rekindled the hope for a slow down of excited-state relaxation because hole relaxation was deemed to be ineffective on account of the widely spaced hole levels. The assumption of sparse hole energy levels in PbSe was based on an effective-mass argument based on the light effective mass of the hole. Surprisingly, fast intraband relaxation times of 1-7 ps were observed in PbSe quantum dots and have been considered contradictory with the Auger cooling mechanism because of the assumed sparsity of the hole energy levels. Our pseudopotential calculations, however, do not support the scenario of sparse hole levels in PbSe: Because of the existence of three valence-band maxima in the bulk PbSe band structure, hole energy levels are densely spaced, in contradiction with simple effective-mass models. The remaining question is whether the Auger decay channel is sufficiently fast to account for the fast intraband relaxation. Using the atomistic pseudopotential wave functions of Pb2046Se2117 and Pb260Se249 quantum dots, we explicitly calculated the electron-hole Coulomb integrals and the P -> S electron Auger relaxation rate. We find that the Auger mechanism can explain the experimentally observed P -> S intraband decay time scale without the need to invoke any exotic relaxation mechanisms. (c) 2008 American Institute of Physics. C1 [An, Joonhee M.; Franceschetti, Alberto; Zunger, Alex] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Califano, Marco] Univ Leeds, Sch Elect & Elect Engn, Inst Microwaves & Photon, Leeds LS2 9JT, W Yorkshire, England. RP An, JM (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM alberto_franceschetti@nrel.gov; alex_zunger@nrel.gov RI Zunger, Alex/A-6733-2013 NR 42 TC 34 Z9 35 U1 1 U2 24 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 28 PY 2008 VL 128 IS 16 AR 164720 DI 10.1063/1.2901022 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 295DX UT WOS:000255456300081 PM 18447492 ER PT J AU Casanova, D Rhee, YM Head-Gordon, M AF Casanova, David Rhee, Young Min Head-Gordon, Martin TI Quasidegenerate scaled opposite spin second order perturbation corrections to single excitation configuration interaction SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; EXCITED-STATES; BASIS-SETS; ELECTRONIC-TRANSITIONS; CORRELATION ENERGIES; ABSORPTION SPECTRUM; QUANTUM-CHEMISTRY; PARA BENZOQUINONE; CHLORINE NITRATE; AB-INITIO AB Scaled opposite spin (SOS) second order perturbative corrections to single excitation configuration interaction (CIS) are extended to correctly treat quasidegeneracies between excited states. Two viable methods, termed as SOS-CIS(D(0)) and SOS-CIS(D(1)), are defined, implemented, and tested. Each involves one empirical parameter (plus a second for the SOS-MP2 ground state), has computational cost that scales with the fourth power of molecule size, and has storage requirements that are cubic, with only quantities of the rank of single excitations produced and stored during iterations. Tests on a set of low-lying adiabatic valence excitation energies and vertical Rydberg excitations of organic and inorganic molecules show that the empirical parameter can be acceptably transferred from the corresponding nondegenerate perturbation theories without any further fitting. Further tests on higher excited states show that the new methods correctly perform for surface crossings for which nondegenerate approaches fail. Numerical results show that SOS-CIS(D(0)) appears to treat Rydberg excitations in a more balanced way than SOS-CIS(D(1)) and is, therefore, likely to be the preferred approach. It should be useful for exploring excited state geometries, transition structures, and conical intersections for states of medium to large organic molecules that are dominated by single excitations. (c) 2008 American Institute of Physics. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Casanova, D (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM davidcasanova@berkeley.edu RI Rhee, Young/E-9940-2012; Casanova, David/F-9752-2011 OI Casanova, David/0000-0002-8893-7089 NR 65 TC 30 Z9 30 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 28 PY 2008 VL 128 IS 16 AR 164106 DI 10.1063/1.2907724 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 295DX UT WOS:000255456300009 PM 18447420 ER PT J AU Chang, DT Schenter, GK Garrett, BC AF Chang, Daniel T. Schenter, Gregory K. Garrett, Bruce C. TI Self-consistent polarization neglect of diatomic differential overlap: Application to water clusters SO JOURNAL OF CHEMICAL PHYSICS LA English DT Review ID TRANSFERABLE INTERACTION MODELS; MOLECULAR-ORBITAL THEORY; DIRECT DYNAMICS CALCULATIONS; LEVEL DIRECT DYNAMICS; VALENCE-BOND MODEL; MECHANICAL/MOLECULAR MECHANICAL METHODS; SCALING SEMIEMPIRICAL METHODS; HYDROGEN-TRANSFER REACTION; EFFECTIVE PAIR POTENTIALS; AB-INITIO CALCULATIONS AB Semiempirical self-consistent field (SCF) methods based on the neglect of diatomic differential overlap (NDDO) formalism have the ability to treat the formation and breaking of chemical bonds but have been found to poorly describe hydrogen bonding and weak electrostatic complexes. In contrast, most empirical potentials are not able to describe bond breaking and formation but have the ability to add missing elements of hydrogen bonding by using classical electrostatic interactions. We present a new method which combines aspects of both NDDO-based SCF techniques and classical descriptions of polarization to describe the diffuse nature of the electronic wavefunction in a self-consistent manner. We develop the "self-consistent polarization neglect of diatomic differential overlap" (SCP-NDDO) theory with the additional description of molecular dispersion developed as a second-order perturbation theory expression. The current study seeks to model water-water interactions as a test case. To this end, we have parametrized the method to accurate ab initio complete basis set limit estimates of small water cluster binding energies of Xantheas and co-workers [J. Chem. Phys. 116, 1493 (2002); 120, 823 (2004)]. Overall agreement with the ab initio binding energies (n=2-6, and 8) is achieved with a rms error of 0.19 kcal/mol. We achieve noticeable improvements in the structure, vibrational frequencies, and energetic predictions of water clusters (n <= 21) relative to standard NDDO-based methods. (c) 2008 American Institute of Physics. C1 [Chang, Daniel T.; Schenter, Gregory K.; Garrett, Bruce C.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. RP Chang, DT (reprint author), US EPA, Off Res & Dev, Las Vegas, NV 89119 USA. EM greg.schenter@pnl.gov RI Garrett, Bruce/F-8516-2011; Schenter, Gregory/I-7655-2014 OI Schenter, Gregory/0000-0001-5444-5484 NR 143 TC 21 Z9 21 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 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 28 PY 2008 VL 128 IS 16 AR 164111 DI 10.1063/1.2905230 PG 19 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 295DX UT WOS:000255456300014 PM 18447425 ER PT J AU Knorowski, CD Anderson, JA Travesset, A AF Knorowski, C. D. Anderson, J. A. Travesset, A. TI Self-assembled ordered polymer nanocomposites directed by attractive particles SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID BLOCK; COPOLYMERS; NANOPARTICLES; SIMULATIONS AB We theoretically investigate general conditions under which an inorganic phase can direct the self-assembly of an ordered polymer nanocomposite. For this purpose, we consider a solution of triblock copolymers forming a hexagonal phase of micelles and investigate the effect of adding attractive particles. We show that if the triblock is functionalized at its ends by attaching groups with specific affinity for the particles, thus effectively becoming a pentablock, the particles direct the self-assembly of the system into phases where both the polymers and the particles exhibit mesoscopic order. Different lamellar and gyroid phases (both with Ia (3) over bard and I4(1)32 space symmetries) are presented in detail. Our results show that functionalization is a very powerful route for directing self-assembly of polymer nanocomposites. We briefly discuss the connections with recent theoretical and experimental results in diblock melts with nanoparticles as well as for problems where polymers are used to template the growth of an inorganic phase in solution. (c) 2008 American Institute of Physics. C1 [Knorowski, C. D.; Anderson, J. A.; Travesset, A.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Knorowski, C. D.; Anderson, J. A.; Travesset, A.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Knorowski, C. D.] Virginia Tech, Dept Phys, Blacksburg, VA 24061 USA. RP Knorowski, CD (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM trvsst@ameslab.gov RI Anderson, Joshua/H-4262-2011 NR 16 TC 15 Z9 15 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 APR 28 PY 2008 VL 128 IS 16 AR 164903 DI 10.1063/1.2907744 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 295DX UT WOS:000255456300085 PM 18447496 ER PT J AU Nakata, M Braams, BJ Fujisawa, K Fukuda, M Percus, JK Yamashita, M Zhao, Z AF Nakata, Maho Braams, Bastiaan J. Fujisawa, Katsuki Fukuda, Mituhiro Percus, Jerome K. Yamashita, Makoto Zhao, Zhengji TI Variational calculation of second-order reduced density matrices by strong N-representability conditions and an accurate semidefinite programming solver SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-ORBITAL METHODS; GAUSSIAN EXPANSIONS; LOWER-ORDER; ALGORITHM; EQUATION; SYSTEMS; TERMS; CONVERGENCE; ATOMS AB The reduced density matrix (RDM) method, which is a variational calculation based on the second-order reduced density matrix, is applied to the ground state energies and the dipole moments for 57 different states of atoms, molecules, and to the ground state energies and the elements of 2-RDM for the Hubbard model. We explore the well-known N-representability conditions (P, Q, and G) together with the more recent and much stronger T1 and T2(') conditions. T2(') condition was recently rederived and it implies T2 condition. Using these N-representability conditions, we can usually calculate correlation energies in percentage ranging from 100% to 101%, whose accuracy is similar to CCSD(T) and even better for high spin states or anion systems where CCSD(T) fails. Highly accurate calculations are carried out by handling equality constraints and/or developing multiple precision arithmetic in the semidefinite programming (SDP) solver. Results show that handling equality constraints correctly improves the accuracy from 0.1 to 0.6 mhartree. Additionally, improvements by replacing T2 condition with T2(') condition are typically of 0.1-0.5 mhartree. The newly developed multiple precision arithmetic version of SDP solver calculates extraordinary accurate energies for the one dimensional Hubbard model and Be atom. It gives at least 16 significant digits for energies, where double precision calculations gives only two to eight digits. It also provides physically meaningful results for the Hubbard model in the high correlation limit.(c) 2008 American Institute of Physics. C1 [Nakata, Maho] RIKEN, Adv Ctr Comp & Commun, Wako, Saitama 3510198, Japan. [Braams, Bastiaan J.] Emory Univ, Dept Chem, Atlanta, GA 30322 USA. [Braams, Bastiaan J.] Emory Univ, Emerson Ctr Sci Computat, Atlanta, GA 30322 USA. [Fujisawa, Katsuki] Chuo Univ, Dept Ind & Syst Engn, Bunkyo Ku, Tokyo 1128551, Japan. [Fukuda, Mituhiro] Tokyo Inst Technol, Global Edge Inst, Meguro Ku, Tokyo 1528550, Japan. [Percus, Jerome K.] NYU, Courant Inst Math Sci, Dept Phys, New York, NY 10012 USA. [Percus, Jerome K.] NYU, Courant Inst Math Sci, Dept Math, New York, NY 10012 USA. [Yamashita, Makoto] Kanagawa Univ, Dept Informat Syst Creat, Kanagawa Ku, Kanagawa 2218686, Japan. [Zhao, Zhengji] Lawrence Berkeley Natl Lab, Natl Energy Res Sci Comp Ctr, Berkeley, CA 94720 USA. RP Nakata, M (reprint author), RIKEN, Adv Ctr Comp & Commun, 2-1 Hirosawa, Wako, Saitama 3510198, Japan. EM maho@riken.jp RI Braams, Bastiaan/E-7687-2011; Yamashita, Makoto/C-1330-2015; Fukuda, Mituhiro/C-3411-2015 OI Braams, Bastiaan/0000-0003-4086-9969; Yamashita, Makoto/0000-0002-8409-036X; Fukuda, Mituhiro/0000-0002-2280-6190 NR 71 TC 41 Z9 41 U1 1 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 28 PY 2008 VL 128 IS 16 AR 164113 DI 10.1063/1.2911696 PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 295DX UT WOS:000255456300016 PM 18447427 ER PT J AU Hull, LC Schafer, AL AF Hull, Laurence C. Schafer, Annette L. TI Accelerated transport of Sr-90 following a release of high ionic strength solution in vadose zone sediments SO JOURNAL OF CONTAMINANT HYDROLOGY LA English DT Article DE strontium; cation exchange; radioactive waste; reactive transport ID STRONTIUM DISTRIBUTION COEFFICIENTS; SORPTION; AQUIFER; EQUILIBRIA; MIGRATION; CARBONATE; EXCHANGE; CALCITE; CESIUM; CATION AB Numerical simulation of cation exchange and mineral precipitation/dissolution reactions using the multiphase reactive geochemical transport code TOUGHREACT has provided important insight into the distribution of Sr-90 among layers of geologic strata in a complex vadose zone at the U. S. Department of Energy's Idaho National Laboratory. During a transfer operation in November 1972, 70.4 m(3) of acidic, high ionic strength liquid containing 15,900 Ci of Sr-90 was released over five days into alluvial gravels 137 in above the Snake River Plain Aquifer. Sampling data from perched water zones 33 in below the release contain very high levels of Sr-90 as do soil samples obtained nearer the point of release. Use of traditional simulation approaches using laboratory-measured constant partitioning coefficients (K-d) cannot simultaneously explain perched water and soil concentrations. To address the discrepancy, a reactive transport approach was adopted to include competitive cation exchange, dissolution/ precipitation of calcite, carbon dioxide gas production and transport, and gibbsite precipitation. Simulation results using this model suggest that some of the Sr-90 could have been transported very rapidly immediately after the release with the acceleration facilitated by competition for cation exchange sites with high sodium concentrations in the released liquid and calcium dissolved from calcite, and to a lesser extent by formation of aqueous complexes with nitrate. Once the leading edge of the liquid assemblage was flushed from the alluvium, the mobility of the remaining Sr-90 decreased significantly in the absence of the competing cations. Calculations indicate that there should be a net increase in calcite, suggesting that Sr-90 could be entrained in the mineral lattice, but insufficient field data exist for confirmation. Sensitivity studies show that the cation exchange selectivity coefficients were the most sensitive individual parameters determining the Sr-90 distribution. However, the most sensitive overall quantity was the total ion exchange capacity which is a function of the moles of exchange sites per volume of pore water, the cation exchange capacity, and the total volume wetted by the infiltrating solution. In contrast, the future mobility of Sr-90 was found to be relatively insensitive to the normal range in the composition of influxing precipitation and anthropogenic waters. Published by Elsevier B.V. C1 [Hull, Laurence C.; Schafer, Annette L.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Hull, LC (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM laurence.hull@inl.gov; annette.schafer@inl.gov NR 45 TC 8 Z9 8 U1 2 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-7722 J9 J CONTAM HYDROL JI J. Contam. Hydrol. PD APR 28 PY 2008 VL 97 IS 3-4 BP 135 EP 157 DI 10.1016/j.jconhyd.2008.02.001 PG 23 WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources SC Environmental Sciences & Ecology; Geology; Water Resources GA 304FA UT WOS:000256094200004 PM 18378041 ER PT J AU Colgan, J Huetz, A Reddish, TJ Pindzola, MS AF Colgan, J. Huetz, A. Reddish, T. J. Pindzola, M. S. TI Internuclear separation dependence of the angular distributions from photoionization of H(2)(+) SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID MOLECULE AB Recent experimental and theoretical works examining the double photoionization of H(2) have uncovered surprising changes in the resulting fully differential cross sections as the kinetic energy released to the outgoing protons is varied. In this work, a complementary study is made of the angular distributions arising from the photoionization of H(2)(+) at various internuclear separations R. Different internuclear separations correspond to different amounts of kinetic energy released to the exploding protons. We find that the angular distributions for the sigma(g) --> pi(u) transition in H(2)(+) are relatively insensitive to changes in R, but that the angular distributions for the sigma(g) --> pi(u) transition display dramatic variations with R. We investigate the underlying mechanisms of these phenomena, and explore the implications of these findings for the double photoionization of H(2). C1 [Colgan, J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Huetz, A.] Univ Paris 11, CNRS, UMR8624, Lab Interact Rayonnement Avec Mat X, F-91405 Orsay, France. [Reddish, T. J.] Univ Windsor, Dept Phys, Windsor, ON N9B 3P4, Canada. [Pindzola, M. S.] Auburn Univ, Dept Phys, Auburn, AL 36849 USA. RP Colgan, J (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. OI Colgan, James/0000-0003-1045-3858 NR 17 TC 8 Z9 8 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-4075 J9 J PHYS B-AT MOL OPT JI J. Phys. B-At. Mol. Opt. Phys. PD APR 28 PY 2008 VL 41 IS 8 AR 085202 DI 10.1088/0953-4075/41/8/085202 PG 6 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 285LT UT WOS:000254779000018 ER PT J AU Singh, R Smirnova, E Taylor, AJ O'Hara, JF Zhang, WL AF Singh, Ranjan Smirnova, Evgenya Taylor, Antoinette J. O'Hara, John F. Zhang, Weili TI Optically thin terahertz metamaterials SO OPTICS EXPRESS LA English DT Article ID SPLIT-RING RESONATORS; INDEX METAMATERIALS; MAGNETIC RESPONSE; TRANSMISSION; THICKNESS AB Resonant properties of optically thin metamaterials are studied by terahertz time-domain spectroscopy. Both the lower energy inductor-capacitor (LC) and the higher energy dipole resonances of the planar double split-ring resonators (SRRs) exhibit characteristic evolution with various sub-skin-depth thicknesses of the constituent Pb film. The signature of the LC resonance begins to emerge at a critical thickness near 0.15 skin depth. The resonances reveal a characteristic enhancement; they are strengthened remarkably with increasing SRR thicknesses at sub-skin-depth level and then gradually saturate beyond the skin depth. (C) 2008 Optical Society of America. C1 [Singh, Ranjan; Zhang, Weili] Oklahoma State Univ, Sch Elect & Comp Engn, Stillwater, OK 74078 USA. [Smirnova, Evgenya] Los Alamos Natl Lab, ISR 6, Los Alamos, NM 87545 USA. [Taylor, Antoinette J.; O'Hara, John F.] Los Alamos Natl Lab, MPA CINT, Los Alamos, NM 87545 USA. RP Zhang, WL (reprint author), Oklahoma State Univ, Sch Elect & Comp Engn, Stillwater, OK 74078 USA. EM weili.zhang@okstate.edu RI Singh, Ranjan/B-4091-2010; Zhang, Weili/C-5416-2011; OI Singh, Ranjan/0000-0001-8068-7428; Zhang, Weili/0000-0002-8591-0200; Simakov, Evgenya/0000-0002-7483-1152 NR 25 TC 78 Z9 79 U1 3 U2 30 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD APR 28 PY 2008 VL 16 IS 9 BP 6537 EP 6543 DI 10.1364/OE.16.006537 PG 7 WC Optics SC Optics GA 298CC UT WOS:000255663000062 PM 18545357 ER PT J AU Liu, C Zhang, S AF Liu, C. Zhang, S. TI Study of singular radius and surface boundary constraints in refractive beam shaper design SO OPTICS EXPRESS LA English DT Article ID LASER; SYSTEM; IRRADIANCE; PROFILES AB This paper presents analysis of important issues associated with the design of refractive laser beam shaping systems. The concept of "singular radius" is introduced along with solutions to minimize its adverse effect on shaper performance. In addition, the surface boundary constraint is discussed in detail. This study provides useful guidelines to circumvent possible design errors that would degrade the shaper quality or add undesired complication to the system. (C) 2008 Optical Society of America. C1 [Liu, C.; Zhang, S.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Liu, C.] Peking Univ, MOE Key Lab Heavy Ion Phys, Inst Heavy Ion Phys, Beijing 100871, Peoples R China. RP Zhang, S (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. EM shukui@jlab.org NR 11 TC 10 Z9 11 U1 0 U2 2 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD APR 28 PY 2008 VL 16 IS 9 BP 6675 EP 6682 DI 10.1364/OE.16.006675 PG 8 WC Optics SC Optics GA 298CC UT WOS:000255663000076 PM 18545371 ER PT J AU Boore, JL Fuerstenberg, SI AF Boore, Jeffrey L. Fuerstenberg, Susan I. TI Beyond linear sequence comparisons: the use of genome-level characters for phylogenetic reconstruction SO PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES LA English DT Article DE genome; evolution; phylogeny; phylogenetically inferred groups; genome-level characters; gene family ID MITOCHONDRIAL GENOME; GENETIC-CODES; EVOLUTION; TREES; DNA; INSERTIONS; INFERENCE; INDICATE; ANNELIDA; ELEMENTS AB The first whole genomes to be compared for phylogenetic inference were those of mitochondria, which provided the first sets of genome-level characters for phylogenetic reconstruction. Most powerful among these characters has been the comparisons of the relative arrangements of genes, which has convincingly resolved numerous branch points, including those that had remained recalcitrant even to very large molecular sequence comparisons. Now the world faces a tsunami of complete nuclear genome sequences. In addition to the tremendous amount of DNA sequence that is becoming available for comparison, there is also a potential for many more genome-level characters to be developed, including the relative positions of introns, the domain structures of proteins, gene family membership, the presence of particular biochemical pathways, aspects of DNA replication or transcription, and many others. These characters can be especially convincing owing to their low likelihood of reverting to a primitive condition or occurring independently in separate lineages, thereby reducing the occurrence of homoplasy. The comparisons of organelle genomes pioneered the way for using such features for phylogenetic reconstructions, and it is almost certainly true, as ever more genomic sequence becomes available, that further use of genome-level characters will play a big role in outlining the relationships among major animal groups. C1 [Boore, Jeffrey L.; Fuerstenberg, Susan I.] Genome Project Solut, Hercules, CA 94547 USA. [Boore, Jeffrey L.] Univ Calif Berkeley, Dept Integrat Biol, Berkeley, CA 94720 USA. [Boore, Jeffrey L.] DOE Joint Genome Inst, Lawrence Berkeley Natl Lab, Walnut Creek, CA 94598 USA. RP Boore, JL (reprint author), Genome Project Solut, 1024 Promenade St, Hercules, CA 94547 USA. EM jlboore@GenomeProjectSolutions.com NR 41 TC 21 Z9 21 U1 1 U2 5 PU ROYAL SOC PI LONDON PA 6-9 CARLTON HOUSE TERRACE, LONDON SW1Y 5AG, ENGLAND SN 0962-8436 J9 PHILOS T R SOC B JI Philos. Trans. R. Soc. B-Biol. Sci. PD APR 27 PY 2008 VL 363 IS 1496 BP 1445 EP 1451 DI 10.1098/rstb.2007.2234 PG 7 WC Biology SC Life Sciences & Biomedicine - Other Topics GA 272NH UT WOS:000253865600004 PM 18192190 ER PT J AU Menon, S Del Genio, AD Kaufman, Y Bennartz, R Koch, D Loeb, N Orlikowski, D AF Menon, Surabi Del Genio, Anthony D. Kaufman, Yoram Bennartz, Ralf Koch, Dorothy Loeb, Norman Orlikowski, Daniel TI Analyzing signatures of aerosol-cloud interactions from satellite retrievals and the GISS GCM to constrain the aerosol indirect effect SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID STRATIFORM CLOUDS; CLIMATE MODELS; SENSITIVITY; PARAMETERIZATION; MICROPHYSICS; SIMULATIONS; CUMULUS AB Evidence of aerosol-cloud interactions is evaluated using satellite data from MODIS, CERES, and AMSR-E; reanalysis data from NCEP; and data from the NASA Goddard Institute for Space Studies climate model. We evaluate a series of model simulations: (1) Exp N, aerosol direct radiative effects; (2) Exp C, like Exp N but with aerosol effects on liquid-phase cumulus and stratus clouds; and (3) Exp CN, like Exp C but with model wind fields nudged to reanalysis data. Comparison between satellite-retrieved data and model simulations for June to August 2002 over the Atlantic Ocean indicate the following: a negative correlation between aerosol optical thickness (AOT) and cloud droplet effective radius (R-eff) for all cases and satellite data, except for Exp N, a weak but negative correlation between liquid water path (LWP) and AOT for MODIS and CERES, and a robust increase in cloud cover with AOT for both MODIS and CERES. In all simulations, there is a positive correlation between AOT and both cloud cover and LWP (except in the case of LWP-AOT for Exp CN). The largest slopes are obtained for Exp N, implying that meteorological variability may be an important factor. On the basis of NCEP data, warmer temperatures and increased subsidence were found for less clean cases (AOT > 0.06) that were not well captured by the model. Simulated cloud fields compared with an enhanced data product from MODIS and AMSR-E indicate that model cloud thickness is overpredicted and cloud droplet number is within retrieval uncertainties. Since LWP fields are comparable, this implies an underprediction of R-eff and thus an overprediction of the indirect effect. C1 [Menon, Surabi] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bennartz, Ralf] Univ Wisconsin, Dept Atmospher & Ocean Sci, Madison, WI USA. [Loeb, Norman] NASA, Langley Res Ctr, Hampton, VA USA. [Orlikowski, Daniel] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Del Genio, Anthony D.; Koch, Dorothy] NASA, Goddard Inst Space Studies, New York, NY 10025 USA. [Kaufman, Yoram] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Koch, Dorothy] Columbia Univ, Ctr Climate Syst Res, New York, NY USA. RP Menon, S (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Road,MS90KR109, Berkeley, CA 94720 USA. EM smenon@lbl.gov RI Del Genio, Anthony/D-4663-2012; Bennartz, Ralf/F-3760-2010 OI Del Genio, Anthony/0000-0001-7450-1359; NR 38 TC 25 Z9 25 U1 1 U2 7 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD APR 26 PY 2008 VL 113 IS D14 AR D14S22 DI 10.1029/2007JD009442 PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 295FG UT WOS:000255459800001 ER PT J AU Geiser, L Eeltink, S Svec, F Frechet, JMJ AF Geiser, Laurent Eeltink, Sebastiaan Svec, Frantisek Frechet, Jean M. J. TI In-line system containing porous polymer monoliths for protein digestion with immobilized pepsin, peptide preconcentration and nano-liquid chromatography separation coupled to electrospray ionization mass spectroscopy SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE nanoHPLC; enzymatic reactor; monolithic columns; mass spectrometry; pepsin; immobilized enzyme ID GLYCIDYL METHACRYLATE BEADS; LESS COMMON APPLICATIONS; SOLID-PHASE EXTRACTION; PENICILLIN-G ACYLASE; CAPILLARY ELECTROCHROMATOGRAPHY; STATIONARY PHASES; AFFINITY-CHROMATOGRAPHY; PERFORMANCE; SUPPORTS; TRYPSIN AB The use of two different monoliths located in capillaries for on-line protein digestion, preconcentration of peptides and their separation has been demonstrated. The first monolith was used as support for covalent immobilization of pepsin. This monolith with well-defined porous properties was prepared by in situ copolymerization of 2-vinyl-4,4-dimethylazlactone and ethylene dimethacrylate. The second, poly(lauryl methacrylate-co-ethylene dimethacrylate) monolith with a different porous structure served for the preconcentration of peptides from the digest and their separation in reversed-phase liquid chromatography mode. The top of the separation capillary was used as a preconcentrator, thus enabling the digestion of very dilute solutions of proteins in the bioreactor and increasing the sensitivity of the mass spectrometric detection of the peptides using a time-of-flight mass spectrometer with electrospray ionization. Myoglobin, albumin, and hemoglobin were digested to demonstrate feasibility of the concept of using the two monoliths in-line. Successive protein injections confirmed both the repeatability of the results and the ability to reuse the bioreactor for at least 20 digestions. (C) 2008 Published by Elsevier B.V. C1 [Geiser, Laurent; Eeltink, Sebastiaan; Frechet, Jean M. J.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Svec, Frantisek] Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry EO, Berkeley, CA 94720 USA. RP Frechet, JMJ (reprint author), Univ Calif Berkeley, Dept Chem, 718 Latimer Hall, Berkeley, CA 94720 USA. EM frechet@berkeley.edu OI Frechet, Jean /0000-0001-6419-0163 FU NIGMS NIH HHS [GM44885, R01 GM044885, R01 GM044885-15, R01 GM048364-16] NR 51 TC 43 Z9 44 U1 3 U2 41 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 APR 25 PY 2008 VL 1188 IS 2 BP 88 EP 96 DI 10.1016/j.chroma.2008.02.075 PG 9 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 296RW UT WOS:000255564500004 PM 18342870 ER PT J AU Wilkening, J Hosoi, AE AF Wilkening, Jon Hosoi, A. E. TI Shape optimization of a sheet swimming over a thin liquid layer SO JOURNAL OF FLUID MECHANICS LA English DT Article ID LOW-REYNOLDS-NUMBER; SELF-PROPULSION AB Motivated by the propulsion mechanisms adopted by gastropods, annelids and other invertebrates, we consider shape optimization of a flexible sheet that moves by propagating deformation waves along its body. The self-propelled sheet is separated from a rigid substrate by a thin layer of viscous Newtonian fluid. We use a lubrication approximation to model the dynamics and derive the relevant Euler-Lagrange equations to simultaneously optimize swimming speed, efficiency and fluid loss. We find that as the parameters controlling these quantities approach critical values, the optimal solutions become singular in a self-similar fashion and sometimes leave the realm of validity of the lubrication model. We explore these singular limits by computing higher-order corrections to the zeroth order theory and find that wave profiles that develop cusp-like singularities are appropriately penalized, yielding non-singular optimal solutions. These corrections are themselves validated by comparison with finite element solutions of the full Stokes equations, and, to the extent possible, using recent rigorous a priori error bounds. C1 [Wilkening, Jon] Univ Calif Berkeley, Dept Math, Berkeley, CA 94721 USA. [Wilkening, Jon] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94721 USA. [Hosoi, A. E.] MIT, Dept Mech Engn, Hatsopoulos Microfluids Lab, Cambridge, MA 02139 USA. RP Wilkening, J (reprint author), Univ Calif Berkeley, Dept Math, Berkeley, CA 94721 USA. NR 24 TC 9 Z9 9 U1 0 U2 7 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 J9 J FLUID MECH JI J. Fluid Mech. PD APR 25 PY 2008 VL 601 BP 25 EP 61 DI 10.1017/S0022112008000384 PG 37 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 304JZ UT WOS:000256107100002 ER PT J AU Dalvit, DAR Maia, PA Lambrecht, A Reynaud, S AF Dalvit, Diego A. R. Maia Neto, Paulo A. Lambrecht, Astrid Reynaud, Serge TI Lateral Casimir-Polder force with corrugated surfaces SO JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL LA English DT Article; Proceedings Paper CT 8th Workshop on Quantum Field Theory Under the Influence of External Conditions CY SEP 17-21, 2007 CL Leipzig Univ, Leipzig, GERMANY HO Leipzig Univ ID MU-M AB We derive the lateral Casimir-Polder force on a ground-state atom on top of a corrugated surface, up to first order in the corrugation amplitude. Our calculation is based on the scattering approach, which takes into account nonspecular reflections and polarization mixing for electromagnetic quantum fluctuations impinging on real materials. We compare our first order exact result with two commonly used approximation methods. We show that the proximity force approximation ( large corrugation wavelengths) overestimates the lateral force, while the pairwise summation approach underestimates it due to the non-additivity of dispersion forces. We argue that a frequency shift measurement for the dipolar lateral oscillations of cold atoms could provide a striking demonstration of non-trivial geometrical effects on the quantum vacuum. C1 [Dalvit, Diego A. R.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Maia Neto, Paulo A.] Univ Fed Rio de Janeiro, Inst Fis, BR-21941972 Rio de Janeiro, Brazil. [Lambrecht, Astrid; Reynaud, Serge] Univ Pierre & Marie Curie Case 74, ENS, CNRS, Lab Kastler Brossel, F-75252 Paris, France. RP Dalvit, DAR (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RI Fluidos Complexos, INCT/H-9172-2013; Reynaud, Serge/J-8061-2014; Lambrecht, Astrid/K-1208-2014 OI Reynaud, Serge/0000-0002-1494-696X; Lambrecht, Astrid/0000-0002-5193-1222 NR 39 TC 12 Z9 12 U1 2 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1751-8113 EI 1751-8121 J9 J PHYS A-MATH THEOR JI J. Phys. A-Math. Theor. PD APR 25 PY 2008 VL 41 IS 16 AR 164028 DI 10.1088/1751-8113/41/16/164028 PG 11 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA 285LN UT WOS:000254778400029 ER PT J AU Mendes, TNC Rosa, FSS Tenorio, A Farina, C AF Mendes, T. N. C. Rosa, F. S. S. Tenorio, A. Farina, C. TI Dispersion forces between an atom and a perfectly conducting wedge SO JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL LA English DT Article; Proceedings Paper CT 8th Workshop on Quantum Field Theory Under the Influence of External Conditions CY SEP 17-21, 2007 CL Leipzig Univ, Leipzig, GERMANY HO Leipzig Univ ID CASIMIR; FORMALISM; MIRROR; SYSTEM AB We consider the interaction between an electrically polarizable atom in its fundamental state and a wedge constituted by two semi-infinite perfectly conducting plates. Using a formalism based on a master equation, we compute the dispersion force on the atom for both retarded and non-retarded regimes. C1 [Mendes, T. N. C.] Univ Fed Fluminense, BR-24210340 Rio De Janeiro, Brazil. [Rosa, F. S. S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Tenorio, A.] Ctr Brasileiro Pesquisas Fis, BR-22290180 Rio De Janeiro, Brazil. [Farina, C.] Univ Fed Rio de Janeiro, BR-21941972 Rio De Janeiro, Brazil. RP Mendes, TNC (reprint author), Univ Fed Fluminense, BR-24210340 Rio De Janeiro, Brazil. RI Tenorio, Andre/N-9975-2013 OI Tenorio, Andre/0000-0003-2907-9624 NR 26 TC 0 Z9 0 U1 1 U2 1 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 APR 25 PY 2008 VL 41 IS 16 AR 164029 DI 10.1088/1751-8113/41/16/164029 PG 9 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA 285LN UT WOS:000254778400030 ER PT J AU Krone, RT Martin, LP Patterson, JR Orlikowski, D Nguyen, JH AF Krone, Ryan T. Martin, L. Peter Patterson, J. Reed Orlikowski, Daniel Nguyen, Jeffrey H. TI Fabrication and characterization of graded impedance impactors for gas gun experiments from hot-pressed magnesium and polyethylene powders SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE magnesium; polyethylene; acoustic impedance; sound wave velocity ID ISENTROPIC COMPRESSION; COMPOSITE; DENSITY AB A methodology is described for fabrication of compositionally graded metal/polymer structures to be used as light-gas gun impactors. Mixtures of Mg and polyethylene (PE) powders were layered into a stainless steel mold and uniaxially pressed to achieve a controlled composition gradient ranging from 5 to 100% PE. Monolithic pellets of each composition were evaluated by measurement of density and sound wave velocity. Both properties vary monotonically over most of the composition range. Graded impactors were characterized by ultrasonic C-scan and white light interferometry. A prototype impactor was launched into a stationary LiF target using a two-stage light-gas gun, and the resulting particle velocity was characterized via velocimetry. An impactor with 20 layers of differing composition produced smooth compression with a barely visible manifestation of the discrete layer structure. Fabrication of graded impactors by this technique is of significant interest for providing improved control of the pressure profile and impactor planarity in gas gun experiments. (C) 2007 Elsevier B.V. All rights reserved. C1 [Krone, Ryan T.; Martin, L. Peter; Patterson, J. Reed; Orlikowski, Daniel; Nguyen, Jeffrey H.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Martin, LP (reprint author), Lawrence Livermore Natl Lab, Mail Code L-340,POB 808, Livermore, CA 94551 USA. EM martin89@llnl.gov NR 25 TC 4 Z9 4 U1 1 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD APR 25 PY 2008 VL 479 IS 1-2 BP 300 EP 305 DI 10.1016/j.msea.2007.06.056 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 292HE UT WOS:000255256300036 ER PT J AU Aaltonen, T Adelman, J Akimoto, T Albrow, MG Gonzalez, BA Amerio, S Amidei, D Anastassov, A Annovi, A Antos, J Aoki, M Apollinari, G Apresyan, A Arisawa, T Artikov, A Ashmanskas, W Attal, A Aurisano, A Azfar, F Azzi-Bacchetta, P Azzurri, P Bacchetta, N Badgett, W Barbaro-Galtieri, A Barnes, VE Barnett, BA Baroiant, S Bartsch, V Bauer, G Beauchemin, PH Bedeschi, F Bednar, P Behari, S Bellettini, G Bellinger, J Belloni, A Benjamin, D Beretvas, A Beringer, J Berry, T Bhatti, A Binkley, M Bisello, D Bizjak, I Blair, RE Blocker, C Blumenfeld, B Bocci, A Bodek, A Boisvert, V Bolla, G Bolshov, A Bortoletto, D Boudreau, J Boveia, A Brau, B Bridgeman, A Brigliadori, L Bromberg, C Brubaker, E Budagov, E Budd, HS Budd, S Burkett, K Busetto, G Bussey, P Buzatu, A Byrum, KL Cabrera, S Campanelli, M Campbell, M Canelli, F Canepa, A Carlsmith, D Carosi, R Carrillo, S Carron, S Casal, B Casarsa, M Castro, A Catastini, P Cauz, D Cavalli-Sforza, M Cerri, A Cerrito, L Chang, SH Chen, YC Chertok, M Chiarelli, G Chlachidze, G Chlebana, F Cho, K Chokheli, D Chou, JP Choudalakis, G Chuang, SH Chung, K Chung, WH Chung, YS Ciobanu, CI Ciocci, MA Clark, A Clark, D Compostella, G Convery, ME Conway, J Cooper, B Copic, K Cordelli, M Cortiana, G Crescioli, F Almenar, CC Cuevas, J Culbertson, R Cully, JC Dagenhart, D Datta, M Davies, T de Barbaro, P De Cecco, S Deisher, A De Lentdecker, G De Lorenzo, G Dell'Orso, M Demortier, L Deng, J Deninno, M De Pedis, D Derwent, PF Di Giovanni, GP Dionisi, C Di Ruzza, B Dittmann, JR D'Onofrio, M Donati, S Dong, P Donini, J Dorigo, T Dube, S Efron, J Erbacher, R Errede, D Errede, S Eusebi, R Fang, HC Farrington, S Fedorko, WT Feild, RG Feindt, M Fernandez, JP Ferrazza, C Field, R Flanagan, G Forrest, R Forrester, S Franklin, M Freeman, JC Furic, I Gallinaro, M Galyardt, J Garberson, F Garcia, JE Garfinkel, AF Genser, K Gerberich, H Gerdes, D Giagu, S Giakoumopolou, V Giannetti, P Gibson, K Gimmell, JL Ginsburg, CM Giokaris, N Giordani, M Giromini, P Giunta, M Giurgiu, G Glagolev, V Glenzinski, D Gold, M Goldschmidt, N Golossanov, A Gomez, G Gomez-Ceballos, G Goncharov, M Gonzalez, O Gorelov, I Goshaw, AT Goulianos, K Gresele, A Grinstein, S Grosso-Pilcher, C Group, RC Grundler, U da Costa, JG Gunay-Unalan, Z Haber, C Hahn, K Hahn, SR Halkiadakis, E Hamilton, A Han, BY Han, JY Handler, R Happacher, F Hara, K Hare, D Hare, M Harper, S Harr, RF Harris, RM Hartz, M Hatakeyama, K Hauser, J Hays, C Heck, M Heijboer, A Heinemann, B Heinrich, J Henderson, C Herndon, M Heuser, J Hewamanage, S Hidas, D Hill, CS Hirschbuehl, D Hocker, A Hou, S Houlden, M Hsu, SC Huffman, BT Hughes, RE Husemann, U Huston, J Incandela, J Introzzi, G Iori, M Ivanov, A Iyutin, B James, E Jayatilaka, B Jeans, D Jeon, EJ Jindariani, S Johnson, W Jones, M Joo, KK Jun, SY Jung, JE Junk, TR Kamon, T Kar, D Karchin, PE Kato, Y Kephart, R Kerzel, U Khotilovich, V Kilminster, B Kim, DH Kim, HS Kim, JE Kim, MJ Kim, SB Kim, SH Kim, YK Kimura, N Kirsch, L Klimenko, S Klute, M Knuteson, B Ko, BR Koay, SA Kondo, K Kong, DJ Konigsberg, J Korytov, A Kotwal, AV Kraus, J Kreps, M Kroll, J Krumnack, N Kruse, M Krutelyov, V Kubo, T Kuhlmann, SE Kuhr, T Kulkarni, NP Kusakabe, Y Kwang, S Laasanen, AT Labarga, L Lai, S Lami, S Lammel, S Lancaster, M Lander, RL Lannon, K Lath, A Latino, G Lazzizzera, I LeCompte, T Lee, J Lee, J Lee, YJ Lee, SW Lefevre, R Leonardo, N Leone, S Levy, S Lewis, JD Lin, C Lin, CS Linacre, J Lindgren, M Lipeles, E Lister, A Litvintsev, DO Liu, C Liu, T Lockyer, NS Loginov, A Loreti, M Lovas, L Lu, RS Lucchesi, D Lueck, J Luci, C Lujan, P Lukens, P Lungu, G Lyons, L Lys, J Lysak, R Lytken, E Mack, P MacQueen, D Madrak, R Maeshima, K Makhoul, K Maki, T Maksimovic, P Malde, S Malik, S Manca, G Manousakis, A Margaroli, F Marino, C Martin, A Martin, M Martin, V Martinez, M Martinez-Ballarin, R Maruyama, T Mastrandrea, P Masubuchi, T Mattson, ME Mazzanti, P McFarland, KS McIntyre, P McNulty, R Mehta, A Mehtala, P Menzemer, S Menzione, A Merkel, P Mesropian, C Messina, A Miao, T Miladinovic, N Miles, J Miller, R Mills, C Milnik, M Mitra, A Mitselmakher, G Miyake, H Moed, S Moggi, N Moon, CS Moore, R Morello, M Fernandez, PM Mulmenstadt, J Mukherjee, A Muller, T Mumford, R Murat, P Mussini, M Nachtman, J Nagai, Y Nagano, A Naganoma, J Nakamura, K Nakano, I Napier, A Necula, V Neu, C Neubauer, MS Nielsen, J Nodulman, L Norman, M Norniella, O Nurse, E Oh, SH Oh, YD Oksuzian, I Okusawa, T Oldeman, R Orava, R Osterberg, K Griso, SP Pagliarone, C Palencia, E Papadimitriou, V Papaikonomou, A Paramonov, AA Parks, B Pashapour, S Patrick, J Pauletta, G Paulini, M Paus, C Pellett, DE Penzo, A Phillips, TJ Piacentino, G Piedra, J Pinera, L Pitts, K Plager, C Pondrom, L Portell, X Poukhov, O Pounder, N Prakoshyn, F Pronko, A Proudfoot, J Ptohos, F Punzi, G Pursley, J Rademacker, J Rahaman, A Ramakrishnan, V Ranjan, N Redondo, I Reisert, B Rekovic, V Renton, P Rescigno, M Richter, S Rimondi, F Ristori, L Robson, A Rodrigo, T Rogers, E Rolli, S Roser, R Rossi, M Rossin, R Roy, P Ruiz, A Russ, J Rusu, V Saarikko, H Safonov, A Sakumoto, WK Salamanna, G Salto, O Santi, L Sarkar, S Sartori, L Sato, K Savoy-Navarro, A Scheidle, T Schlabach, P Schmidt, EE Schmidt, MA Schmidt, MP Schmitt, M Schwarz, T Scodellaro, L Scott, AL Scribano, A Scuri, F Sedov, A Seidel, S Seiya, Y Semenov, A Sexton-Kennedy, L Sfyrla, A Shalhout, SZ Shapiro, MD Shears, T Shepard, PF Sherman, D Shimojima, M Shochet, M Shon, Y Shreyber, I Sidoti, A Sinervo, P Sisakyan, A Slaughter, AJ Slaunwhite, J Sliwa, K Smith, JR Snider, FD Snihur, R Soderberg, M Soha, A Somalwar, S Sorin, V Spalding, J Spinella, F Spreitzer, T Squillacioti, P Stanitzki, M St Denis, R Stelzer, B Stelzer-Chilton, O Stentz, D Strologas, J Stuart, D Suh, JS Sukhanov, A Sun, H Suslov, I Suzuki, T Taffard, A Takashima, R Takeuchi, Y Tanaka, R Tecchio, M Teng, PK Terashi, K Thom, J Thompson, AS Thompson, GA Thomson, E Tipton, P Tiwari, V Tkaczyk, S Toback, D Tokar, S Tollefson, K Tomura, T Tonelli, D Torre, S Torretta, D Tourneur, S Trischuk, W Tu, Y Turini, N Ukegawa, F Uozumi, S Vallecorsa, S van Remortel, N Varganov, A Vataga, E Vazquez, F Velev, G Vellidis, C Veszpremi, V Vidal, M Vidal, R Vila, I Vilar, R Vine, T Vogel, M Volobouev, I Volpi, G Wurthwein, F Wagner, P Wagner, RG Wagner, RL Wagner-Kuhr, J Wagner, W Wakisaka, T Wallny, R Wang, SM Warburton, A Waters, D Weinberger, M Wester, WC Whitehouse, B Whiteson, D Wicklund, AB Wicklund, E Williams, G Williams, HH Wilson, P Winer, BL Wittich, P Wolbers, S Wolfe, C Wright, T Wu, X Wynne, SM Yagil, A Yamamoto, K Yamaoka, J Yamashita, T Yang, C Yang, UK Yang, YC Yao, WM Yeh, GP Yoh, J Yorita, K Yoshida, T Yu, GB Yu, I Yu, SS Yun, JC Zanello, L Zanetti, A Zaw, I Zhang, X Zheng, Y Zucchelli, S AF Aaltonen, T. Adelman, J. Akimoto, T. Albrow, M. G. Alvarez Gonzalez, B. Amerio, S. Amidei, D. Anastassov, A. Annovi, A. Antos, J. Aoki, M. Apollinari, G. Apresyan, A. Arisawa, T. Artikov, A. Ashmanskas, W. Attal, A. Aurisano, A. Azfar, F. Azzi-Bacchetta, P. Azzurri, P. Bacchetta, N. Badgett, W. Barbaro-Galtieri, A. Barnes, V. E. Barnett, B. A. Baroiant, S. Bartsch, V. Bauer, G. Beauchemin, P.-H. Bedeschi, F. Bednar, P. Behari, S. Bellettini, G. Bellinger, J. Belloni, A. Benjamin, D. Beretvas, A. Beringer, J. Berry, T. Bhatti, A. Binkley, M. Bisello, D. Bizjak, I. Blair, R. E. Blocker, C. Blumenfeld, B. Bocci, A. Bodek, A. Boisvert, V. Bolla, G. Bolshov, A. Bortoletto, D. Boudreau, J. Boveia, A. Brau, B. Bridgeman, A. Brigliadori, L. Bromberg, C. Brubaker, E. Budagov, E. Budd, H. S. Budd, S. Burkett, K. Busetto, G. Bussey, P. Buzatu, A. Byrum, K. L. Cabrera, S. Campanelli, M. Campbell, M. Canelli, F. Canepa, A. Carlsmith, D. Carosi, R. Carrillo, S. Carron, S. Casal, B. Casarsa, M. Castro, A. Catastini, P. Cauz, D. Cavalli-Sforza, M. Cerri, A. Cerrito, L. Chang, S. H. Chen, Y. C. Chertok, M. Chiarelli, G. Chlachidze, G. Chlebana, F. Cho, K. Chokheli, D. Chou, J. P. Choudalakis, G. Chuang, S. H. Chung, K. Chung, W. H. Chung, Y. S. Ciobanu, C. I. Ciocci, M. A. Clark, A. Clark, D. Compostella, G. Convery, M. E. Conway, J. Cooper, B. Copic, K. Cordelli, M. Cortiana, G. Crescioli, F. Cuenca Almenar, C. Cuevas, J. Culbertson, R. Cully, J. C. Dagenhart, D. Datta, M. Davies, T. de Barbaro, P. De Cecco, S. Deisher, A. De Lentdecker, G. De Lorenzo, G. Dell'Orso, M. Demortier, L. Deng, J. Deninno, M. De Pedis, D. Derwent, P. F. Di Giovanni, G. P. Dionisi, C. Di Ruzza, B. Dittmann, J. R. D'Onofrio, M. Donati, S. Dong, P. Donini, J. Dorigo, T. Dube, S. Efron, J. Erbacher, R. Errede, D. Errede, S. Eusebi, R. Fang, H. C. Farrington, S. Fedorko, W. T. Feild, R. G. Feindt, M. Fernandez, J. P. Ferrazza, C. Field, R. Flanagan, G. Forrest, R. Forrester, S. Franklin, M. Freeman, J. C. Furic, I. Gallinaro, M. Galyardt, J. Garberson, F. Garcia, J. E. Garfinkel, A. F. Genser, K. Gerberich, H. Gerdes, D. Giagu, S. Giakoumopolou, V. Giannetti, P. Gibson, K. Gimmell, J. L. Ginsburg, C. M. Giokaris, N. Giordani, M. Giromini, P. Giunta, M. Giurgiu, G. Glagolev, V. Glenzinski, D. Gold, M. Goldschmidt, N. Golossanov, A. Gomez, G. Gomez-Ceballos, G. Goncharov, M. Gonzalez, O. Gorelov, I. Goshaw, A. T. Goulianos, K. Gresele, A. Grinstein, S. Grosso-Pilcher, C. Group, R. C. Grundler, U. Guimaraes da Costa, J. Gunay-Unalan, Z. Haber, C. Hahn, K. Hahn, S. R. Halkiadakis, E. Hamilton, A. Han, B.-Y. Han, J. Y. Handler, R. Happacher, F. Hara, K. Hare, D. Hare, M. Harper, S. Harr, R. F. Harris, R. M. Hartz, M. Hatakeyama, K. Hauser, J. Hays, C. Heck, M. Heijboer, A. Heinemann, B. Heinrich, J. Henderson, C. Herndon, M. Heuser, J. Hewamanage, S. Hidas, D. Hill, C. S. Hirschbuehl, D. Hocker, A. Hou, S. Houlden, M. Hsu, S.-C. Huffman, B. T. Hughes, R. E. Husemann, U. Huston, J. 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CA CDF Collaboration TI First flavor-tagged determination of bounds on mixing-induced CP violation in B-s(0)-> J/psi phi decays SO PHYSICAL REVIEW LETTERS LA English DT Article ID DECAYS; MESON AB This Letter describes the first determination of bounds on the CP-violation parameter 2 beta(s) using B-s(0) decays in which the flavor of the bottom meson at production is identified. The result is based on approximately 2000 B-s(0) -> J/psi phi decays reconstructed in a 1.35 fb(-1) data sample collected with the CDF II detector using p (p) over bar collisions produced at the Fermilab Tevatron. We report confidence regions in the two-dimensional space of 2 beta(s) and the decay-width difference Delta Gamma. Assuming the standard model predictions of 2 beta(s) and Delta Gamma, the probability of a deviation as large as the level of the observed data is 15%, corresponding to 1.5 Gaussian standard deviations. C1 Univ Helsinki, Div High Energy Phys, Dept Phys, FIN-00014 Helsinki, Finland. Argonne Natl Lab, Argonne, IL 60439 USA. Univ Autonoma Barcelona, Inst Fis Altes Energies, E-08193 Bellaterra, Spain. Baylor Univ, Waco, TX 76798 USA. Univ Bologna, Ist Nazl Fis Nucl, I-40127 Bologna, Italy. Brandeis Univ, Waltham, MA 02254 USA. Univ Calif Davis, Davis, CA 95616 USA. Univ Calif Los Angeles, Los Angeles, CA 90024 USA. Univ Calif San Diego, La Jolla, CA 92093 USA. Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. Univ Cantabria, CSIC, Inst Fis Cantabria, E-39005 Santander, Spain. Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. Comenius Univ, Bratislava 84248, Slovakia. Slovak Acad Sci, Inst Expt Phys, Kosice 04001, Slovakia. Joint Inst Nucl Res, RU-141980 Dubna, Russia. Duke Univ, Durham, NC 27708 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Florida, Gainesville, FL 32611 USA. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Geneva, CH-1211 Geneva 4, Switzerland. Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. Harvard Univ, Cambridge, MA 02138 USA. Helsinki Inst Phys, FIN-00014 Helsinki, Finland. Univ Illinois, Urbana, IL 61801 USA. Johns Hopkins Univ, Baltimore, MD 21218 USA. Univ Karlsruhe, Inst Expt Kernphys, D-76128 Karlsruhe, Germany. Kyungpook Natl Univ, Ctr High Energy Phys, Taegu 702701, South Korea. Seoul Natl Univ, Seoul 151742, South Korea. Sungkyunkwan Univ, Suwon 440746, South Korea. Korea Inst Sci & Technol Informat, Taejon 305806, South Korea. Chonnam Natl Univ, Kwangju 500757, South Korea. Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Liverpool, Liverpool L69 7ZE, Merseyside, England. UCL, London WC1E 6BT, England. Ctr Invest Energet Medioambientales & Tecnol, E-28040 Madrid, Spain. MIT, Cambridge, MA 02139 USA. McGill Univ, Inst Particle Phys, Montreal, PQ H3A 2T8, Canada. Univ Toronto, Toronto, ON M5S 1A7, Canada. Univ Michigan, Ann Arbor, MI 48109 USA. Michigan State Univ, E Lansing, MI 48824 USA. 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Waseda Univ, Tokyo 169, Japan. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06520 USA. RP Aaltonen, T (reprint author), Univ Helsinki, Div High Energy Phys, Dept Phys, FIN-00014 Helsinki, Finland. 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CA CDF Collaboration TI Search for heavy toplike quarks using lepton plus jets events in 1.96 TeV p(p)over-bar collisions SO PHYSICAL REVIEW LETTERS LA English DT Article ID COLLIDER DETECTOR; TOP-QUARK; HIGGS; GENERATIONS; FERMILAB; PHYSICS AB We present the results of a search for pair production of a new heavy toplike quark t' decaying to a W boson and another quark using the Collider Detector at Fermilab II detector in run II of the Tevatron p (p) over bar collider. Using a data sample corresponding to 760 pb(-1) of integrated luminosity, we fit the observed spectrum of total transverse energy and reconstructed t' quark mass to a combination of standard model processes and t' pair production. We see no evidence for t'(t) over bar' production, and we infer a lower limit of 256 GeV/c(2) on the mass of the t(') at 95% C.L. assuming standard strong couplings for the t'. C1 Univ Helsinki, Div High Energy Phys, Dept Phys, FIN-00014 Helsinki, Finland. [Chen, Y. 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[Gold, M.; Gorelov, I.; Rekovic, V.; Seidel, S.; Strologas, J.; Vataga, E.; Vogel, M.] Univ New Mexico, Albuquerque, NM 87131 USA. [Schmitt, M.; Stentz, D.] Northwestern Univ, Evanston, IL 60208 USA. [Efron, J.; Hughes, R. E.; Kilminster, B.; Lannon, K.; Parks, B.; Slaunwhite, J.; Winer, B. L.] Ohio State Univ, Columbus, OH 43210 USA. [Nakano, I.; Takashima, R.; Tanaka, R.; Yamashita, T.] Okayama Univ, Okayama 7008530, Japan. [Kato, Y.; Okusawa, T.; Seiya, Y.; Wakisaka, T.; Yamamoto, K.; Yoshida, T.] Osaka City Univ, Osaka 588, Japan. [Azfar, F.; Harper, S.; Hays, C.; Huffman, B. T.; Lyons, L.; Malde, S.; Pounder, N.; Rademacker, J.; Renton, P.; Stelzer-Chilton, O.] Univ Oxford, Oxford OX1 3RH, England. [Amerio, S.; Azzi-Bacchetta, P.; Bacchetta, N.; Bisello, D.; Busetto, G.; Compostella, G.; Cortiana, G.; Donini, J.; Dorigo, T.; Gresele, A.; Lazzizzera, I.; Loreti, M.; Lucchesi, D.; Griso, S. Pagan] Univ Padua, Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy. [Di Giovanni, G. P.; Piedra, J.; Savoy-Navarro, A.; Tourneur, S.] Univ Paris 06, LPNHE, IN2P3 CNR, UMR7585, F-75252 Paris, France. [Canepa, A.; Heijboer, A.; Heinrich, J.; Kroll, J.; Neu, C.; Thomson, E.; Tu, Y.; Wagner, P.; Whiteson, D.; Williams, H. H.] Univ Penn, Philadelphia, PA 19104 USA. [Anastassov, A.; Azzurri, P.; Bedeschi, F.; Bellettini, G.; Carosi, R.; Catastini, P.; Chiarelli, G.; Ciocci, M. A.; Crescioli, F.; Dell'Orso, M.; Donati, S.; Ferrazza, C.; Garcia, J. E.; Giakoumopolou, V.; Giannetti, P.; Gibson, K.; Giunta, M.; Introzzi, G.; Lami, S.; Latino, G.; Leone, S.; Menzione, A.; Morello, M.; Pagliarone, C.; Piacentino, G.; Punzi, G.; Ristori, L.; Sartori, L.; Scribano, A.; Scuri, F.; Sidoti, A.; Spinella, F.; Squillacioti, P.; Turini, N.; Vellidis, C.; Volpi, G.] Univ Pisa, Ist Nazl Fis Nucl, Siena & Scuola Normale Super, I-56127 Pisa, Italy. [Boudreau, J.; Hartz, M.; Rahaman, A.; Shepard, P. F.] Univ Pittsburgh, Pittsburgh, PA 15260 USA. [Apresyan, A.; Barnes, V. E.; Bolla, G.; Bortoletto, D.; Flanagan, G.; Garfinkel, A. F.; Jones, M.; Laasanen, A. T.; Lytken, E.; Margaroli, F.; Merkel, P.; Ranjan, N.; Sedov, A.; Veszpremi, V.] Purdue Univ, W Lafayette, IN 47907 USA. [Bodek, A.; Boisvert, V.; Budd, H. S.; Chung, Y. S.; de Barbaro, P.; De Lentdecker, G.; Gimmell, J. L.; Han, B. -Y.; Han, J. Y.; Lee, J.; McFarland, K. S.; Sakumoto, W. K.; Yu, G. B.] Univ Rochester, Rochester, NY 14627 USA. [Bhatti, A.; Demortier, L.; Gallinaro, M.; Goulianos, K.; Hatakeyama, K.; Mesropian, C.; Terashi, K.] Rockefeller Univ, New York, NY 10021 USA. [De Cecco, S.; De Pedis, D.; Dionisi, C.; Giagu, S.; Iori, M.; Jeans, D.; Luci, C.; Mastrandrea, P.; Rescigno, M.; Salamanna, G.; Sarkar, S.; Zanello, L.] Univ Rome, Ist Nazl Fis Nucl, Sez Roma 1, I-00185 Rome, Italy. [Anastassov, A.; Chuang, S. H.; Dube, S.; Halkiadakis, E.; Hare, D.; Lath, A.; Somalwar, S.; Yamaoka, J.] Rutgers State Univ, Piscataway, NJ 08855 USA. [Aurisano, A.; Goncharov, M.; Kamon, T.; Khotilovich, V.; Lee, S. W.; McIntyre, P.; Safonov, A.; Toback, D.; Weinberger, M.] Texas A&M Univ, College Stn, TX 77843 USA. [Cauz, D.; Di Ruzza, B.; Giordani, M.; Pauletta, G.; Penzo, A.; Rossi, M.; Santi, L.; Zanetti, A.] Univ Trieste, Ist Nazl Fis Nucl, Udine, Italy. [Akimoto, T.; Hara, K.; Kim, S. H.; Kimura, N.; Kubo, T.; Maruyama, T.; Masubuchi, T.; Miyake, H.; Nagai, Y.; Nagano, A.; Nakamura, K.; Shimojima, M.; Suzuki, T.; Takeuchi, Y.; Tomura, T.; Ukegawa, F.; Uozumi, S.] Univ Tsukuba, Tsukuba, Ibaraki 305, Japan. [Hare, M.; Napier, A.; Rolli, S.; Sliwa, K.; Sun, H.; Whitehouse, B.] Tufts Univ, Medford, MA 02155 USA. [Arisawa, T.; Kondo, K.; Kusakabe, Y.; Naganoma, J.] Waseda Univ, Tokyo 169, Japan. [Harr, R. F.; Karchin, P. E.; Kulkarni, N. P.; Mattson, M. E.; Shalhout, S. Z.] Wayne State Univ, Detroit, MI 48201 USA. [Bellinger, J.; Carlsmith, D.; Chung, W. H.; Handler, R.; Herndon, M.; Pondrom, L.; Pursley, J.; Ramakrishnan, V.; Shon, Y.] Univ Wisconsin, Madison, WI 53706 USA. [Feild, R. G.; Husemann, U.; Loginov, A.; Martin, A.; Schmidt, M. P.; Stanitzki, M.; Tipton, P.; Yang, C.] Yale Univ, New Haven, CT 06520 USA. RP Aaltonen, T (reprint author), Univ Helsinki, Div High Energy Phys, Dept Phys, FIN-00014 Helsinki, Finland. RI Prokoshin, Fedor/E-2795-2012; Leonardo, Nuno/M-6940-2016; Canelli, Florencia/O-9693-2016; Moon, Chang-Seong/J-3619-2014; Scodellaro, Luca/K-9091-2014; Paulini, Manfred/N-7794-2014; Russ, James/P-3092-2014; Cabrera Urban, Susana/H-1376-2015; Garcia, Jose /H-6339-2015; ciocci, maria agnese /I-2153-2015; Cavalli-Sforza, Matteo/H-7102-2015; Introzzi, Gianluca/K-2497-2015; Muelmenstaedt, Johannes/K-2432-2015; Gorelov, Igor/J-9010-2015; Kim, Soo-Bong/B-7061-2014; Lysak, Roman/H-2995-2014; Ruiz, Alberto/E-4473-2011; Robson, Aidan/G-1087-2011; De Cecco, Sandro/B-1016-2012; Azzi, Patrizia/H-5404-2012; manca, giulia/I-9264-2012; Amerio, Silvia/J-4605-2012; Punzi, Giovanni/J-4947-2012; messina, andrea/C-2753-2013; Annovi, Alberto/G-6028-2012; Ivanov, Andrew/A-7982-2013; Warburton, Andreas/N-8028-2013 OI Prokoshin, Fedor/0000-0001-6389-5399; Leonardo, Nuno/0000-0002-9746-4594; Canelli, Florencia/0000-0001-6361-2117; Gallinaro, Michele/0000-0003-1261-2277; Salamanna, Giuseppe/0000-0002-0861-0052; Turini, Nicola/0000-0002-9395-5230; Moon, Chang-Seong/0000-0001-8229-7829; Scodellaro, Luca/0000-0002-4974-8330; Paulini, Manfred/0000-0002-6714-5787; Russ, James/0000-0001-9856-9155; ciocci, maria agnese /0000-0003-0002-5462; Introzzi, Gianluca/0000-0002-1314-2580; Muelmenstaedt, Johannes/0000-0003-1105-6678; Gorelov, Igor/0000-0001-5570-0133; Ruiz, Alberto/0000-0002-3639-0368; Azzi, Patrizia/0000-0002-3129-828X; Punzi, Giovanni/0000-0002-8346-9052; Annovi, Alberto/0000-0002-4649-4398; Ivanov, Andrew/0000-0002-9270-5643; Warburton, Andreas/0000-0002-2298-7315 NR 28 TC 29 Z9 29 U1 1 U2 7 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 APR 25 PY 2008 VL 100 IS 16 AR 161803 DI 10.1103/PhysRevLett.100.161803 PG 7 WC Physics, Multidisciplinary SC Physics GA 295EK UT WOS:000255457600019 ER PT J AU Akli, KU Hansen, SB Kemp, AJ Freeman, RR Beg, FN Clark, DC Chen, SD Hey, D Hatchett, SP Highbarger, K Giraldez, E Green, JS Gregori, G Lancaster, KL Ma, T MacKinnon, AJ Norreys, P Patel, N Pasley, J Shearer, C Stephens, RB Stoeckl, C Storm, M Theobald, W Van Woerkom, LD Weber, R Key, MH AF Akli, K. U. Hansen, S. B. Kemp, A. J. Freeman, R. R. Beg, F. N. Clark, D. C. Chen, S. D. Hey, D. Hatchett, S. P. Highbarger, K. Giraldez, E. Green, J. S. Gregori, G. Lancaster, K. L. Ma, T. MacKinnon, A. J. Norreys, P. Patel, N. Pasley, J. Shearer, C. Stephens, R. B. Stoeckl, C. Storm, M. Theobald, W. Van Woerkom, L. D. Weber, R. Key, M. H. TI Laser heating of solid matter by light-pressure-driven shocks at ultrarelativistic intensities SO PHYSICAL REVIEW LETTERS LA English DT Article ID HIGH-GAIN; ABSORPTION; EMISSION; IGNITION; FACILITY AB The heating of solid targets irradiated by 5x10(20) W cm(-2), 0.8 ps, 1.05 mu m wavelength laser light is studied by x-ray spectroscopy of the K-shell emission from thin layers of Ni, Mo, and V. A surface layer is heated to similar to 5 keV with an axial temperature gradient of 0.6 mu m scale length. Images of Ni Ly(alpha) show the hot region has <= 25 mu m diameter. These data are consistent with collisional particle-in-cell simulations using preformed plasma density profiles from hydrodynamic modeling which show that the > 100 G bar light pressure compresses the preformed plasma and drives a shock into the solid, heating a thin layer. C1 [Akli, K. U.; Hansen, S. B.; Kemp, A. J.; Hey, D.; Hatchett, S. P.; MacKinnon, A. J.; Key, M. H.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Akli, K. U.; Giraldez, E.; Shearer, C.; Stephens, R. B.] Gen Atom Co, San Diego, CA 92186 USA. [Akli, K. U.; Freeman, R. R.; Clark, D. C.; Highbarger, K.; Patel, N.; Van Woerkom, L. D.; Weber, R.] Ohio State Univ, Columbus, OH 43210 USA. [Freeman, R. R.; Beg, F. N.; Chen, S. D.; Ma, T.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Green, J. S.; Gregori, G.; Lancaster, K. L.; Norreys, P.; Pasley, J.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Stoeckl, C.; Storm, M.; Theobald, W.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Gregori, G.] Univ Oxford, Dept Phys, Oxford OX1 3PU, England. RP Akli, KU (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RI Ma, Tammy/F-3133-2013; MacKinnon, Andrew/P-7239-2014; Brennan, Patricia/N-3922-2015; OI Ma, Tammy/0000-0002-6657-9604; MacKinnon, Andrew/0000-0002-4380-2906; Stephens, Richard/0000-0002-7034-6141 NR 24 TC 50 Z9 50 U1 1 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 25 PY 2008 VL 100 IS 16 AR 165002 DI 10.1103/PhysRevLett.100.165002 PG 4 WC Physics, Multidisciplinary SC Physics GA 295EK UT WOS:000255457600045 PM 18518211 ER PT J AU Al-Hassanieh, KA Reboredo, FA Feiguin, AE Gonzalez, I Dagotto, E AF Al-Hassanieh, K. A. Reboredo, F. A. Feiguin, A. E. Gonzalez, I. Dagotto, E. TI Excitons in the one-dimensional Hubbard model: A real-time study SO PHYSICAL REVIEW LETTERS LA English DT Article ID DENSITY-MATRIX RENORMALIZATION; SOLAR-CELLS; OPTICAL-ABSORPTION; OXIDES AB We study the real-time dynamics of a hole and doubly occupied site pair, namely, a holon and a doublon, in a 1D Hubbard insulator with on-site and nearest-neighbor Coulomb repulsion. Our analysis shows that the pair is long-lived and the expected decay mechanism to underlying spin excitations is actually inefficient. For a nonzero intersite Coulomb repulsion, we observe that part of the wave function remains in a bound state. Our study also provides insight on the holon-doublon propagation in real space. Because of the one-dimensional nature of the problem, these particles move in opposite directions even in the absence of an applied electric field. The potential relevance of our results to solar cell applications is discussed. C1 [Al-Hassanieh, K. A.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Reboredo, F. A.; Gonzalez, I.; Dagotto, E.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Feiguin, A. E.] Univ Maryland, Dept Phys, Condensed Matter Theory Ctr, College Pk, MD 20742 USA. [Feiguin, A. E.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Gonzalez, I.; Dagotto, E.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RP Al-Hassanieh, KA (reprint author), Los Alamos Natl Lab, Div Theoret, POB 1663, Los Alamos, NM 87545 USA. RI Reboredo, Fernando/B-8391-2009 NR 33 TC 31 Z9 31 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 APR 25 PY 2008 VL 100 IS 16 AR 166403 DI 10.1103/PhysRevLett.100.166403 PG 4 WC Physics, Multidisciplinary SC Physics GA 295EK UT WOS:000255457600062 PM 18518228 ER PT J AU de Jonge, MD Homberger, B Holzner, C Legnini, D Paterson, D McNulty, I Jacobsen, C Vogt, S AF de Jonge, M. D. Homberger, B. Holzner, C. Legnini, D. Paterson, D. McNulty, I. Jacobsen, C. Vogt, S. TI Quantitative phase imaging with a scanning transmission x-ray microscope SO PHYSICAL REVIEW LETTERS LA English DT Article ID SYNCHROTRON-RADIATION; CONFIGURED DETECTOR; CONTRAST; TOMOGRAPHY; RECONSTRUCTION; RESOLUTION; STEM AB e obtain quantitative phase reconstructions from differential phase contrast images obtained with a scanning transmission x-ray microscope and 2.5 keV x rays. The theoretical basis of the technique is presented along with measurements and their interpretation. C1 [de Jonge, M. D.; Legnini, D.; Paterson, D.; McNulty, I.; Vogt, S.] Argonne Natl Lab, Argonne, IL 60439 USA. [Homberger, B.; Holzner, C.; Jacobsen, C.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. RP de Jonge, MD (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM martin.dejonge@synchrotron.org.au RI de Jonge, Martin/C-3400-2011; Jacobsen, Chris/E-2827-2015; Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013 OI Jacobsen, Chris/0000-0001-8562-0353; Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513 FU NIBIB NIH HHS [R21 EB006134, R21 EB006134-02] NR 34 TC 50 Z9 50 U1 1 U2 16 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 25 PY 2008 VL 100 IS 16 AR 163902 DI 10.1103/PhysRevLett.100.163902 PG 4 WC Physics, Multidisciplinary SC Physics GA 295EK UT WOS:000255457600032 PM 18518198 ER PT J AU Fennie, CJ AF Fennie, Craig J. TI Ferroelectrically induced weak ferromagnetism by design SO PHYSICAL REVIEW LETTERS LA English DT Article ID AUGMENTED-WAVE METHOD; MULTIFERROICS; POLARIZATION; TEMPERATURE; FILMS AB We present a strategy to design structures for which a polar lattice distortion induces weak ferromagnetism. We identify a large class of multiferroic oxides as potential realizations and use density-functional theory to screen several promising candidates. By elucidating the interplay between the polarization and the Dzyaloshinskii-Moriya vector, we show how the direction of the magnetization can be switched between 180 degrees symmetry equivalent states with an applied electric field. C1 Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Fennie, CJ (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 28 TC 105 Z9 105 U1 2 U2 53 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 25 PY 2008 VL 100 IS 16 AR 167203 DI 10.1103/PhysRevLett.100.167203 PG 4 WC Physics, Multidisciplinary SC Physics GA 295EK UT WOS:000255457600074 PM 18518240 ER PT J AU Girod, FX Niyazov, RA Avakian, H Ball, J Bedlinskiy, I Burkert, VD De Masi, R Elouadrhiri, L Garcon, M Guidal, M Jo, HS Joo, K Kubarovsky, V Kuleshov, SV MacCormick, M Niccolai, S Pogorelko, O Sabatie, F Stepanyan, S Stoler, P Ungaro, M Zhao, B Amaryan, MJ Ambrozewicz, P Anghinolfi, M Asryan, G Bagdasaryan, H Baillie, N Ball, JP Baltzell, NA Batourine, V Battaglieri, M Bellis, M Benmouna, N Berman, BL Biselli, AS Blaszczyk, L Bouchigny, S Boiarinov, S Bradford, R Branford, D Briscoe, WJ Brooks, WK Bultmann, S Butuceanu, C Calarco, JR Careccia, SL Carman, DS Casey, L Chen, S Cheng, L Cole, PL Collins, P Coltharp, P Crabb, D Crede, V Dashyan, N De Sanctis, E De Vita, R Degtyarenko, PV Deur, A Dharmawardane, KV Dickson, R Djalali, C Dodge, GE Donnelly, J Doughty, D Dugger, M Dzyubak, OP Egiyan, H Egiyan, KS El Fassi, L Eugenio, P Fedotov, G Feldman, G Funsten, H Gavalian, G Gilfoyle, GP Giovanetti, KL Goetz, JT Gonenc, A Gothe, RW Griffioen, KA Guler, N Guo, L Gyurjyan, V Hafidi, K Hakobyan, H Hanretty, C Hersman, FW Hicks, K Hleiqawi, I Holtrop, M Hyde, CE Ilieva, Y Ireland, DG Ishkhanov, BS Isupov, EL Ito, MM Jenkins, D Johnstone, JR Juengst, HG Kalantarians, N Kellie, JD Khandaker, M Kim, W Klein, A Klein, FJ Klimenko, AV Kossov, M Krahn, Z Kramer, LH Kuhn, J Kuhn, SE Lachniet, J Laget, JM Langheinrich, J Lawrence, D Lee, T Livingston, K Lu, HY Markov, N Mattione, P Mazouz, M McKinnon, B Mecking, BA Mestayer, MD Meyer, CA Mibe, T Michel, B Mikhailov, K Mirazita, M Miskimen, R Mokeev, V Moriya, K Morrow, SA Moteabbed, M Munevar, E Mutchler, GS Nadel-Turonski, P Nasseripour, R Niculescu, G Niculescu, I Niczyporuk, BB Niroula, MR Nozar, M Osipenko, M Ostrovidov, AI Park, K Pasyuk, E Paterson, C Pereira, SA Pierce, J Pivnyuk, N Pocanic, D Pozdniakov, S Price, JW Procureur, S Prok, Y Protopopescu, D Raue, BA Ricco, G Ripani, M Ritchie, BG Rosner, G Rossi, P Salamanca, J Salgado, C Santoro, JP Sapunenko, V Schumacher, RA Serov, VS Sharabian, YG Sharov, D Shvedunov, NV Smith, ES Smith, LC Sober, DI Sokhan, D Stavinsky, A Stepanyan, SS Stokes, BE Strakovsky, II Strauch, S Taiuti, M Tedeschi, DJ Tkabladze, A Tkachenko, S Tur, C Vineyard, MF Vlassov, AV Voutier, E Watts, DP Weinstein, LB Weygand, DP Williams, M Wolin, E Wood, MH Yegneswaran, A Zana, L Zhang, J Zhao, ZW AF Girod, F. X. Niyazov, R. A. Avakian, H. Ball, J. Bedlinskiy, I. Burkert, V. D. De Masi, R. Elouadrhiri, L. Garcon, M. Guidal, M. Jo, H. S. Joo, K. Kubarovsky, V. Kuleshov, S. V. MacCormick, M. Niccolai, S. Pogorelko, O. Sabatie, F. Stepanyan, S. Stoler, P. Ungaro, M. Zhao, B. Amaryan, M. J. Ambrozewicz, P. Anghinolfi, M. Asryan, G. Bagdasaryan, H. Baillie, N. Ball, J. P. Baltzell, N. A. Batourine, V. Battaglieri, M. Bellis, M. Benmouna, N. Berman, B. L. Biselli, A. S. Blaszczyk, L. Bouchigny, S. Boiarinov, S. Bradford, R. Branford, D. Briscoe, W. J. Brooks, W. K. Bultmann, S. Butuceanu, C. Calarco, J. R. Careccia, S. L. Carman, D. S. Casey, L. Chen, S. Cheng, L. Cole, P. L. Collins, P. Coltharp, P. Crabb, D. Crede, V. Dashyan, N. De Sanctis, E. De Vita, R. Degtyarenko, P. V. Deur, A. Dharmawardane, K. V. Dickson, R. Djalali, C. Dodge, G. E. Donnelly, J. Doughty, D. Dugger, M. Dzyubak, O. P. Egiyan, H. Egiyan, K. S. El Fassi, L. Eugenio, P. Fedotov, G. Feldman, G. Funsten, H. Gavalian, G. Gilfoyle, G. P. Giovanetti, K. L. Goetz, J. T. Gonenc, A. Gothe, R. W. Griffioen, K. A. Guler, N. Guo, L. Gyurjyan, V. Hafidi, K. Hakobyan, H. Hanretty, C. Hersman, F. W. Hicks, K. Hleiqawi, I. Holtrop, M. Hyde, C. E. Ilieva, Y. Ireland, D. G. Ishkhanov, B. S. Isupov, E. L. Ito, M. M. Jenkins, D. Johnstone, J. R. Juengst, H. G. Kalantarians, N. Kellie, J. D. Khandaker, M. Kim, W. Klein, A. Klein, F. J. Klimenko, A. V. Kossov, M. Krahn, Z. Kramer, L. H. Kuhn, J. Kuhn, S. E. Lachniet, J. Laget, J. M. Langheinrich, J. Lawrence, D. Lee, T. Livingston, K. Lu, H. Y. Markov, N. Mattione, P. Mazouz, M. McKinnon, B. Mecking, B. A. Mestayer, M. D. Meyer, C. A. Mibe, T. Michel, B. Mikhailov, K. Mirazita, M. Miskimen, R. Mokeev, V. Moriya, K. Morrow, S. A. Moteabbed, M. Munevar, E. Mutchler, G. S. Nadel-Turonski, P. Nasseripour, R. Niculescu, G. Niculescu, I. Niczyporuk, B. B. Niroula, M. R. Nozar, M. Osipenko, M. Ostrovidov, A. I. Park, K. Pasyuk, E. Paterson, C. Pereira, S. Anefalos Pierce, J. Pivnyuk, N. Pocanic, D. Pozdniakov, S. Price, J. W. Procureur, S. Prok, Y. Protopopescu, D. Raue, B. A. Ricco, G. Ripani, M. Ritchie, B. G. Rosner, G. Rossi, P. Salamanca, J. Salgado, C. Santoro, J. P. Sapunenko, V. Schumacher, R. A. Serov, V. S. Sharabian, Y. G. Sharov, D. Shvedunov, N. V. Smith, E. S. Smith, L. C. Sober, D. I. Sokhan, D. Stavinsky, A. Stepanyan, S. S. Stokes, B. E. Strakovsky, I. I. Strauch, S. Taiuti, M. Tedeschi, D. J. Tkabladze, A. Tkachenko, S. Tur, C. Vineyard, M. F. Vlassov, A. V. Voutier, E. Watts, D. P. Weinstein, L. B. Weygand, D. P. Williams, M. Wolin, E. Wood, M. H. Yegneswaran, A. Zana, L. Zhang, J. Zhao, Z. W. CA CLAS Collaboration TI Measurement of deeply virtual compton scattering beam-spin asymmetries SO PHYSICAL REVIEW LETTERS LA English DT Article ID PARTON DISTRIBUTIONS; NUCLEON; HERA AB The beam-spin asymmetries in the hard exclusive electroproduction of photons on the proton (e(->)p -> ep gamma) were measured over a wide kinematic range and with high statistical accuracy. These asymmetries result from the interference of the Bethe-Heitler process and of deeply virtual Compton scattering. Over the whole kinematic range (x(B) from 0.11 to 0.58, Q(2) from 1 to 4.8 GeV(2), -t from 0.09 to 1.8 GeV(2)), the azimuthal dependence of the asymmetries is compatible with expectations from leading-twist dominance, A similar or equal to a sin phi/(1+c cos phi). This extensive set of data can thus be used to constrain significantly the generalized parton distributions of the nucleon in the valence quark sector. C1 [Girod, F. X.; Ball, J.; De Masi, R.; Garcon, M.; Sabatie, F.; Deur, A.; Morrow, S. A.; Procureur, S.] CEA Saclay, Serv Phys Nucl, F-91191 Gif Sur Yvette, France. [Girod, F. X.; Niyazov, R. A.; Avakian, H.; Burkert, V. D.; Elouadrhiri, L.; Kubarovsky, V.; Stepanyan, S.; Boiarinov, S.; Brooks, W. K.; Carman, D. S.; Degtyarenko, P. V.; Deur, A.; Egiyan, H.; Guo, L.; Gyurjyan, V.; Ito, M. M.; Kramer, L. H.; Laget, J. M.; Mecking, B. A.; Mestayer, M. D.; Mokeev, V.; Niczyporuk, B. B.; Nozar, M.; Prok, Y.; Raue, B. A.; Sapunenko, V.; Sharabian, Y. G.; Smith, E. S.; Weygand, D. P.; Wolin, E.; Yegneswaran, A.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Bedlinskiy, I.; Kuleshov, S. V.; Pogorelko, O.; Kossov, M.; Mikhailov, K.; Pivnyuk, N.; Pozdniakov, S.; Serov, V. S.; Stavinsky, A.; Vlassov, A. V.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [De Masi, R.; Guidal, M.; Jo, H. S.; MacCormick, M.; Niccolai, S.; Bouchigny, S.] Univ Paris 11, IPNO, CNRS, IN2P3, F-91406 Orsay, France. [El Fassi, L.; Hafidi, K.] Argonne Natl Lab, Argonne, IL 60439 USA. [Ball, J. P.; Collins, P.; Dugger, M.; Pasyuk, E.; Ritchie, B. G.] Arizona State Univ, Tempe, AZ 85287 USA. [Goetz, J. T.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. [Price, J. W.] Calif State Univ Dominguez Hills, Carson, CA 90747 USA. [Bellis, M.; Biselli, A. S.; Bradford, R.; Dickson, R.; Krahn, Z.; Kuhn, J.; Lachniet, J.; Meyer, C. A.; Moriya, K.; Schumacher, R. A.; Williams, M.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Casey, L.; Cheng, L.; Klein, F. J.; Santoro, J. P.; Sober, D. I.] Catholic Univ Amer, Washington, DC 20064 USA. [Doughty, D.] Christopher Newport Univ, Newport News, VA 23606 USA. [Joo, K.; Ungaro, M.; Zhao, B.; Doughty, D.; Markov, N.] Univ Connecticut, Storrs, CT 06269 USA. [Branford, D.; Sokhan, D.] Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. [Biselli, A. S.] Fairfield Univ, Fairfield, CT 06824 USA. [Ambrozewicz, P.; Gonenc, A.; Kramer, L. H.; Moteabbed, M.; Nasseripour, R.; Raue, B. A.] Florida Int Univ, Miami, FL 33199 USA. [Blaszczyk, L.; Chen, S.; Coltharp, P.; Crede, V.; Eugenio, P.; Hanretty, C.; Ostrovidov, A. I.; Stokes, B. E.] Florida State Univ, Tallahassee, FL 32306 USA. [Benmouna, N.; Berman, B. L.; Briscoe, W. J.; Feldman, G.; Ilieva, Y.; Juengst, H. G.; Munevar, E.; Nadel-Turonski, P.; Strakovsky, I. I.; Strauch, S.] George Washington Univ, Washington, DC 20052 USA. [Donnelly, J.; Ireland, D. G.; Johnstone, J. R.; Kellie, J. D.; Livingston, K.; McKinnon, B.; Paterson, C.; Protopopescu, D.; Rosner, G.; Watts, D. P.] Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. [Cole, P. L.; Salamanca, J.] Idaho State Univ, Pocatello, ID 83209 USA. [De Sanctis, E.; Mirazita, M.; Pereira, S. Anefalos; Rossi, P.; Salgado, C.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Anghinolfi, M.; Battaglieri, M.; De Vita, R.; Osipenko, M.; Ricco, G.; Ripani, M.; Taiuti, M.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Giovanetti, K. L.; Niculescu, G.; Niculescu, I.] James Madison Univ, Harrisonburg, VA 22807 USA. [Batourine, V.; Kim, W.; Stepanyan, S. S.] Kyungpook Natl Univ, Taegu 702701, South Korea. [Hyde, C. E.; Michel, B.] Univ Clermont Ferrand, CNRS IN2P3, LPC Clermont Ferrand, F-63177 Clermont Ferrand, France. [Mazouz, M.; Voutier, E.] Univ Grenoble 1, CNRS IN2P3, LPSC, F-38026 St Martin Dheres, France. [Lawrence, D.; Miskimen, R.] Univ Massachusetts, Amherst, MA 01003 USA. [Fedotov, G.; Ishkhanov, B. S.; Isupov, E. L.; Mokeev, V.; Osipenko, M.; Sharov, D.; Shvedunov, N. V.] Moscow MV Lomonosov State Univ, Gen Nucl Phys Inst, Moscow 119899, Russia. [Calarco, J. R.; Hersman, F. W.; Holtrop, M.; Lee, T.; Zana, L.] Univ New Hampshire, Durham, NH 03824 USA. [Baillie, N.; Khandaker, M.] Norfolk State Univ, Norfolk, VA 23504 USA. [Hicks, K.; Hleiqawi, I.; Mibe, T.; Tkabladze, A.] Ohio Univ, Athens, OH 45701 USA. [Amaryan, M. J.; Bagdasaryan, H.; Bultmann, S.; Careccia, S. L.; Dharmawardane, K. V.; Dodge, G. E.; Gavalian, G.; Guler, N.; Hyde, C. E.; Juengst, H. G.; Kalantarians, N.; Klein, A.; Klimenko, A. V.; Kuhn, S. E.; Lachniet, J.; Niroula, M. R.; Tkachenko, S.; Weinstein, L. B.; Zhang, J.] Old Dominion Univ, Norfolk, VA 23529 USA. [Niyazov, R. A.; Kubarovsky, V.; Stoler, P.] Rensselaer Polytech Inst, Troy, NY 12180 USA. [Mattione, P.; Mutchler, G. S.] Rice Univ, Houston, TX 77005 USA. [Gilfoyle, G. P.] Univ Richmond, Richmond, VA 23173 USA. [Baltzell, N. A.; Djalali, C.; Dzyubak, O. P.; Gothe, R. W.; Langheinrich, J.; Lu, H. Y.; Nasseripour, R.; Park, K.; Strauch, S.; Tedeschi, D. J.; Tur, C.; Wood, M. H.; Zhao, Z. W.] Univ S Carolina, Columbia, SC 29208 USA. [Vineyard, M. F.] Union Coll, Schenectady, NY 12308 USA. [Jenkins, D.] Virginia Polytech Inst & State Univ, Blacksburg, VA 24061 USA. [Crabb, D.; Pierce, J.; Pocanic, D.; Prok, Y.; Smith, L. C.] Univ Virginia, Charlottesville, VA 22901 USA. [Butuceanu, C.; Funsten, H.; Griffioen, K. A.] Coll William & Mary, Williamsburg, VA 23187 USA. [Asryan, G.; Dashyan, N.; Egiyan, K. S.; Hakobyan, H.] Yerevan Phys Inst, Yerevan 375036, Armenia. RP Girod, FX (reprint author), CEA Saclay, Serv Phys Nucl, F-91191 Gif Sur Yvette, France. RI Zana, Lorenzo/H-3032-2012; Isupov, Evgeny/J-2976-2012; Ishkhanov, Boris/E-1431-2012; Zhao, Bo/J-6819-2012; Brooks, William/C-8636-2013; Protopopescu, Dan/D-5645-2012; Kuleshov, Sergey/D-9940-2013; Schumacher, Reinhard/K-6455-2013; Meyer, Curtis/L-3488-2014; Ireland, David/E-8618-2010; Lu, Haiyun/B-4083-2012; Sabatie, Franck/K-9066-2015; Osipenko, Mikhail/N-8292-2015; Zhang, Jixie/A-1461-2016; OI Zhao, Bo/0000-0003-3171-5335; Brooks, William/0000-0001-6161-3570; Kuleshov, Sergey/0000-0002-3065-326X; Schumacher, Reinhard/0000-0002-3860-1827; Meyer, Curtis/0000-0001-7599-3973; Ireland, David/0000-0001-7713-7011; Sabatie, Franck/0000-0001-7031-3975; Osipenko, Mikhail/0000-0001-9618-3013; RIPANI, Maurizio/0000-0003-4450-8511; Sapunenko, Vladimir/0000-0003-1877-9043; Hyde, Charles/0000-0001-7282-8120; Bellis, Matthew/0000-0002-6353-6043 NR 30 TC 110 Z9 110 U1 0 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 25 PY 2008 VL 100 IS 16 AR 162002 DI 10.1103/PhysRevLett.100.162002 PG 6 WC Physics, Multidisciplinary SC Physics GA 295EK UT WOS:000255457600022 PM 18518188 ER PT J AU Im, MY Lee, SH Kim, DH Fischer, P Shin, SC AF Im, M. -Y. Lee, S. -H. Kim, D. -H. Fischer, P. Shin, S. -C. TI Scaling behavior of the first arrival time of a random-walking magnetic domain SO PHYSICAL REVIEW LETTERS LA English DT Article ID BROWNIAN-MOTION; POWER LAWS; MICROSCOPE; DYNAMICS; WALL AB We report a universal scaling behavior of the first arrival time of a traveling magnetic domain wall into a finite space-time observation window of a magneto-optical microscope enabling direct visualization of a Barkhausen avalanche in real time. The first arrival time of the traveling magnetic domain wall exhibits a nontrivial fluctuation and its statistical distribution is described by universal power-law scaling with scaling exponents of 1.34 +/- 0.07 for CoCr and CoCrPt films, despite their quite different domain evolution patterns. Numerical simulation of the first arrival time with an assumption that the magnetic domain wall traveled as a random walker well matches our experimentally observed scaling behavior, providing an experimental support for the random-walking model of traveling magnetic domain walls. C1 [Im, M. -Y.; Lee, S. -H.; Shin, S. -C.] Korea Adv Inst Sci & Technol, Dept Phys, Taejon 305701, South Korea. [Im, M. -Y.; Lee, S. -H.; Shin, S. -C.] Korea Adv Inst Sci & Technol, Ctr Nanospin Spintron Mat, Taejon 305701, South Korea. [Im, M. -Y.; Fischer, P.] Lawrence Berkeley Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. [Kim, D. -H.] Chungbuk Natl Univ, Dept Phys, Chungbuk 361763, South Korea. RP Im, MY (reprint author), Korea Adv Inst Sci & Technol, Dept Phys, Taejon 305701, South Korea. RI Fischer, Peter/A-3020-2010; Shin, Sung-Chul/C-1992-2011; Kim, Dong-Hyun/F-7195-2012; MSD, Nanomag/F-6438-2012 OI Fischer, Peter/0000-0002-9824-9343; NR 24 TC 11 Z9 11 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 APR 25 PY 2008 VL 100 IS 16 AR 167204 DI 10.1103/PhysRevLett.100.167204 PG 4 WC Physics, Multidisciplinary SC Physics GA 295EK UT WOS:000255457600075 PM 18518241 ER PT J AU Lloveras, P Castan, T Porta, M Planes, A Saxena, A AF Lloveras, Pol Castan, Teresa Porta, Marcel Planes, Antoni Saxena, Avadh TI Influence of elastic anisotropy on structural nanoscale textures SO PHYSICAL REVIEW LETTERS LA English DT Article ID SHAPE-MEMORY ALLOYS; MARTENSITIC TRANSFORMATIONS; MICROSCOPY AB We study the influence of elastic anisotropy on nanoscale precursor textures that exist in some shape-memory alloys and show that tweed occurs in the limit of high elastic anisotropy while a nanocluster phase-separated state occurs for values of anisotropy inhibiting the formation of martensite. These results are consistent with specific heat data, elastic constant measurements, and zero-field cooling or field cooling experiments in nonstoichiometric NiTi alloys. C1 [Lloveras, Pol; Castan, Teresa; Porta, Marcel; Planes, Antoni] Univ Barcelona, Dept Estructura & Constituents Mat, E-08028 Barcelona, Catalonia, Spain. [Lloveras, Pol; Castan, Teresa; Porta, Marcel; Planes, Antoni; Saxena, Avadh] Univ Barcelona, Inst Nanociencia & Nantecnol, Barcelona, Spain. [Saxena, Avadh] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Lloveras, P (reprint author), Univ Barcelona, Dept Estructura & Constituents Mat, Diagonal 647, E-08028 Barcelona, Catalonia, Spain. RI Lloveras, Pol/M-3775-2014; Planes, Antoni/O-1904-2015; OI Lloveras, Pol/0000-0003-4133-2223; Planes, Antoni/0000-0001-5213-5714; Porta Tena, Marcel/0000-0001-7582-9671 NR 21 TC 52 Z9 55 U1 1 U2 20 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 APR 25 PY 2008 VL 100 IS 16 AR 165707 DI 10.1103/PhysRevLett.100.165707 PG 4 WC Physics, Multidisciplinary SC Physics GA 295EK UT WOS:000255457600058 PM 18518224 ER PT J AU Mishchenko, AS Nagaosa, N Shen, ZX De Filippis, G Cataudella, V Devereaux, TP Bernhard, C Kim, KW Zaanen, J AF Mishchenko, A. S. Nagaosa, N. Shen, Z. -X. De Filippis, G. Cataudella, V. Devereaux, T. P. Bernhard, C. Kim, K. W. Zaanen, J. TI Charge dynamics of doped holes in high T(c) cuprate superconductors: A clue from optical conductivity SO PHYSICAL REVIEW LETTERS LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTORS; J-MODEL; HEISENBERG-ANTIFERROMAGNET; QUANTUM ANTIFERROMAGNET; EXCITATIONS; HUBBARD; LATTICE; OXIDES AB The charge dynamics in weakly hole doped high temperature superconductors is studied in terms of the accurate numerical solution to a model of a single hole interacting with a quantum lattice in an antiferromagnetic background, and accurate far-infrared ellipsometry measurements. The experimentally observed two electronic bands in the infrared spectrum can be identified in terms of the interplay between the electron correlation and electron-phonon interaction resolving the long standing mystery of the midinfrared band. C1 [Mishchenko, A. S.; Nagaosa, N.] RIKEN, CMRG, Wako, Saitama 3510198, Japan. [Mishchenko, A. S.] RRC Kurchatov Inst, Moscow 123182, Russia. [Nagaosa, N.] Univ Tokyo, Dept Appl Phys, Tokyo 113, Japan. [Shen, Z. -X.; Devereaux, T. P.] Stanford Univ, Dept Phys Appl Phys, Stanford, CA 94305 USA. [Shen, Z. -X.; Devereaux, T. P.] Stanford Univ, Stanford Synchrotron Radiat Lab, Stanford, CA 94305 USA. [De Filippis, G.; Cataudella, V.] Univ Naples Federico 2, Coherentia CNR INFM, I-80126 Naples, Italy. [De Filippis, G.; Cataudella, V.] Univ Naples Federico 2, Dipartimento Sci Fis, I-80126 Naples, Italy. [Devereaux, T. P.] Univ Waterloo, Dept Phys, Waterloo, ON N2L 3GI, Canada. [Bernhard, C.; Kim, K. W.] Univ Fribourg, Dept Phys, CH-1700 Fribourg, Switzerland. [Bernhard, C.; Kim, K. W.] Univ Fribourg, Fribourg Ctr Nanomat, CH-1700 Fribourg, Switzerland. [Zaanen, J.] Leiden Univ, Inst Lorentz Theoret Phys, NL-2300 RA Leiden, Netherlands. RP Mishchenko, AS (reprint author), RIKEN, CMRG, 2-1 Hirosawa, Wako, Saitama 3510198, Japan. RI Kim, Kyungwan/A-9242-2012; Nagaosa, Naoto/G-7057-2012; Cataudella, Vittorio /B-4164-2015; Mishchenko, Andrey/A-1286-2010; OI Kim, Kyungwan/0000-0003-3833-5378; Cataudella, Vittorio /0000-0002-1835-1429; Mishchenko, Andrey/0000-0002-7626-7567; DE FILIPPIS, Giulio/0000-0003-0557-3556 NR 41 TC 57 Z9 57 U1 0 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 APR 25 PY 2008 VL 100 IS 16 AR 166401 DI 10.1103/PhysRevLett.100.166401 PG 4 WC Physics, Multidisciplinary SC Physics GA 295EK UT WOS:000255457600060 PM 18518226 ER PT J AU Opeil, CP Mihaila, B Schulze, RK Manosa, L Planes, A Hults, WL Fisher, RA Riseborough, PS Littlewood, PB Smith, JL Lashley, JC AF Opeil, C. P. Mihaila, B. Schulze, R. K. Manosa, L. Planes, A. Hults, W. L. Fisher, R. A. Riseborough, P. S. Littlewood, P. B. Smith, J. L. Lashley, J. C. TI Combined experimental and theoretical investigation of the premartensitic transition in Ni(2)MnGa SO PHYSICAL REVIEW LETTERS LA English DT Article ID ELECTRONIC-STRUCTURE; TRANSFORMATION; ALLOYS; STATE; HEAT AB Ultraviolet-photoemission (UPS) measurements and supporting specific-heat, thermal-expansion, resistivity, and magnetic-moment measurements are reported for the magnetic shape-memory alloy Ni(2)MnGa over the temperature range 100T(PM) is due to the Ni d minority-spin electrons. Below T(M) this peak disappears, resulting in an enhanced density of states at energies around 0.8 eV. This enhancement reflects Ni d and Mn d electronic contributions to the majority-spin density of states. C1 [Opeil, C. P.] Boston Coll, Dept Phys, Chestnut Hill, MA 02467 USA. [Mihaila, B.; Schulze, R. K.; Hults, W. L.; Fisher, R. A.; Smith, J. L.; Lashley, J. C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Manosa, L.; Planes, A.] Univ Barcelona, Fac Fis, Dept Estructura & Constituents Mat, E-08028 Barcelona, Catalonia, Spain. [Riseborough, P. S.] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA. [Littlewood, P. B.] Cavendish Lab, Cambridge CB3 0HE, England. RP Opeil, CP (reprint author), Boston Coll, Dept Phys, 140 Commonwealth Ave, Chestnut Hill, MA 02467 USA. RI Cavendish, TCM/C-9489-2009; Riseborough, Peter/D-4689-2011; Littlewood, Peter/B-7746-2008; Mihaila, Bogdan/D-8795-2013; Manosa, Lluis/D-8579-2014; Planes, Antoni/O-1904-2015; OI Mihaila, Bogdan/0000-0002-1489-8814; Manosa, Lluis/0000-0002-1182-2670; Planes, Antoni/0000-0001-5213-5714; Schulze, Roland/0000-0002-6601-817X NR 36 TC 70 Z9 72 U1 2 U2 29 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 25 PY 2008 VL 100 IS 16 AR 165703 DI 10.1103/PhysRevLett.100.165703 PG 4 WC Physics, Multidisciplinary SC Physics GA 295EK UT WOS:000255457600054 PM 18518220 ER PT J AU Reichhardt, C Reichhardt, CJO AF Reichhardt, C. Reichhardt, C. J. Olson TI Spontaneous transverse response and amplified switching in superconductors with honeycomb pinning arrays SO PHYSICAL REVIEW LETTERS LA English DT Article ID FILMS; DYNAMICS; DENSITY; DEFECTS AB Using numerical simulations, we show that a novel spontaneous transverse response can appear when a longitudinal drive is applied to type-II superconductors with honeycomb pinning arrays in a magnetic field near certain filling fractions. This response is generated by dynamical symmetry breaking that occurs at fields away from commensurability. We find a coherent strongly amplified transverse switching effect when an additional transverse ac drive is applied. The transverse ac drive can also be used to control switching in the longitudinal velocity response. We discuss how these effects could be used to create new types of devices such as current effect transistors. C1 [Reichhardt, C.; Reichhardt, C. J. Olson] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Reichhardt, C (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. OI Reichhardt, Cynthia/0000-0002-3487-5089 NR 24 TC 13 Z9 13 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 25 PY 2008 VL 100 IS 16 AR 167002 DI 10.1103/PhysRevLett.100.167002 PG 4 WC Physics, Multidisciplinary SC Physics GA 295EK UT WOS:000255457600071 PM 18518237 ER PT J AU Walsh, A Da Silva, JLF Wei, SH Korber, C Klein, A Piper, LFJ DeMasi, A Smith, KE Panaccione, G Torelli, P Payne, DJ Bourlange, A Egdell, RG AF Walsh, Aron Da Silva, Juarez L. F. Wei, Su-Huai Koerber, C. Klein, A. Piper, L. F. J. DeMasi, Alex Smith, Kevin E. Panaccione, G. Torelli, P. Payne, D. J. Bourlange, A. Egdell, R. G. TI Nature of the band gap of In2O3 revealed by first-principles calculations and x-ray spectroscopy SO PHYSICAL REVIEW LETTERS LA English DT Article ID SN-DOPED IN2O3; OPTICAL-PROPERTIES; FILMS; OXIDE; SURFACES AB Bulk and surface sensitive x-ray spectroscopic techniques are applied in tandem to show that the valence band edge for In2O3 is found significantly closer to the bottom of the conduction band than expected on the basis of the widely quoted bulk band gap of 3.75 eV. First-principles theory shows that the upper valence bands of In2O3 exhibit a small dispersion and the conduction band minimum is positioned at Gamma. However, direct optical transitions give a minimal dipole intensity until 0.8 eV below the valence band maximum. The results set an upper limit on the fundamental band gap of 2.9 eV. C1 [Walsh, Aron; Da Silva, Juarez L. F.; Wei, Su-Huai] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Koerber, C.; Klein, A.] Tech Univ Darmstadt, D-64287 Darmstadt, Germany. [Piper, L. F. J.; DeMasi, Alex; Smith, Kevin E.] Boston Univ, Dept Phys, Boston, MA 02215 USA. [Panaccione, G.] CNR, INFM, Lab TASC, I-34012 Trieste, Italy. [Torelli, P.] CNR, INFM, S3, I-41100 Modena, Italy. [Payne, D. J.; Bourlange, A.; Egdell, R. G.] Univ Oxford, Chem Res Lab, Oxford OX1 3TA, England. RP Walsh, A (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM aron_walsh@nrel.gov RI Walsh, Aron/A-7843-2008; Piper, Louis/C-2960-2011; Klein, Andreas/E-6081-2010; Payne, David/C-2117-2011; Torelli, Piero /F-8940-2010; Da Silva, Juarez L. F./B-5961-2008; Payne, David/C-2148-2014; Da Silva, Juarez L. F./D-1779-2011; OI Walsh, Aron/0000-0001-5460-7033; Piper, Louis/0000-0002-3421-3210; Klein, Andreas/0000-0001-7463-1495; Payne, David/0000-0002-2120-6679; Da Silva, Juarez L. F./0000-0003-0645-8760; TORELLI, PIERO/0000-0001-9300-9685 NR 29 TC 335 Z9 337 U1 12 U2 156 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 25 PY 2008 VL 100 IS 16 AR 167402 DI 10.1103/PhysRevLett.100.167402 PG 4 WC Physics, Multidisciplinary SC Physics GA 295EK UT WOS:000255457600080 PM 18518246 ER PT J AU Xiang, HJ Wei, SH Whangbo, MH AF Xiang, H. J. Wei, Su-Huai Whangbo, M. -H. TI Origin of the structural and magnetic anomalies of the layered compound SrFeO2: A density functional investigation SO PHYSICAL REVIEW LETTERS LA English DT Article ID TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; BASIS-SET; OXIDE; SEMICONDUCTORS; FERROMAGNETISM; PERFORMANCE; IONS; GAS AB The structural and magnetic anomaly of the layered compound SrFeO2 are examined by first-principles density functional calculations and Monte Carlo simulations. The down-spin Fe 3d electron occupies the d(z)(2) level rather than the degenerate (d(xz), d(yz)) levels, which explains the absence of a Jahn-Teller instability, the easy ab-plane magnetic anisotropy, and the observed three-dimensional (0.5, 0.5, 0.5) antiferromagnetic order. Monte Carlo simulations show that the strong interlayer spin exchange is essential for the high Neel temperature. C1 [Xiang, H. J.; Wei, Su-Huai] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Whangbo, M. -H.] N Carolina State Univ, Dept Chem, Raleigh, NC 27695 USA. RP Xiang, HJ (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. RI Xiang, Hongjun/A-4076-2008; Xiang, Hongjun/I-4305-2016 OI Xiang, Hongjun/0000-0002-9396-3214 NR 26 TC 76 Z9 76 U1 3 U2 34 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 25 PY 2008 VL 100 IS 16 AR 167207 DI 10.1103/PhysRevLett.100.167207 PG 4 WC Physics, Multidisciplinary SC Physics GA 295EK UT WOS:000255457600078 PM 18518244 ER PT J AU Ritchie, RO AF Ritchie, Robert O. TI The quest for stronger, tougher materials SO SCIENCE LA English DT Letter C1 Univ Calif Berkeley, Div Mat Sci, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Ritchie, RO (reprint author), Univ Calif Berkeley, Div Mat Sci, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM roritchie@lbl.gov RI Ritchie, Robert/A-8066-2008 OI Ritchie, Robert/0000-0002-0501-6998 NR 3 TC 18 Z9 18 U1 2 U2 25 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 25 PY 2008 VL 320 IS 5875 BP 448 EP 448 PG 1 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 292EM UT WOS:000255249300015 PM 18436757 ER PT J AU Endrino, JL Galindo, RE Zhang, HS Allen, M Gago, R Espinosa, A Anders, A AF Endrino, J. L. Galindo, R. Escobar Zhang, H. -S. Allen, M. Gago, R. Espinosa, A. Anders, A. TI Structure and properties of silver-containing a-C(H) films deposited by plasma immersion ion implantation SO SURFACE & COATINGS TECHNOLOGY LA English DT Article DE plasma immersion ion implantation; amorphous carbon; silver; X-ray absorption spectroscopy; Raman; nanoindentation; cell viability ID DIAMOND-LIKE CARBON; PULSED-LASER DEPOSITION; AMORPHOUS-CARBON; DLC COATINGS; MECHANICAL-PROPERTIES; BIOLOGICAL-FLUIDS; IN-VITRO; AG; ADHESION; MICROSTRUCTURE AB In this study, we have grown silver-containing hydrogenated (a-C:H) and non-hydrogenated (a-C) amorphous carbon coatings by two plasma immersion ion implantation methods: I) chemical vapor deposition of methane combined with pulsed filtered cathodic are deposition of silver, and II) by alternating are pulses from graphite and silver in a dual cathodic arc plasma source. This unique "bias selective" feature of the deposition system allowed the deposition of silver with the substrates at ground and avoided the sputtering of the grown a-C film. Chemical composition of the samples was analyzed by acquiring their compositional depth-profiles using radio-frequency Glow Discharge Optical Emission Spectroscopy (rf-GDOES), while the microstructural properties were analyzed by X-ray absorption near edge spectroscopy (XANES) and Raman spectroscopy. In this contribution, we compare mechanical and biomedical properties by means of nanoindentation and cell viability tests, respectively, of a-C(H) films obtained by two different plasma immersion ion implantation techniques. (C) 2008 Elsevier B.V. All rights reserved. C1 [Endrino, J. L.; Anders, A.] Lawrence Berkeley Natl Lab, Plasma Applicat Grp, Berkeley, CA 94720 USA. [Zhang, H. -S.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Endrino, J. L.; Galindo, R. Escobar; Gago, R.; Espinosa, A.] CSIC, Inst Ciencias Mat Madrid, E-28049 Madrid, Spain. [Allen, M.] SUNY Upstate Med Univ, Syracuse, NY 13210 USA. [Gago, R.] Univ Autonoma Madrid, Ctr Microanal Mat, E-28049 Madrid, Spain. RP Endrino, JL (reprint author), Lawrence Berkeley Natl Lab, Plasma Applicat Grp, Berkeley, CA 94720 USA. EM JLEndrino@lbl.com RI Espinosa, Ana/G-9162-2011; Endrino, Jose/G-1103-2011; Gago, Raul/C-6762-2008; Escobar Galindo, Ramon/B-1886-2010; Anders, Andre/B-8580-2009; OI Gago, Raul/0000-0003-4388-8241; Anders, Andre/0000-0002-5313-6505; Espinosa, Ana/0000-0002-5626-6129; Endrino, Jose/0000-0002-3084-7910 NR 34 TC 55 Z9 55 U1 5 U2 14 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0257-8972 J9 SURF COAT TECH JI Surf. Coat. Technol. PD APR 25 PY 2008 VL 202 IS 15 BP 3675 EP 3682 DI 10.1016/j.surfcoat.2008.01.011 PG 8 WC Materials Science, Coatings & Films; Physics, Applied SC Materials Science; Physics GA 295RX UT WOS:000255492700031 ER PT J AU Gregg, JS Andres, RJ Marland, G AF Gregg, Jay S. Andres, Robert J. Marland, Gregg TI China: Emissions pattern of the world leader in CO2 emissions from fossil fuel consumption and cement production SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID STATISTICS AB Release of carbon dioxide (CO2) from fossil fuel combustion and cement manufacture is the primary anthropogenic driver of climate change. Our best estimate is that China became the largest national source of CO2 emissions during 2006. Previously, the United States (US) had occupied that position. However, the annual emission rate in the US has remained relatively stable between 2001 2006 while the emission rate in China has more than doubled, apparently eclipsing that of the US in late 2006. Here we present the seasonal and spatial pattern of CO2 emissions in China, as well as the sectoral breakdown of emissions. Though our best point estimate places China in the lead position in terms of CO2 emissions, we qualify this statement in a discussion of the uncertainty in the underlying data (3-5% for the US; 15-20% for China). Finally, we comment briefly on the implications of China's new position with respect to international agreements to mitigate climate change. C1 [Gregg, Jay S.] Univ Maryland, Dept Geog, College Pk, MD 20742 USA. [Andres, Robert J.; Marland, Gregg] Oak Ridge Natl Lab, Div Environm Studies, Oak Ridge, TN 37831 USA. [Marland, Gregg] Int Inst Appl Syst Anal, A-2361 Laxenburg, Austria. RP Gregg, JS (reprint author), Univ Maryland, Dept Geog, College Pk, MD 20742 USA. EM gregg.jay@gmail.com RI Gregg, Jay/C-6732-2011; ANDRES, ROBERT/B-9786-2012; OI Gregg, Jay/0000-0003-3946-3099; ANDRES, ROBERT/0000-0001-8781-4979 NR 24 TC 141 Z9 151 U1 3 U2 41 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 APR 24 PY 2008 VL 35 IS 8 AR L08806 DI 10.1029/2007GL032887 PG 5 WC Geosciences, Multidisciplinary SC Geology GA 295EU UT WOS:000255458600002 ER PT J AU Harp, DR Dai, ZX Wolfsberg, AV Vrugt, JA Robinson, BA Vesselinov, VV AF Harp, Dylan R. Dai, Zhenxue Wolfsberg, Andrew V. Vrugt, Jasper A. Robinson, Bruce A. Vesselinov, Velimir V. TI Aquifer structure identification using stochastic inversion SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID PARAMETERS; FLOW AB This study presents a stochastic inverse method for aquifer structure identification using sparse geophysical and hydraulic response data. The method is based on updating structure parameters from a transition probability model to iteratively modify the aquifer structure and parameter zonation. The method is extended to the adaptive parameterization of facies hydraulic parameters by including these parameters as optimization variables. The stochastic nature of the statistical structure parameters leads to nonconvex objective functions. A multi-method genetically adaptive evolutionary approach (AMALGAM-SO) was selected to perform the inversion given its search capabilities. Results are obtained as a probabilistic assessment of facies distribution based on indicator cokriging simulation of the optimized structural parameters. The method is illustrated by estimating the structure and facies hydraulic parameters of a synthetic example with a transient hydraulic response. C1 [Harp, Dylan R.; Dai, Zhenxue; Wolfsberg, Andrew V.; Vesselinov, Velimir V.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Robinson, Bruce A.] Los Alamos Natl Lab, Civilian Nucl Programs, Los Alamos, NM 87545 USA. [Vrugt, Jasper A.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Harp, Dylan R.] Univ New Mexico, Dept Civil Engn, Albuquerque, NM 87131 USA. RP Harp, DR (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. EM dharp@lanl.gov RI Vrugt, Jasper/C-3660-2008; Robinson, Bruce/F-6031-2010; Harp, Dylan/B-4682-2011; Vesselinov, Velimir/P-4724-2016; OI Vesselinov, Velimir/0000-0002-6222-0530; Harp, Dylan/0000-0001-9777-8000; Dai, Zhenxue/0000-0002-0805-7621 NR 14 TC 23 Z9 23 U1 0 U2 8 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 APR 24 PY 2008 VL 35 IS 8 AR L08404 DI 10.1029/2008GL033585 PG 5 WC Geosciences, Multidisciplinary SC Geology GA 295EU UT WOS:000255458600006 ER PT J AU Rijssenbeek, J Gao, Y Hanson, J Huang, Q Jones, C Toby, B AF Rijssenbeek, Job Gao, Yan Hanson, Jonathan Huang, Qingzhen Jones, Camille Toby, Brian TI Crystal structure determination and reaction pathway of amide-hydride mixtures SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE hydrogen storage materials; crystal structure; order-disorder effects; X-ray diffraction; neutron diffraction ID HYDROGEN STORAGE-SYSTEM; X-RAY-DIFFRACTION; LI2NH; LIH; IMIDES; H-2 AB Combined synchrotron in situ X-ray diffraction and neutron dif fraction studies were performed on 2:1 mixtures of lithium amide and magnesium hydride, which have shown promise as solid-state hydrogen storage materials. The dehydrogenated product is a mixed lithium and magnesium imide, Li2Mg(NH)(2), whose crystal structure has not heretofore been determined. Furthermore, at elevated temperatures, Li2Mg(NH)(2) undergoes two structural transitions from an orthorhombic structure to a primitive cubic structure at intermediate temperature (350 degrees C) followed by a face-centered cubic crystal structure at high temperature (500 degrees C). Disordering of the Li, Mg and cation vacancies as a function of temperature drives the structural transitions. We report the reaction pathway from in situ X-ray diffraction studies and the crystal structures of the three structural variants of Li2Mg(NH)(2) as determined by high-resolution X-ray and neutron powder diffraction. We also report the hydrogen storage reaction pathways for mixtures with other cation. ratios. (c) 2006 Elsevier B.V. All rights reserved. C1 [Rijssenbeek, Job; Gao, Yan] Ge Global Res, Niskayuna, NY 12309 USA. [Hanson, Jonathan] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Huang, Qingzhen; Jones, Camille; Toby, Brian] Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA. RP Rijssenbeek, J (reprint author), Ge Global Res, 1 Res Circle, Niskayuna, NY 12309 USA. EM rijssenb@research.ge.com RI Hanson, jonathan/E-3517-2010; Mahalingam, Arjun/G-8586-2011; Toby, Brian/F-3176-2013 OI Toby, Brian/0000-0001-8793-8285 NR 24 TC 84 Z9 87 U1 0 U2 26 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD APR 24 PY 2008 VL 454 IS 1-2 BP 233 EP 244 DI 10.1016/j.jallcom.2006.12.008 PG 12 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 291RR UT WOS:000255215000044 ER PT J AU Blackburn, JL Parilla, PA Gennett, T Hurst, KE Dillon, AC Heben, MJ AF Blackburn, Jeff L. Parilla, Philip A. Gennett, Thomas Hurst, Katherine E. Dillon, Anne C. Heben, Michael J. TI Measurement of the reversible hydrogen storage capacity of milligram Ti-6Al-4V alloy samples with temperature programmed desorption and volumetric techniques SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE hydrogen absorbing materials; metal hydrides; titanium; Ti-6Al-4V; temperature programmed desorption ID TI; ABSORPTION; TITANIUM AB We report the results of a study using temperature programmed desorption (TPD) and a volumetric sorption technique to measure the hydrogen storage capacity of the Ti-6Al-4V alloy. Samples of various sizes and surface treatments were studied to obtain a statistically meaningful value for the maximum hydrogen storage capacity, as well as to understand the effect of sample size, sample oxidation, and hydrogen charging conditions on the measured capacity. We find a maximum reversible hydrogen storage capacity of similar to 3.76 wt% with hydrogen exposures near ambient temperature and pressure. This value is higher than any reported in the literature previously, possibly due to the utilization of very small particles and rapid hydrogen exposures, which allow for equilibration times of approximately I h. Comparison of a variety of samples indicates that the measured hydrogen capacity is affected by surface oxidation. Samples generated in a strongly oxidizing environment exhibit decreased hydrogen uptake. The implications of these results are discussed with regards to previously reported capacity values in the literature. (C) 2007 Elsevier B.V. All rights reserved. C1 [Blackburn, Jeff L.; Parilla, Philip A.; Dillon, Anne C.; Heben, Michael J.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Gennett, Thomas] Rochester Inst Technol, Dept Chem, Rochester, NY 14623 USA. [Hurst, Katherine E.] Natl Inst Stand, Boulder, CO 80305 USA. RP Blackburn, JL (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM jeffrey_blackburn@nrel.gov RI Blackburn, Jeffrey/D-7344-2012 NR 18 TC 14 Z9 14 U1 0 U2 6 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD APR 24 PY 2008 VL 454 IS 1-2 BP 483 EP 490 DI 10.1016/j.jallcom.2007.01.006 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 291RR UT WOS:000255215000086 ER PT J AU Maggi, F Gu, C Riley, WJ Hornberger, GM Venterea, RT Xu, T Spycher, N Steefel, C Miller, NL Oldenburg, CM AF Maggi, F. Gu, C. Riley, W. J. Hornberger, G. M. Venterea, R. T. Xu, T. Spycher, N. Steefel, C. Miller, N. L. Oldenburg, C. M. TI A mechanistic treatment of the dominant soil nitrogen cycling processes: Model development, testing, and application SO JOURNAL OF GEOPHYSICAL RESEARCH-BIOGEOSCIENCES LA English DT Article ID MOLAL THERMODYNAMIC PROPERTIES; FERTILIZER APPLICATION; AGRICULTURAL FIELDS; OXIDE EMISSIONS; N2O EMISSIONS; CONCEPTUAL-MODEL; GAS EMISSIONS; NO EMISSIONS; DENITRIFICATION; SIMULATION AB The development and initial application of a mechanistic model ( TOUGHREACT-N) designed to characterize soil nitrogen ( N) cycling and losses are described. The model couples advective and diffusive nutrient transport, multiple microbial biomass dynamics, and equilibrium and kinetic chemical reactions. TOUGHREACT-N was calibrated and tested against field measurements to assess pathways of N loss as either gas emission or solute leachate following fertilization and irrigation in a Central Valley, California, agricultural field as functions of fertilizer application rate and depth, and irrigation water volume. Our results, relative to the period before plants emerge, show that an increase in fertilizer rate produced a nonlinear response in terms of N losses. An increase of irrigation volume produced NO(2)(-) and NO(3)(-) leaching, whereas an increase in fertilization depth mainly increased leaching of all N solutes. In addition, nitrifying bacteria largely increased in mass with increasing fertilizer rate. Increases in water application caused nitrifiers and denitrifiers to decrease and increase their mass, respectively, while nitrifiers and denitrifiers reversed their spatial stratification when fertilizer was applied below 15 cm depth. Coupling aqueous advection and diffusion, and gaseous diffusion with biological processes, closely captured actual conditions and, in the system explored here, significantly clarified interpretation of field measurements. C1 [Maggi, F.; Gu, C.] Univ Calif Berkeley, Berkeley Water Ctr, Berkeley, CA 94720 USA. [Riley, W. J.; Xu, T.; Spycher, N.; Steefel, C.; Miller, N. L.; Oldenburg, C. M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Hornberger, G. M.] Univ Virginia, Dept Environm Sci, Charlottesville, VA 22904 USA. [Venterea, R. T.] USDA ARS, Soil & Water Management Res Unit, St Paul, MN 55108 USA. RP Maggi, F (reprint author), Univ Calif Berkeley, Berkeley Water Ctr, 413 Obrien Hall, Berkeley, CA 94720 USA. EM fmaggi@berkeley.edu RI Venterea, Rodney/A-3930-2009; Steefel, Carl/B-7758-2010; Spycher, Nicolas/E-6899-2010; Miller, Norman/E-6897-2010; Oldenburg, Curtis/L-6219-2013; Riley, William/D-3345-2015; Gu, Chuanhui/D-1781-2017 OI Oldenburg, Curtis/0000-0002-0132-6016; Riley, William/0000-0002-4615-2304; Gu, Chuanhui/0000-0003-3445-648X NR 57 TC 41 Z9 41 U1 5 U2 32 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 APR 24 PY 2008 VL 113 IS G2 AR G02016 DI 10.1029/2007JG000578 PG 13 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 295FK UT WOS:000255460200001 ER PT J AU Gibbs, GV Downs, RT Cox, DF Ross, NL Boisen, MB Rosso, KM AF Gibbs, G. V. Downs, R. T. Cox, D. F. Ross, N. L. Boisen, M. B., Jr. Rosso, K. M. TI Shared and closed-shell O-O interactions in silicates SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID ELECTRON-DENSITY DISTRIBUTIONS; BONDED INTERACTIONS; BONDING INTERACTIONS; POLYMORPH COESITE; CHARGE-DENSITY; CHEMICAL-BOND; MOLECULES; CRYSTALS; ATOMS; DIRECTIONS AB Bond paths of maximum electron density spanning O-O edges shared between equivalent or quasiequivalent MOn (n > 4) coordination polyhedra are not uncommon electron density features displayed by silicates. On the basis of the positive values for the local electronic energy density, H(r(c)), at the bond critical points, r(c), they qualify as weak "closed-shell" interactions. As observed for M-O bonded interactions (M = first and second row metal atoms), the electron density, rho(r(c)), and the Laplacian of the electron density increase in a regular way as the separation between the O atoms, R(O-O), decreases. A simple model, based on R(O-O) and the distances of the Si atoms from the midpoint between adjacent pairs of O atoms, partitions the O-O bond paths in the high-pressure silica polymorph coesite into two largely disjoint domains, one with and one without bond paths. The occurrence of O-O bond paths shared in common between equivalent coordination polyhedra suggests that they may be grounded in some cases on factors other than bonded interactions, particularly since they are often displayed by inert procrystal representations of the electron density. In these cases, it can be argued that the accumulation of the electron density along the paths has its origin, at least in part, in the superposition of the peripheral electron density distributions of the metal M atoms occupying the edge-sharing polyhedra. On the other hand, the accumulation of electron density along the paths may stabilize a structure by shielding the adjacent M atoms in the edge-sharing polyhedra. For closed-shell Li-O, Na-O, and Mg-O interactions, H(r(c)) is positive and increases as the value of rho(r(c)) increases, unlike the "shared" Be-O, B-O, C-O, Al-O, Si-O, P-O, and S-O interactions, where H(r(c)) is negative and decreases as rho(r(c)) increases. The H(r(c)) values for the weak closed-shell O-O interactions also increase as rho(r(c)) increases, as observed for the closed-shell M-O interactions. On the basis of the bond critical point properties and the negative H(r(c)) value, the O-O interaction comprising the O-2 molecule in silica III qualifies as a shared interaction. C1 [Gibbs, G. V.; Ross, N. L.] Virginia Tech, Dept Geosci, Blacksburg, VA 24061 USA. [Cox, D. F.] Virginia Tech, Dept Chem Engn, Blacksburg, VA 24061 USA. [Downs, R. T.] Univ Arizona, Dept Geosci, Tucson, AZ 85721 USA. [Boisen, M. B., Jr.] Univ Idaho, Dept Math, Moscow, ID 83844 USA. Pacific NW Natl Lab, Div Mat Sci, Richland, WA 99352 USA. Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Gibbs, GV (reprint author), Virginia Tech, Dept Geosci, Blacksburg, VA 24061 USA. EM gvgibbs@vt.edu NR 36 TC 17 Z9 17 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 24 PY 2008 VL 112 IS 16 BP 3693 EP 3699 DI 10.1021/jp076396j PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 290DZ UT WOS:000255104800023 PM 18324795 ER PT J AU Bylaska, EJ Dupuis, M Tratnyek, PG AF Bylaska, Eric J. Dupuis, Michel Tratnyek, Paul G. TI One-electron-transfer reactions of polychlorinated ethylenes: Concerted and stepwise cleavages SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID ION MASS-SPECTROMETRY; REDUCTIVE DECHLORINATION; CARBON-TETRACHLORIDE; AB-INITIO; CHLORINATED METHANES; THERMOCHEMICAL PROPERTIES; CHLOROETHYLENE ANIONS; SOLVATION MODELS; AQUEOUS-SOLUTION; NEGATIVE-IONS AB Reaction barriers were calculated by using ab initio electronic structure methods for the reductive dechlorination of the polychlorinated ethylenes: C2O4, C2HCl3, trans-1,2-C2H2O2, cis-1,2-C2H2O2, 1,1-C2H2O and C2H3Cl. Concerted and stepwise cleavages of R-Cl bonds were considered. Stepwise cleavages yielded lower activation barriers than concerted cleavages for the reduction of C2O4, C2HCl3, and trarrs-1,2-C2H2Cl2 for strong reducing agents. However, for typical ranges of reducing strength concerted cleavages were found to be favored. Both gas-phase and aqueous-phase calculations predicted C2Cl4 to have the lowest reaction barrier. Additionally, the reduction of C2HCl3 was predicted to show selectivity toward formation of cis-1,2-C2HCl2 center dot over the formation of trans- 1,2-C2HCl2 center dot, and 1,1-C2HCl2 center dot radicals. C1 [Bylaska, Eric J.; Dupuis, Michel] Pacific NW Natl Lab, Richland, WA 99352 USA. [Tratnyek, Paul G.] Oregon Hlth & Sci Univ, OGI Sch Sci & Engn, Beaverton, OR 97006 USA. RP Bylaska, EJ (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. NR 72 TC 11 Z9 11 U1 3 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 24 PY 2008 VL 112 IS 16 BP 3712 EP 3721 DI 10.1021/jp711021d PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 290DZ UT WOS:000255104800025 PM 18366197 ER PT J AU Becker, K Da Como, E Feldmann, J Scheliga, F Csanyi, ET Tretiak, S Lupton, JM AF Becker, K. Da Como, E. Feldmann, J. Scheliga, F. Csanyi, E. Thorn Tretiak, S. Lupton, J. M. TI How chromophore shape determines the spectroscopy of phenylene-vinylenes: Origin of spectral broadening in the absence of aggregation SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID SINGLE-MOLECULE SPECTROSCOPY; CONJUGATED POLYMER-MOLECULES; ENERGY-TRANSFER; MEH-PPV; FLUORESCENCE; CONFORMATION; PHOTOPHYSICS; POLYFLUORENE; EXCITATION; OLIGOMERS AB Single oligo(phenylene-vinylene) molecules constitute model systems of chromophores in disordered conjugated polymers and can elucidate how the actual conformation of an individual chromophore, rather than that of an overall polymer chain, controls its photophysics. Single oligomers and polymer chains display the same range of spectral properties. Even heptamers support pi-electron conjugation across similar to 80 degrees curvature, as revealed by the polarization anisotropy in excitation and supported by quantum chemical calculations. As the chain becomes more deformed, the spectral linewidth at low temperatures, often interpreted as a sign of aggregation, increases up to 30-fold due to a reduction in photophysical stability of the molecule and an increase in random spectral fluctuations. The conclusions aid the interpretation of results from single-chain Stark spectroscopy in which large static dipoles were only observed in the case of narrow transition lines. These narrow transitions originate from extended chromophores in which the dipoles induced by backbone substituents do not cancel out. Chromophores in conjugated polymers are often thought of as individual linear transition dipoles, the sum of. which make up the polymer's optical properties. Our results demonstrate that, at least for phenylene-vinylenes, it is the actual shape of the individual chromophore rather than the overall chromophoric arrangement and form of the polymer chain that dominates the spectroscopic properties. C1 [Becker, K.; Da Como, E.; Feldmann, J.] Univ Munich, Dept Phys, Photon & Optoelect Grp, D-80799 Munich, Germany. [Becker, K.; Da Como, E.; Feldmann, J.] Univ Munich, CeNS, D-80799 Munich, Germany. [Scheliga, F.; Csanyi, E. Thorn] Univ Hamburg, Inst Tech & Macromol Chem, D-20146 Hamburg, Germany. [Tretiak, S.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Tretiak, S.] Los Alamos Natl Lab, CINT, Los Alamos, NM 87545 USA. [Lupton, J. M.] Univ Utah, Dept Phys, Salt Lake City, UT 84112 USA. RP Da Como, E (reprint author), Univ Munich, Dept Phys, Photon & Optoelect Grp, Amalienstr 54, D-80799 Munich, Germany. EM enrico.dacomo@physik.uni-muenchen.de; lupton@physics.utah.edu RI Tretiak, Sergei/B-5556-2009 OI Tretiak, Sergei/0000-0001-5547-3647 NR 40 TC 63 Z9 63 U1 0 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 24 PY 2008 VL 112 IS 16 BP 4859 EP 4864 DI 10.1021/jp800870p PG 6 WC Chemistry, Physical SC Chemistry GA 290EA UT WOS:000255104900003 PM 18373378 ER PT J AU Frischknecht, AL Martin, MG AF Frischknecht, Amalie L. Martin, Marcus G. TI Simulation of the adsorption of nucleotide monophosphates on carbon nanotubes in aqueous solution SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; ANGLE NEUTRON-SCATTERING; WATER-SOLUBILIZATION; NUCLEIC-ACIDS; FORCE-FIELD; DNA; PEPTIDES; DISPERSIONS; POTENTIALS; INSERTION AB We use atomistic molecular dynamics simulations to calculate the binding energy of six different nucleotide monophosphates (NMPs) to a (6,0) single-wall carbon nanotube in aqueous solution. We examine two different aqueous environments, one with just two sodium counterions and a second consisting of approximately 134 mM sodium chloride solution. We find that the binding energies are generally favorable, of the order of a few kilocalories/mole. The binding energies of the different NMPs were very similar in salt solution, whereas we found a range of binding energies for NMPs in pure water. The binding energies are sensitive to the details of the association of the sodium ions with the phosphate groups and also to the average conformations of the nucleotides. C1 [Frischknecht, Amalie L.; Martin, Marcus G.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Frischknecht, AL (reprint author), Sandia Natl Labs, POB 5800,MS 1411, Albuquerque, NM 87185 USA. EM alfrisc@sandia.gov; marcus_martin@users.sourceforge.net RI Frischknecht, Amalie/N-1020-2014 OI Frischknecht, Amalie/0000-0003-2112-2587 NR 53 TC 22 Z9 22 U1 0 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 24 PY 2008 VL 112 IS 16 BP 6271 EP 6278 DI 10.1021/jp077522m PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 290EB UT WOS:000255105000010 ER PT J AU Olson, TY Schwartzberg, AM Orme, CA Talley, CE O'Connell, B Zhang, JZ AF Olson, Tammy Y. Schwartzberg, Adam M. Orme, Christine A. Talley, Chad E. O'Connell, Breanna Zhang, Jin Z. TI Hollow gold-silver double-shell nanospheres: Structure, optical absorption, and surface-enhanced Raman scattering SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID SELF-ASSEMBLED MONOLAYERS; SINGLE-MOLECULE DETECTION; SEED-MEDIATED GROWTH; PLASMON RESONANCE; NANOPARTICLE OPTICS; SPECTROSCOPY; AG; NANOSHELLS; SENSORS; SERS AB Hollow gold-silver double-shell nanospheres (AuAgHNSs) have been synthesized and their structural, optical, and single-particle surface-enhanced Raman scattering (SERS) properties characterized. The structure of these AuAgHNSs have been determined by transmission electron microscopy (TEM), revealing a uniform silver outer shell of approximately 3 nm deposited by seed-mediated growth on 28 +/- 6.2 nm hollow gold nanospheres (AuHNSs). Their plasmon resonance combines the energies of both the silver and the gold shells, broadening the absorption profile, while their overall structure maintains a spherical shape. This property is useful for SERS and other applications that require small, spherical nanostructures and broad, tunable absorption. The mechanism of silver growth on AuHNSs and gold NPs is proposed as silver island formation before complete encapsulation. SERS studies of mercaptobenzoic acid (MBA) before and after silver deposition show a 4-5-fold enhancement over AuHNSs with little change in signal consistency, while solid NPs exhibit little or no signal improvement. A change in the relative peak intensity in the MBA Raman spectrum before and after silver coating is attributed to the effect of orientation and binding of thiols to gold and silver surfaces. C1 [Olson, Tammy Y.; Schwartzberg, Adam M.; O'Connell, Breanna; Zhang, Jin Z.] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA. [Olson, Tammy Y.; Schwartzberg, Adam M.; Orme, Christine A.; Talley, Chad E.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Zhang, JZ (reprint author), Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA. EM zhang@chemistry.ucsc.edu RI Orme, Christine/A-4109-2009 NR 61 TC 79 Z9 79 U1 2 U2 58 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 24 PY 2008 VL 112 IS 16 BP 6319 EP 6329 DI 10.1021/jp7116714 PG 11 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 290EB UT WOS:000255105000017 ER PT J AU Bronkema, JL Bell, AT AF Bronkema, Jason L. Bell, Alexis T. TI Mechanistic studies of methanol oxidation to formaldehyde on isolated vanadate sites supported on high surface area zirconia SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID VANADIUM-OXIDE CATALYSTS; RAY-ABSORPTION-SPECTROSCOPY; SILICA; REACTIVITY; IFEFFIT; TITANIA; ANATASE; ORIGIN; MCM-48; RUTILE AB The oxidation of methanol on both ZrO2 and V/ZrO2 was investigated using temperature-programmed experiments together with in situ infrared spectroscopy. Characterization of V/ZrO2 after calcination by Raman spectroscopy and XANES shows that the vanadium is present as isolated VO4 units in a distorted tetrahedral geometry. Methanol was found to adsorb dissociatively on both Zr-O-Zr and V-O-Zr species to create Zr-OCH3/Zr-OH and V-OCH3/Zr-OH pairs, respectively. Upon heating, CH3OH and H2O desorb initially from all samples. Above 423 K, surface formate species are detected while H-2 and CO are the main products formed on ZrO2. Upon addition of vanadium, CH2O production increases dramatically during temperature-programmed reaction. The absence of CH2O during temperature-programmed desorption and oxidation experiments on V/ZrO2 is likely due to rapid readsorption of the product onto the ZrO2 support, leading to the formation of formate species and H. The apparent activation energy for V/ZrO2 is 18 kcal/mol. The activities of isolated vanadate species supported on SiO2, TiO2, and ZrO2 are compared and discussed. C1 Univ Calif Berkeley, Div Chem Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Bell, AT (reprint author), Univ Calif Berkeley, Div Chem Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM bell@cchem.berkeley.edu OI Bell, Alexis/0000-0002-5738-4645 NR 29 TC 16 Z9 16 U1 1 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 24 PY 2008 VL 112 IS 16 BP 6404 EP 6412 DI 10.1021/jp7110692 PG 9 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 290EB UT WOS:000255105000028 ER PT J AU Giustino, F Cohen, ML Louie, SG AF Giustino, Feliciano Cohen, Marvin L. Louie, Steven G. TI Small phonon contribution to the photoemission kink in the copper oxide superconductors SO NATURE LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTORS; CUPRATE SUPERCONDUCTORS; ENERGY; DISPERSION; STATE AB Despite over two decades of intense research efforts, the origin of high- temperature superconductivity in the copper oxides remains elusive. Angle- resolved photoemission spectroscopy experiments(1,2) have revealed a kink in the dispersion relations ( energy versus wavevector) of electronic states in the copper oxides at binding energies of 50-80 meV, raising the hope that this anomaly could be a key to understanding high- temperature superconductivity. The kink is often interpreted in terms of interactions between the electrons and a bosonic field. Although there is no consensus on the nature of the bosons ( or even whether a boson model is appropriate), both phonons(1) and spin fluctuations(2) have been proposed as possible candidates. Here we report first- principles calculations of the role of phonons and the electron - phonon interaction in the photoemission spectra of La2-xSrxCuO4. Our calculations within the standard formalism demonstrate that the phonon- induced renormalization of the electron energies and the Fermi velocity is almost one order of magnitude smaller than the effect observed in photoemission experiments. Therefore, our result rules out electron - phonon interaction in bulk La2-xSrxCuO4 as the exclusive origin of the measured kink. Our conclusions are consistent with those reached independently in a recent study(3) of the related compound YBa2Cu3O7. C1 [Giustino, Feliciano; Cohen, Marvin L.; Louie, Steven G.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Giustino, Feliciano; Cohen, Marvin L.; Louie, Steven G.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Louie, SG (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM sglouie@berkeley.edu RI Giustino, Feliciano/F-6343-2013; OI Giustino, Feliciano/0000-0001-9293-1176 NR 29 TC 94 Z9 94 U1 3 U2 25 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 EI 1476-4687 J9 NATURE JI Nature PD APR 24 PY 2008 VL 452 IS 7190 BP 975 EP 978 DI 10.1038/nature06874 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 291PF UT WOS:000255208600035 PM 18432241 ER PT J AU Nakatsutsumi, M Davies, JR Kodama, R Green, JS Lancaster, KL Akli, KU Beg, FN Chen, SN Clark, D Freeman, RR Gregory, CD Habara, H Heathcote, R Hey, DS Highbarger, K Jaanimagi, P Key, MH Krushelnick, K Ma, T MacPhee, A MacKinnon, AJ Nakamura, H Stephens, RB Storm, M Tampo, M Theobald, W Van Woerkom, L Weber, RL Wei, MS Woolsey, NC Norreys, PA AF Nakatsutsumi, M. Davies, J. R. Kodama, R. Green, J. S. Lancaster, K. L. Akli, K. U. Beg, F. N. Chen, S. N. Clark, D. Freeman, R. R. Gregory, C. D. Habara, H. Heathcote, R. Hey, D. S. Highbarger, K. Jaanimagi, P. Key, M. H. Krushelnick, K. Ma, T. MacPhee, A. MacKinnon, A. J. Nakamura, H. Stephens, R. B. Storm, M. Tampo, M. Theobald, W. Van Woerkom, L. Weber, R. L. Wei, M. S. Woolsey, N. C. Norreys, P. A. TI Space and time resolved measurements of the heating of solids to ten million kelvin by a petawatt laser SO NEW JOURNAL OF PHYSICS LA English DT Article ID HOT-ELECTRONS; HIGH-DENSITY; PULSES; TRANSPORT; TARGETS; IGNITION; ALUMINUM; PLASMA; SPECTROSCOPY; W/CM(2) AB The heating of plane solid targets by the Vulcan petawatt laser at powers of 0.32-0.73 PW and intensities of up to 4 x 10(20) W cm(-2) has been ;diagnosed with a temporal resolution of 17 ps and a spatial resolution of 30 mu m, by measuring optical emission from the opposite side of the target to the laser with a streak camera. Second harmonic emission was filtered out and the target viewed at an angle to eliminate optical transition radiation. Spatial resolution was obtained by imaging the emission onto a bundle of fibre optics, arranged into a one-dimensional array at the camera entrance. The results show that a region 160 mu m in diameter can be heated to a temperature of similar to 10(7) K (kT/e similar to keV) in solid targets from 10 to 20 mu m thick and that this temperature is maintained for at least 20 ps, confirming the utility of PW lasers in the study of high energy density physics. Hybrid code modelling shows that magnetic field generation prevents increased target heating by electron refluxing above a certain target thickness and that the absorption of laser energy into electrons entering the solid target was between 15-30%, and tends to increase with laser energy. C1 [Nakatsutsumi, M.; Kodama, R.; Habara, H.; Nakamura, H.] Osaka Univ, Grad Sch Engn, Suita, Osaka 5650871, Japan. [Davies, J. R.] Inst Super Tecn, GoLP, IPFN, P-1049001 Lisbon, Portugal. [Kodama, R.; Habara, H.; Tampo, M.] Osaka Univ, Inst Laser Engn, Suita, Osaka 5650871, Japan. [Green, J. S.; Lancaster, K. L.; Heathcote, R.; Norreys, P. A.] STFC Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Green, J. S.; Krushelnick, K.; Norreys, P. A.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2BZ, England. [Akli, K. U.; Stephens, R. B.] Gen Atom Co, San Diego, CA 92186 USA. [Beg, F. N.; Chen, S. N.; Ma, T.; Wei, M. S.] Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA. [Clark, D.; Freeman, R. R.; Highbarger, K.; Van Woerkom, L.; Weber, R. L.] Ohio State Univ, Dept Phys, Columbus, OH 43200 USA. [Gregory, C. D.; Woolsey, N. C.] Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England. [Hey, D. S.; Key, M. H.; MacPhee, A.; MacKinnon, A. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Hey, D. S.] Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. [Jaanimagi, P.; Storm, M.; Theobald, W.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Krushelnick, K.] Univ Michigan, Ctr Ultrafast Opt Sci, Ann Arbor, MI 48109 USA. [Tampo, M.] Japan Atom Energy Agcy, Kansai Photon Sci Inst, Kizu, Kyoto 6190215, Japan. RP Nakatsutsumi, M (reprint author), Osaka Univ, Grad Sch Engn, 2-1 Yamadaoka, Suita, Osaka 5650871, Japan. EM jrd@ist.utl.pt RI Tampo, Motonobu/I-2897-2012; Davies, Jonathan/J-2611-2012; MacKinnon, Andrew/P-7239-2014; Kodama, Ryosuke/G-2627-2016; OI MacKinnon, Andrew/0000-0002-4380-2906; chen, sophia n./0000-0002-3372-7666; Stephens, Richard/0000-0002-7034-6141 NR 53 TC 26 Z9 26 U1 1 U2 14 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD APR 24 PY 2008 VL 10 AR 043046 DI 10.1088/1367-2630/10/4/043046 PG 13 WC Physics, Multidisciplinary SC Physics GA 299ZF UT WOS:000255793400003 ER PT J AU Fan, JW Zhang, RY Tao, WK Mohr, KI AF Fan, Jiwen Zhang, Renyi Tao, Wei-Kuo Mohr, Karen I. TI Effects of aerosol optical properties on deep convective clouds and radiative forcing SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID ATMOSPHERIC AEROSOLS; MODEL SIMULATIONS; BOUNDARY-LAYER; ORGANIC-ACIDS; INDIAN-OCEAN; CLIMATE; URBAN; PARAMETERIZATION; MICROPHYSICS; POLLUTION AB The aerosol radiative effects (ARE) on the deep convective clouds are investigated by using a spectral-bin cloud-resolving model coupled with a radiation scheme and an explicit land surface model. The sensitivity of cloud properties and the associated radiative forcing to aerosol single-scattering albedo (SSA) are examined. The ARE on cloud properties is pronounced for mid-visible SSA of 0.85. Relative to the case without ARE, the cloud fraction and optical depth decrease by about 18% and 20%, respectively. Ice particle number concentrations, liquid water path, ice water path, and droplet size decrease by more than 15% when the ARE is introduced. The ARE causes a surface cooling of about 0.35 K and significantly high heating rates in the lower troposphere (about 0.6 K day(-1) higher at 2 km), both of which lead to a more stable atmosphere and hence weaker convection. The weaker convection explains the less cloudiness, lower cloud optical depth, less LWP and IWP, smaller droplet size, and less precipitation resulting from the ARE. The daytime-mean direct forcing induced by black carbon is about 2.2 W m(-2) at the top of atmosphere (TOA) and -17.4 W m(-2) at the surface for SSA of 0.85. The semi-direct forcing is positive, about 10 and 11.2 W m(-2) at the TOA and surface, respectively. Both the TOA and surface total radiative forcing values are strongly negative for the deep convective clouds, attributed mostly to aerosol indirect forcing. Aerosol direct and semi- direct effects are very sensitive to SSA when aerosol optical depth is high. Because the positive semi- direct forcing compensates the negative direct forcing at the surface, the surface temperature and heat fluxes decrease less significantly with the increase of aerosol absorption (decreasing SSA). The cloud fraction, optical depth, convective strength, and precipitation decrease with the increase of absorption, resulting from a more stable atmosphere due to enhanced surface cooling and atmospheric heating. C1 [Fan, Jiwen; Zhang, Renyi] Texas A&M Univ, Dept Atmospher Sci, College Stn, TX 77843 USA. [Tao, Wei-Kuo] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Mohr, Karen I.] SUNY Albany, Dept Earth & Atmospher Sci, Albany, NY 12222 USA. RP Fan, JW (reprint author), Pacific NW Natl Lab, POB 999,MSIN K9-24, Richland, WA 99352 USA. EM renyi-zhang@neo.tamu.edu RI Zhang, Renyi/A-2942-2011; Fan, Jiwen/E-9138-2011; Mohr, Karen/E-4331-2012 NR 64 TC 71 Z9 73 U1 6 U2 26 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 APR 23 PY 2008 VL 113 IS D8 AR D08209 DI 10.1029/2007JD009257 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 295FC UT WOS:000255459400004 ER PT J AU Rech, J Matveev, KA AF Rech, Jerome Matveev, K. A. TI Electronic transport in inhomogeneous quantum wires SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID POINT CONTACTS; LUTTINGER-LIQUID; CONDUCTANCE; SPIN; GAS; QUANTIZATION AB We study the transport properties of a long non-uniform quantum wire where the electron - electron interactions and the density vary smoothly at large length scales. We show that these inhomogeneities lead to a finite resistivity of the wire, due to a weak violation of momentum conservation in the collisions between electrons. Estimating the rate of change of momentum associated with non-momentum-conserving scattering processes, we derive the expression for the resistivity of the wire in the regime of weakly interacting electrons and find a contribution linear in temperature for a broad range of temperatures below the Fermi energy. By estimating the energy dissipated throughout the wire by low-energy excitations, we then develop a different method for deriving the resistivity of the wire, which can be combined with the bosonization formalism. This allows us to compare our results with previous works relying on an extension of the Tomonaga-Luttinger model to inhomogeneous systems. C1 [Rech, Jerome; Matveev, K. A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Rech, J (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM rech@anl.gov NR 37 TC 10 Z9 10 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD APR 23 PY 2008 VL 20 IS 16 AR 164211 DI 10.1088/0953-8984/20/16/164211 PG 9 WC Physics, Condensed Matter SC Physics GA 285LW UT WOS:000254779300012 ER PT J AU Yoon, Y Morimoto, T Mourokh, L Aoki, N Ochiai, Y Reno, JL Bird, JP AF Yoon, Y. Morimoto, T. Mourokh, L. Aoki, N. Ochiai, Y. Reno, J. L. Bird, J. P. TI Detecting bound spins using coupled quantum point contacts SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID ONE-DIMENSIONAL CONSTRICTION; QUANTIZED CONDUCTANCE; ELECTRON-GAS; TRANSPORT; POLARIZATION; WIRES; SUBBANDS AB For many years now, there has been ongoing interest in the manifestations of many body phenomena in the conductance of strongly confined, one-dimensional (1D) electron systems. One important aspect of this research has centered on the study of the so-called '0.7 feature' in the low-temperature conductance of 1D conductors known as quantum points (QPCs). There have been numerous reports in the literature suggesting that the 0.7 feature should be related to some kind of spontaneous spin polarization in the QPCs, which persists even at zero magnetic field. In this report, we review the results of our recent work on this problem, in which we make use of coupled QPCs to probe the properties of transport very close to pinch off. We observe a resonant interaction between two QPCs whenever one of them pinches off, which we believe is associated with the binding of a single spin to the QPC that is pinching off. A phenomenological theoretical model is developed that relates the observed resonance to a tunnel-induced correlation that arises from the interaction between a presumed bound spin on one QPC and conducting states in the other. Building on these ideas, we use this measurement technique to probe the microscopic properties of the bound spin, finding it to be robustly confined and to show a Zeeman splitting in a magnetic field. The spin binding occurs for stronger gate confinement than the 0.7 feature, and we therefore suggest an alternative scenario for understanding the formation of this feature. In this, one considers the evolution of the self-consistent bound state as the gate potential is weakened from pinch off to allow for electron transmission through the QPC. The suggestion of this work is that a QPC may serve as a naturally formed single-spin system with electrical readout, a finding that may be useful for the development of future generations of single-spin electronics. C1 [Yoon, Y.; Bird, J. P.] SUNY Buffalo, Dept Elect Engn, Buffalo, NY 14260 USA. [Morimoto, T.; Ochiai, Y.] Chiba Univ, Grad Sch Sci & Technol, Inage Ku, Chiba 2638522, Japan. [Mourokh, L.] CUNY Queens Coll, Dept Phys, Flushing, NY 11367 USA. [Mourokh, L.] CUNY Coll Staten Isl, Dept Engn Sci & Phys, Staten Isl, NY 10314 USA. [Aoki, N.; Ochiai, Y.] Chiba Univ, Grad Sch Adv Integrat Sci, Inage Ku, Chiba 2638522, Japan. [Reno, J. L.] Sandia Natl Labs, CINT Sci Dept, Albuquerque, NM 87185 USA. RP Yoon, Y (reprint author), SUNY Buffalo, Dept Elect Engn, Buffalo, NY 14260 USA. RI Bird, Jonathan/G-4068-2010 OI Bird, Jonathan/0000-0002-6966-9007 NR 53 TC 3 Z9 3 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD APR 23 PY 2008 VL 20 IS 16 AR 164216 DI 10.1088/0953-8984/20/16/164216 PG 9 WC Physics, Condensed Matter SC Physics GA 285LW UT WOS:000254779300017 ER PT J AU Li, G Dimitrijevic, NM Chen, L Nichols, JM Rajh, T Gray, KA AF Li, Gonghu Dimitrijevic, Nada M. Chen, Le Nichols, Jamie M. Rajh, Tijana Gray, Kimberly A. TI The important role of tetrahedral Ti4+ sites in the phase transformation and photocatalytic activity of TiO2 nanocomposites SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID TITANIUM-OXIDE PHOTOCATALYSTS; NANOCRYSTALLINE TITANIA; CHARGE SEPARATION; SILICATE SIEVE; VISIBLE-LIGHT; MIXED OXIDES; DIOXIDE; ANATASE; SURFACE; NANOPARTICLES AB Highly photoactive, tetrahedral Ti4+ sites can be created, other than in zeolite cavities and on silica substrate, in mixed-phase TiO2 nanocomposites. The tetrahedral Ti4+ species was shown to be an intermediate formed during the thermally driven phase transformation from anatase to futile. C1 [Li, Gonghu; Chen, Le; Nichols, Jamie M.; Gray, Kimberly A.] Northwestern Univ, Inst Catalysis Energy Proc, Dept Civil & Environm Engn, Evanston, IL 60208 USA. [Dimitrijevic, Nada M.; Rajh, Tijana] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Gray, KA (reprint author), Northwestern Univ, Inst Catalysis Energy Proc, Dept Civil & Environm Engn, Evanston, IL 60208 USA. EM k-gray@northwestern.edu RI Gray, Kimberly/B-6989-2009 NR 24 TC 102 Z9 103 U1 4 U2 54 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 23 PY 2008 VL 130 IS 16 BP 5402 EP + DI 10.1021/ja711118u PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 289FW UT WOS:000255041400010 PM 18370389 ER PT J AU Lee, HJ Habas, SE Somorjai, GA Yang, PD AF Lee, Hyunjoo Habas, Susan E. Somorjai, Gabor A. Yang, Peidong TI Localized Pd overgrowth on cubic Pt nanocrystals for enhanced electrocatalytic oxidation of formic acid SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID PLATINUM NANOCRYSTALS; PT(111) ELECTRODES; OXYGEN REDUCTION; NANOPARTICLES; ELECTROOXIDATION; SURFACES; KINETICS; PT(100); GROWTH AB Binary Pt/Pd nanoparticles were synthesized by localized overgrowth of Pd on cubic Pt seeds for the investigation of electrocatalytic formic acid oxidation. The binary particles exhibited much less self-poisoning and a lower activation energy relative to Pt nanocubes, consistent with the single crystal study. C1 [Lee, Hyunjoo; Habas, Susan E.; Somorjai, Gabor A.; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Lee, Hyunjoo; Habas, Susan E.; Somorjai, Gabor A.; Yang, Peidong] Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94720 USA. [Lee, Hyunjoo] Yonsei Univ, Dept Chem Engn, Seoul 120749, South Korea. RP Yang, PD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM p_yang@uclink.berkeley.edu RI Lee, Hyunjoo/G-8034-2012 OI Lee, Hyunjoo/0000-0002-4538-9086 NR 18 TC 289 Z9 292 U1 18 U2 163 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 23 PY 2008 VL 130 IS 16 BP 5406 EP + DI 10.1021/ja800656y PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 289FW UT WOS:000255041400012 PM 18366165 ER PT J AU Shiltsev, V Alexahin, Y Bishofberger, K Kamerdzhiev, V Parkhomchuk, V Reva, V Solyak, N Wildman, D Zhang, XL Zimmermann, F AF Shiltsev, V. Alexahin, Y. Bishofberger, K. Kamerdzhiev, V. Parkhomchuk, V. Reva, V. Solyak, N. Wildman, D. Zhang, X-L Zimmermann, F. TI Experimental studies of compensation of beam-beam effects with Tevatron electron lenses SO NEW JOURNAL OF PHYSICS LA English DT Article AB Applying the space-charge forces of a low-energy electron beam can lead to a significant improvement of the beam-particle lifetime limit arising from the beam - beam interaction in a high-energy collider [1]. In this paper, we present the results of various beam experiments with 'electron lenses', novel instruments developed for the beam - beam compensation at the Tevatron, which collides 980 GeV proton and antiproton beams. We study the dependencies of the particle betatron tunes on the electron beam current, energy and position; we explore the effects of electron-beam imperfections and noises; and we quantify the improvements of the high-energy beam intensity and the collider luminosity lifetime obtained by the action of the Tevatron electron lenses. C1 [Shiltsev, V.; Alexahin, Y.; Kamerdzhiev, V.; Solyak, N.; Wildman, D.; Zhang, X-L] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Bishofberger, K.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Parkhomchuk, V.; Reva, V.] Budker Inst Nucl Phys, Novosibirsk 630090, Russia. [Zimmermann, F.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. RP Shiltsev, V (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM shiltsev@fnal.gov RI Parkhomchuk, Vasily/B-3835-2017 OI Parkhomchuk, Vasily/0000-0001-5833-0051 NR 25 TC 14 Z9 14 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD APR 23 PY 2008 VL 10 AR 043042 DI 10.1088/1367-2630/10/4/043042 PG 32 WC Physics, Multidisciplinary SC Physics GA 299ZE UT WOS:000255793300003 ER PT J AU Quint, PS Domsic, JF Cabelli, DE McKenna, R Silverman, DN AF Quint, Patrick S. Domsic, John F. Cabelli, Diane E. McKenna, Robert Silverman, David N. TI Role of a glutamate bridge spanning the dimeric interface of human manganese superoxide dismutase SO BIOCHEMISTRY LA English DT Article ID AMINO-ACID SUBSTITUTION; ACTIVE-SITE; ESCHERICHIA-COLI; CRYSTAL-STRUCTURE; THERMUS-THERMOPHILUS; TETRAMERIC INTERFACE; PRODUCT INHIBITION; AQUEOUS-SOLUTIONS; PULSE-RADIOLYSIS; STABILITY AB The function in the structure, stability, and catalysis of the interfaces between subunits in manganese superoxide dismutase (MnSOD) is currently under scrutiny. Glul62 in homotetrameric human MnSOD spans a dimeric interface and forms a hydrogen bond with His163 of an adjacent subunit which is a direct ligand of the manganese. We have examined the properties of two site-specific mutants of human MnSOD in which Glul62 is replaced with Asp (E162D) and Ala (E162A). The X-ray crystal structures of E162D and E162A MnSOD reveal no significant structural changes compared with the wild type other than the removal of the hydrogen bond interaction with His163 in E162A MnSOD. In the case of E162D MnSOD, an intervening solvent molecule fills the void created by the mutation to conserve the hydrogen bond interaction between His 163 and residue 162. These mutants retain their tetrameric structure and their specificity for manganese over iron. Each has catalytic activity in the disproportionation of superoxide that is typically 5-25% of that of the wild-type enzyme and a level of product inhibition greater by approximately 2-fold. Differential scanning calorimetry indicates that the hydrogen bond between Glul62 and His163 contributes to the stability of MnSOD, with the major unfolding transition occurring at 81 degrees C for E162A compared to 90 degrees C for wild-type MnSOD. These results suggest that Glu162 at the tetrameric interface in human MnSOD supports stability and efficient catalysis and has a significant role in regulating product inhibition. C1 [Quint, Patrick S.; Silverman, David N.] Univ Florida, Dept Pharmacol & Therapeut, Gainesville, FL 32610 USA. [Cabelli, Diane E.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Domsic, John F.; McKenna, Robert; Silverman, David N.] Univ Florida, Dept Biochem & Mol Biol, Gainesville, FL 32610 USA. RP McKenna, R (reprint author), Univ Florida, Coll Med, Dept Pharmacol, Box 100245, Gainesville, FL 32610 USA. EM rmckenna@ufl.edu; silvrmn@ufl.edu FU NIGMS NIH HHS [GM 54903] NR 36 TC 8 Z9 8 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 APR 22 PY 2008 VL 47 IS 16 BP 4621 EP 4628 DI 10.1021/bi7024518 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 287HL UT WOS:000254907800006 PM 18373354 ER PT J AU Staiger, CL Pas, SJ Hill, AJ Cornelius, CJ AF Staiger, Chad L. Pas, Steven J. Hill, Anita J. Cornelius, Chris J. TI Gas separation, free volume distribution, and physical aging of a highly microporous spirobisindane polymer SO CHEMISTRY OF MATERIALS LA English DT Article ID INTRINSIC MICROPOROSITY; MEMBRANES; PERMEABILITY; TRANSPORT; SORPTION; ANNIHILATION C1 [Staiger, Chad L.; Cornelius, Chris J.] Sandia Natl Labs, Fuels & Energy Transit Dept, Albuquerque, NM 87185 USA. [Pas, Steven J.; Hill, Anita J.] CSIRO Mat Sci & Engn, Clayton, Vic 3169, Australia. [Pas, Steven J.; Hill, Anita J.] Monash Univ, ARC Ctr Electromat Sci, Dept Mat Engn, Clayton, Vic 3800, Australia. [Pas, Steven J.; Hill, Anita J.] Monash Univ, Sch Chem, Clayton, Vic 3800, Australia. RP Cornelius, CJ (reprint author), Sandia Natl Labs, Fuels & Energy Transit Dept, POB 5800,MS 0734, Albuquerque, NM 87185 USA. EM cjcorne@sandia.gov RI Hill, Anita/B-9231-2011; Pas, Steven/F-6516-2013 NR 21 TC 86 Z9 86 U1 4 U2 26 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD APR 22 PY 2008 VL 20 IS 8 BP 2606 EP 2608 DI 10.1021/cm071722t PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 288XL UT WOS:000255019300002 ER PT J AU Quan, Y Mannsfeld, SCB Tang, ML Roberts, M Toney, MF DeLongchamp, DM Bao, Z AF Yuan, Quan Mannsfeld, Stefan C. B. Tang, Ming L. Roberts, Mark Toney, Michael F. DeLongchamp, Dean M. Bao, Zhenan TI Microstructure of oligofluorene asymmetric derivatives in orgranic thin film transistors SO CHEMISTRY OF MATERIALS LA English DT Article ID FIELD-EFFECT MOBILITY; X-RAY-SCATTERING; THIOPHENE DERIVATIVES; MOLECULAR-STRUCTURE; SEMICONDUCTOR FILM; SINGLE-CRYSTALS; PENTACENE; PERFORMANCE; ORDER; ELECTRONICS AB In organic thin film transistors (OTFT), modifying the molecular chemical structure affects the molecular packing and thin film morphology, which both sensitively influence the charge carrier mobility. A detailed understanding of the interplay of molecular chemical structure, molecular packing, and thin film morphology is therefore necessary to improve OTFT performance. Fluorene-bithiophene-fluorene (FTTF) derivatives have demonstrated great potential for use as the active layer for OTFTs. A series of FTTF asymmetrically substituted derivatives were synthesized to fine-tune the film properties. In this study, the thin film microstructure details of FTTF and several FTTF derivatives with asymmetrically substituted alkyl-chains of different lengths are studied and compared with their electrical performance in thin film transistor devices. The respective unit cells were characterized using grazing incidence X-ray diffraction (GIXD), and for FTTF the detailed molecular packing was determined from the GIXD intensities in combination with packing simulation. The alignment of the FTTF core in the thin film phase was further characterized using near edge X-ray absorption fine structure (NEXAFS) spectroscopy for films prepared under different processing conditions and tinder different film growth stages. For well-packed asymmetric FTTF derivatives, we find that the conjugated FTTF core is in direct contact with the substrate surface, and its single alkyl chain is aligned away from that interface. The impact of the detailed microstructure in the films on the charge mobility is discussed. C1 [Mannsfeld, Stefan C. B.; Roberts, Mark; Bao, Zhenan] Stanford Univ, Dept Chem Engn, Stanford, CA 94305 USA. [Yuan, Quan] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. [Tang, Ming L.] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Toney, Michael F.] Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. [DeLongchamp, Dean M.] Natl Inst Stand & Technol, Gaithersburg, MD 20899 USA. RP Bao, Z (reprint author), Stanford Univ, Dept Chem Engn, Stanford, CA 94305 USA. EM zbao@stanford.edu RI Roberts, Mark/H-9865-2016 OI Roberts, Mark/0000-0001-5971-6650 NR 40 TC 4 Z9 4 U1 1 U2 33 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD APR 22 PY 2008 VL 20 IS 8 BP 2763 EP 2772 DI 10.1021/cm800071r PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 288XL UT WOS:000255019300026 ER PT J AU Gao, Y Chen, CA Gau, HM Bailey, JA Akhadov, E Williams, D Wang, HL AF Gao, Yuan Chen, Chien-An Gau, Han-Mou Bailey, James A. Akhadov, Elshan Williams, Darrick Wang, Hsing-Lin TI Facile synthesis of polyaniline-supported Pd nanoparticles and their catalytic properties toward selective hydrogenation of alkynes and cinnamaldehyde SO CHEMISTRY OF MATERIALS LA English DT Article ID ELECTROCATALYTIC PROPERTIES; CONDUCTING POLYMER; METAL NANOPARTICLES; MILD-STEEL; PALLADIUM; FILMS; MICROPARTICLES; FABRICATION; COMPOSITE; EMI AB We report a facile method toward preparation of conducting polymer-supported Pd nanoparticles by in situ reducing the palladium salt [Pd(NO3)(2)] on the surface of polyaniline (PANI) film/membrane. The palladium(0) particles distribute evenly on the PANI surfaces. The size and morphology of Pd particles are dependent on the nature of the substrate surfaces. The palladium (Pd) particles on the PANI membrane surfaces have a rough surface morphology with a size distribution of similar to 200 nm, and the Pd particles on the PANI film have a smooth surface with a size distribution of similar to 500 nm. These Pd particles are in fact conglomerates of much smaller nanoparticles with an average size distribution of 13 nm. Pd nanoparticles exhibit efficient catalytic activity toward hydrogenation of alkynes and cinnamaldehyde with high selectivities dominated by a kinetic mechanism. Moreover, our results suggest that the variation in particle morphology resulting from substrates leads to differences in their catalytic efficiency presumably due to the difference in surface area. The PANI-supported Pd nanoparticles are robust and can be reused at least seven times without the significant loss of its catalytic activity. and selectivity. C1 [Gao, Yuan; Bailey, James A.; Wang, Hsing-Lin] Los Alamos Natl Lab, Phys Chem & Spectroscopy Grp, Los Alamos, NM 87545 USA. [Akhadov, Elshan; Williams, Darrick] Los Alamos Natl Lab, MST CINT, Los Alamos, NM 87545 USA. [Chen, Chien-An; Gau, Han-Mou] Natl Chung Hsing Univ, Dept Chem, Taichung 40227, Taiwan. RP Wang, HL (reprint author), Los Alamos Natl Lab, Phys Chem & Spectroscopy Grp, Los Alamos, NM 87545 USA. NR 37 TC 76 Z9 79 U1 6 U2 52 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD APR 22 PY 2008 VL 20 IS 8 BP 2839 EP 2844 DI 10.1021/cm7030416 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 288XL UT WOS:000255019300034 ER PT J AU Brennecka, GL Parish, CM Tuttle, BA Brewer, LN Rodriguez, MA AF Brennecka, Geoff L. Parish, Chad M. Tuttle, Bruce A. Brewer, Luke N. Rodriguez, Mark A. TI Reversibility of the perovskite-to-fluorite phase transformation in lead-based thin and ultrathin films SO ADVANCED MATERIALS LA English DT Article ID X-RAY; GEL; FERROELECTRICITY; PZT; CRYSTALLIZATION; PYROCHLORE; CAPACITORS; NANOSCALE; LAYERS AB As film thicknesses decrease below 50 nm, control of cation stoichiometry in Pb-based dielectrics becomes increasingly difficult, a problem that is exacerbated by interaction with technologically important Pt bottom electrodes. Post-crystallization annealing in a Pb-rich atmosphere is shown to be a general technique to reversibly convert low-permittivity Pb-deficient fluorite into ferroelectric high-permittivity stoichiometric perovskite with outstanding dielectric properties (see figure). C1 [Brennecka, Geoff L.; Parish, Chad M.; Tuttle, Bruce A.; Brewer, Luke N.; Rodriguez, Mark A.] Ctr Mat Sci & Engn, Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Brennecka, GL (reprint author), Ctr Mat Sci & Engn, Sandia Natl Labs, Albuquerque, NM 87123 USA. EM glbrenn@sandia.gov RI Parish, Chad/J-8381-2013; Brennecka, Geoff/J-9367-2012 OI Brennecka, Geoff/0000-0002-4476-7655 NR 31 TC 38 Z9 38 U1 1 U2 24 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 APR 21 PY 2008 VL 20 IS 8 BP 1407 EP + DI 10.1002/adma.200702442 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 298NK UT WOS:000255694200003 ER PT J AU Li, QF He, JB Glogowski, E Li, XF Wang, J Emrick, T Russell, TP AF Li, Qifang He, Jinbo Glogowski, Elizabeth Li, Xuefa Wang, Jin Emrick, Todd Russell, Thomas P. TI Responsive assemblies: Gold nanoparticles with mixed ligands in microphase separated block copolymers SO ADVANCED MATERIALS LA English DT Article ID THIN-FILMS; MIXTURES; PARTICLES; MICELLES; LOCATION; DEVICES; ARRAYS AB A simple method for controlling the spatial distribution of nanoparticles in a diblock copolymer is shown. By varying the ligand functionality of the nanoparticles, as well as the processing conditions, the distribution of gold nanoparticles in the microdomains of the diblock copolymer was controlled and altered. In addition, the nanoparticles are found to affect the diblock copolymer morphologies. Thermal treatment caused a redistribution of the nanoparticles inside one microdomain. C1 [Glogowski, Elizabeth; Emrick, Todd; Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. [Li, Qifang] Beijing Inst Chem Technol, State Key Lab Chem Resource Engn, Beijing 100029, Peoples R China. [Li, Xuefa; Wang, Jin] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Emrick, T (reprint author), Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. EM tsemrick@mail.pse.umass.edu; russell@mail.pse.umass.edu RI He, Jinbo/B-1445-2010 NR 32 TC 85 Z9 86 U1 4 U2 66 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0935-9648 EI 1521-4095 J9 ADV MATER JI Adv. Mater. PD APR 21 PY 2008 VL 20 IS 8 BP 1462 EP + DI 10.1002/adma.200702004 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 298NK UT WOS:000255694200012 ER PT J AU Hamann, TW Martinson, ABE Elam, JW Pellin, MJ Hupp, JT AF Hamann, Thomas W. Martinson, Alex B. E. Elam, Jeffrey W. Pellin, Michael J. Hupp, Joseph T. TI Aerogel templated ZnO dye-sensitized solar cells SO ADVANCED MATERIALS LA English DT Article ID ENERGY-CONVERSION; ZINC-OXIDE; TRANSPORT; RECOMBINATION; ELECTRODES; DEPOSITION AB Atomic layer deposition is employed to conformally coat low density, high surface area aerogel films with ZnO. The ZnO/aerogel membranes are incorporated as photoanodes in dye-sensitized solar cells, which exhibit excellent power efficiencies of up to 2.4% under 100 mW cm(-2) light intensity. C1 [Hamann, Thomas W.; Martinson, Alex B. E.; Pellin, Michael J.; Hupp, Joseph T.] Northwestern Univ, Evanston, IL 60208 USA. [Martinson, Alex B. E.; Elam, Jeffrey W.; Pellin, Michael J.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Hupp, JT (reprint author), Northwestern Univ, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM j-hupp@northwestern.edu RI Pellin, Michael/B-5897-2008; Hupp, Joseph/K-8844-2012; OI Pellin, Michael/0000-0002-8149-9768; Hupp, Joseph/0000-0003-3982-9812; Martinson, Alex/0000-0003-3916-1672 NR 24 TC 109 Z9 111 U1 3 U2 71 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 APR 21 PY 2008 VL 20 IS 8 BP 1560 EP + DI 10.1002/adma.200702781 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 298NK UT WOS:000255694200030 ER PT J AU Alberi, K Dubon, OD Walukiewicz, W Yu, KM Gupta, JA Baribeau, JM AF Alberi, K. Dubon, O. D. Walukiewicz, W. Yu, K. M. Gupta, J. A. Baribeau, J. -M. TI Composition dependence of the hole mobility in GaSb(x)As(1-x) SO APPLIED PHYSICS LETTERS LA English DT Article ID INP AB The unusually low hole mobility observed in heavily p-type doped dilute GaSb(x)As(1-x) alloys is explained in the context of the valence band anticrossing model. The anticrossing interaction between the localized p-states of the Sb atoms and the extended states of the GaAs host leads to a significant reconfiguration of the valence band structure and results in a greatly enhanced scattering of holes by state broadening effects in As-rich alloys. These results suggest that the mobility drop is fundamental in nature and indicate that the valence band anticrossing model is capable of describing the electronic transport properties of highly mismatched alloys. (C) 2008 American Institute of Physics. C1 [Alberi, K.; Dubon, O. D.] Univ Calif Berkeley, Dept Mat Sci, Berkeley, CA 94720 USA. [Alberi, K.; Dubon, O. D.; Walukiewicz, W.; Yu, K. M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Gupta, J. A.; Baribeau, J. -M.] Natl Res Council Canada, Inst Microstruct Sci, Ottawa, ON K1A 0R6, Canada. RP Alberi, K (reprint author), Univ Calif Berkeley, Dept Mat Sci, Berkeley, CA 94720 USA. EM w_walukiewicz@lbl.gov RI Yu, Kin Man/J-1399-2012 OI Yu, Kin Man/0000-0003-1350-9642 NR 8 TC 3 Z9 3 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 APR 21 PY 2008 VL 92 IS 16 AR 162105 DI 10.1063/1.2912534 PG 3 WC Physics, Applied SC Physics GA 295DV UT WOS:000255456100030 ER PT J AU Clavero, C Skuza, JR Choi, Y Haskel, D Garcia-Martin, JM Cebollada, A Lukaszew, RA AF Clavero, C. Skuza, J. R. Choi, Y. Haskel, D. Garcia-Martin, J. M. Cebollada, A. Lukaszew, R. A. TI Control of the perpendicular magnetic anisotropy of FePd films via Pd capping deposition SO APPLIED PHYSICS LETTERS LA English DT Article ID X-RAY; SCATTERING; SURFACES AB We have investigated the influence of two capping layers (MgO and Pd) on the magnetic anisotropy of highly anisotropic L1(0) FePd films. While we mainly found perpendicular magnetic anisotropy in MgO capped films, we observed that the Pd capping layer induces formation of an additional new phase near the FePd/Pd interface that exhibits in-plane magnetic anisotropy. The combined effect of these two anisotropies results in global canted magnetic anisotropy. Thus, our findings illustrate a mechanism to influence the magnetic anisotropy in FePd highly ordered alloys via adequate choice of capping layer materials. (C) 2008 American Institute of Physics. C1 [Clavero, C.; Lukaszew, R. A.] Coll William & Mary, Dept Appl Sci, Williamsburg, VA 23187 USA. [Clavero, C.; Garcia-Martin, J. M.; Cebollada, A.] CSIC, CNM, Inst Microelect, Madrid, Spain. [Skuza, J. R.; Lukaszew, R. A.] Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. [Choi, Y.; Haskel, D.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Clavero, C (reprint author), Coll William & Mary, Dept Appl Sci, Williamsburg, VA 23187 USA. EM cclavero@wm.edu RI Skuza, Jonathan/E-9048-2010; Microelectronica de Madrid, Instituto de/D-5173-2013; Clavero, Cesar/C-4391-2008; Garcia-Martin, Jose Miguel/H-4434-2011; Cebollada, Alfonso/B-6754-2012 OI Skuza, Jonathan/0000-0002-9252-2708; Microelectronica de Madrid, Instituto de/0000-0003-4211-9045; Clavero, Cesar/0000-0001-6665-3141; Garcia-Martin, Jose Miguel/0000-0002-5908-8428; Cebollada, Alfonso/0000-0003-1990-4520 NR 12 TC 10 Z9 10 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 21 PY 2008 VL 92 IS 16 AR 162502 DI 10.1063/1.2916712 PG 3 WC Physics, Applied SC Physics GA 295DV UT WOS:000255456100036 ER PT J AU Takamura, Y Chopdekar, RV Arenholz, E Suzuki, Y AF Takamura, Y. Chopdekar, R. V. Arenholz, E. Suzuki, Y. TI Control of the magnetic and magnetotransport properties of La(0.67)Sr(0.33)MnO(3) thin films through epitaxial strain SO APPLIED PHYSICS LETTERS LA English DT Article ID X-RAY-ABSORPTION; PHASE-DIAGRAM; MAGNETORESISTANCE; LA1-XSRXMNO3; MANGANITES; TRANSITION AB The influence of epitaxial strain, in the form of tetragonal distortions, on the magnetic and magnetotransport properties of La(0.67)Sr(0.33)MnO(3) thin films was studied. The tetragonal distortion (c/a ratio) was modulated through the choice of the substrate, ranging from c/a=1.007 on (001)-oriented (LaAlO(3))(0.3)(Sr(2)AlTaO(6))(0.7) substrates to 0.952 on (110)-oriented GdScO(3) substrates. In agreement with previous theoretical predictions, these large values of tensile strain cause the Curie temperature and the saturation magnetization to decrease, alter the temperature dependence of the resistivity and magnetoresistance, and increase the resistivity by several orders of magnitude. (C) 2008 American Institute of Physics. C1 [Takamura, Y.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Takamura, Y.; Chopdekar, R. V.; Suzuki, Y.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Takamura, Y.; Chopdekar, R. V.; Arenholz, E.; Suzuki, Y.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Chopdekar, R. V.] Cornell Univ, Sch Appl Phys, Ithaca, NY 14853 USA. RP Takamura, Y (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. EM ytakamura@ucdavis.edu RI Chopdekar, Rajesh/D-2067-2009 OI Chopdekar, Rajesh/0000-0001-6727-6501 NR 18 TC 42 Z9 42 U1 2 U2 24 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 APR 21 PY 2008 VL 92 IS 16 AR 162504 DI 10.1063/1.2908051 PG 3 WC Physics, Applied SC Physics GA 295DV UT WOS:000255456100038 ER PT J AU van Benthem, K Painter, GS Averill, FW Pennycook, SJ Becher, PF AF van Benthem, Klaus Painter, Gayle S. Averill, Frank W. Pennycook, Stephen J. Becher, Paul F. TI Experimental probe of adsorbate binding energies at internal crystalline/amorphous interfaces in Gd-doped Si(3)N(4) SO APPLIED PHYSICS LETTERS LA English DT Article ID SILICON-NITRIDE CERAMICS; IMPROVED FRACTURE-TOUGHNESS; MICROSTRUCTURAL DESIGN; ALUMINA ADDITIVES; YTTRIA; FILMS AB Electron beam irradiation during scanning transmission electron microscopy has been used to probe the relative abundance and stabilities of gadolinium adsorption sites in polycrystalline silicon nitride ceramics. Site-specific binding strengths in the interface plane between beta-Si(3)N(4) grains and the adjacent amorphous triple pockets were found to be consistent with theoretical predictions. Decreasing stability was found for Gd within partially ordered planes further from the interface. Atomic level characterization such as that reported here provides detailed insights that will allow one to tailor new functional ceramic microstructures with improved macroscopic mechanical properties. (c) 2008 American Institute of Physics. C1 [van Benthem, Klaus] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Painter, Gayle S.; Pennycook, Stephen J.; Becher, Paul F.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Averill, Frank W.] Univ Tennessee, Ctr Mat Proc, Knoxville, TN 37996 USA. RP van Benthem, K (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM benthem@ornl.gov NR 23 TC 12 Z9 12 U1 2 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 21 PY 2008 VL 92 IS 16 AR 163110 DI 10.1063/1.2917566 PG 3 WC Physics, Applied SC Physics GA 295DV UT WOS:000255456100064 ER PT J AU Leavitt, CM Gresham, GL Benson, MT Gaumet, JJ Peterman, DR Klaehn, JR Moser, M Aubriet, F Van Stipdonk, MJ Groenewold, GS AF Leavitt, Christopher M. Gresham, Garold L. Benson, Michael T. Gaumet, Jean-Jacques Peterman, Dean R. Klaehn, John R. Moser, Megan Aubriet, Frederic Van Stipdonk, Michael J. Groenewold, Gary S. TI Investigations of acidity and nucleophilicity of diphenyidithiophosphinate ligands using theory and gas-phase dissociation reactions SO INORGANIC CHEMISTRY LA English DT Article ID RESONANCE MASS-SPECTROMETRY; SOLVATION MODEL; PK(A) VALUES; FREE-ENERGY; COMPLEXES; SEPARATIONS; EXTRACTION; SUBSTITUENT; LANTHANIDES; CYANEX-301 AB Diphenyldithiophosphinate (DTP) ligands modified with electron-withdrawing trifluoromethyl (TFM) substitutents are of high interest because they have demonstrated potential for exceptional separation of AM(3+) from lanthanide(3+) cations. Specifically, the bis(ortho-TFM) (L-1(-)) and (ortho-TFM)(meta-TFM) (L-2(-)) derivatives have shown excellent separation selectivity, while the bis(meta-TFM) (L-3(-)) and unmodified DTP (L-u(-)) did not. Factors responsible for selective coordination have been investigated using density functional theory (DFT) calculations in concert with competitive dissociation reactions in the gas phase. To evaluate the role of (DTP + H) acidity, density functional calculations were used to predict pK(a) values of the free acids (HLn), which followed the trend of HL3 < HL2 < HL1 < HLu. The order of pK(a) for the TFM-modified (DTP+H) acids was opposite of what would be expected based on the e(-)-withdrawing effects of the TFM group, suggesting that secondary factors influence the pK(a) and nucleophilicity. The relative nucleophilicities of the DTP anions were evaluated by forming metal-mixed ligand complexes in a trapped ion mass spectrometer and then fragmenting them using competitive collision induced dissociation. On the basis of these experiments, the unmodified L-u(-) anion was the strongest nucleophile. Comparing the TFM derivatives, the bis(ortho-TFM) derivative L-1(-) was found to be the strongest nucleophile, while the bis(meta-TFM) L-3(-) was the weakest, a trend consistent with the pK(a) calculations. DFT modeling of the Na+ complexes suggested that the elevated cation affinity of the L-1(-) and L-2(-) anions was due to donation of electron density from fluorine atoms to the metal center, which was occurring in rotational conformers where the TFM moiety was proximate to the Na+-dithiophosphinate group. Competitive dissociation experiments were performed with the dithiophosphinate anions complexed with europium nitrate species; ionic dissociation of these complexes always generated the TFM-modified dithiophosphinate anions as the product ion, showing again that the unmodified L-u(-) was the strongest nucleophile. The Eu(III) nitrate complexes also underwent redox elimination of radical ligands; the tendency of the ligands to undergo oxidation and be eliminated as neutral radicals followed the same trend as the nucleophilicities for Na+, viz. L-3(-) < L-2(-) < L-1(-) < L-u(-). C1 [Leavitt, Christopher M.; Van Stipdonk, Michael J.] Wichita State Univ, Wichita, KS USA. [Gresham, Garold L.; Benson, Michael T.; Peterman, Dean R.; Klaehn, John R.; Moser, Megan; Groenewold, Gary S.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Gaumet, Jean-Jacques; Aubriet, Frederic] Univ Paul Verlaine Metz, Lab Spectromet Masse & Chim Laser, Metz, France. RP Gresham, GL (reprint author), Wichita State Univ, Wichita, KS USA. EM garold.gresham@inl.gov RI Benson, Michael/B-8855-2017; Klaehn, John/C-6011-2017 OI Benson, Michael/0000-0003-4927-614X; Klaehn, John/0000-0002-7077-4509 NR 34 TC 15 Z9 15 U1 0 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD APR 21 PY 2008 VL 47 IS 8 BP 3056 EP 3064 DI 10.1021/ic7020897 PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 287FJ UT WOS:000254902000025 PM 18318486 ER PT J AU Palasyuk, A Dai, JC Corbett, JD AF Palasyuk, Andriy Dai, Jing-Cao Corbett, John D. TI SrAu4In4 and Sr4Au9In13: Polar intermetallic structures with cations in augmented hexagonal prismatic environments SO INORGANIC CHEMISTRY LA English DT Article ID GOLD SUBSTITUTION; CRYSTAL-STRUCTURE; ZIGZAG CHAINS; CLUSTER; EXAMPLES; INDIDES; METALS; STABILIZATION; NETWORKS; RB AB The title compounds were synthesized via high-temperature reactions of the elements in welded Ta tubes and. characterized by single-crystal X-ray diffraction analyses and band structure calculations. SrAu3.76(2)In4.24 Crystallizes in the YCo5In3 structure type with two of eight network sites occupied by mixtures of Au and In: Pnma, Z = 4, a = 13.946(7), b = 4.458(2), c = 12.921(6) angstrom. Its phase breadth appears to be small. Sr4Au9In13 exhibits a new structure type, P (6) over barm(2), Z= 1, a = 12.701(2), c = 4.4350(g) degrees. The Sr atoms in both compounds center hexagonal prisms of nominally alternating In and Au atoms and also have nine augmenting (outer) Au + In atoms around their waists so as to define 21-vertex Sr@Au9M4In8 (M = Au/In) and Sr@Au9In12 polyhedra, respectively. The relatively larger Sr content in the second phase also leads to condensation of some of the ideal building units into trefoil-like cages with edge-shared six-member rings. One overall driving force for the formation of these structures can be viewed as the need for each Sr cation to have as many close neighbors as possible in the more anionic Au-In network. The results also depend on the cation size as well as on the flexibility of the anionic network and an efficient intercluster condensation mode as all clusters are shared. Band structure calculations (LMTO-ASA) emphasize the greater strengths (overlap populations) of the Au-In bonds and confirm expectations that both compounds are metallic. C1 [Palasyuk, Andriy; Dai, Jing-Cao; Corbett, John D.] Iowa State Univ, Ames Lab, DOE, Ames, IA 50011 USA. [Palasyuk, Andriy; Dai, Jing-Cao; Corbett, John D.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Corbett, JD (reprint author), Iowa State Univ, Ames Lab, DOE, Ames, IA 50011 USA. EM jdc@ameslab.gov RI Dai, Jing-Cao/G-8427-2012 NR 40 TC 13 Z9 13 U1 1 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD APR 21 PY 2008 VL 47 IS 8 BP 3128 EP 3134 DI 10.1021/ic702145y PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 287FJ UT WOS:000254902000033 PM 18330980 ER PT J AU Beste, A Meunier, V Harrison, RJ AF Beste, Ariana Meunier, Vincent Harrison, Robert J. TI Electron transport in open systems from finite-size calculations: Examination of the principal layer method applied to linear gold chains SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID CURRENT-VOLTAGE CHARACTERISTICS; MOLECULAR WIRES; QUANTUM TRANSPORT; CONDUCTANCE; RESISTANCE; FORMALISM; JUNCTIONS; DEVICES; LENGTH AB We describe the occurrence of computational artifacts when the principal layer method is used in combination with the cluster approximation for the calculation of electronic transport properties of nanostructures. For a one-dimensional gold chain, we observe an unphysical band in the band structure. The artificial band persists for large principal layers and for large buffer sizes. We demonstrate that the assumption of equality between Hamiltonian elements of neighboring layers is no longer valid and that a discontinuity is introduced in the potential at the layer transition. The effect depends on the basis set. When periodic boundary conditions are imposed and the k-space sampling is converged, the discontinuity disappears and the principal layer method can be correctly applied by using a linear combination of atomic orbitals as basis set. (c) 2008 American Institute of Physics. C1 [Beste, Ariana; Meunier, Vincent; Harrison, Robert J.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. [Meunier, Vincent] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci Div, Oak Ridge, TN 37831 USA. [Harrison, Robert J.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Beste, A (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, POB 2008,MS 6367, Oak Ridge, TN 37831 USA. EM bestea@ornl.gov RI Meunier, Vincent/F-9391-2010; OI Meunier, Vincent/0000-0002-7013-179X; Beste, Ariana/0000-0001-9132-792X NR 51 TC 3 Z9 3 U1 0 U2 14 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 21 PY 2008 VL 128 IS 15 AR 154713 DI 10.1063/1.2905219 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 291WW UT WOS:000255228900083 PM 18433264 ER PT J AU Hlushak, SP Kalyuzhnyi, YV Cummings, PT AF Hlushak, S. P. Kalyuzhnyi, Yu. V. Cummings, P. T. TI Phase coexistence in polydisperse athermal polymer-colloidal mixture SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID THERMODYNAMIC PERTURBATION-THEORY; SELF-EXCLUDING POLYMERS; EQUILIBRIA; PARTICLES; BEHAVIOR; EQUATION; SYSTEMS; FLUIDS; STATE AB A theoretical scheme developed earlier [Y. V. Kalyuzhnyi et al., Chem. Phys. Lett. 443, 243 (2007 )] is used to calculate the full phase diagram of polydisperse athermal polymer-colloidal mixture with polydispersity in both colloidal and polymeric components. In the limiting case of bidisperse polymer-colloidal mixture, theoretical results are compared against computer simulation results. We present the cloud and shadow curves, critical binodals, and distribution functions of the coexisting phases and discuss the effects of polydispersity on their behavior. According to our analysis polydispersity extends the region of the phase instability, shifting the critical point to the lower values of the pressure and density. For the high values of the pressure polydispersity causes strong fractionation effects, with the large size colloidal particles preferring the low-density shadow phase and long chain length polymeric particles preferring the high-density shadow phase. (c) 2008 American Institute of Physics. C1 [Hlushak, S. P.; Kalyuzhnyi, Yu. V.] Inst Condensed Matter Phys, UA-79011 Lvov, Ukraine. [Cummings, P. T.] Vanderbilt Univ, Dept Chem Engn, Nashville, TN 37235 USA. [Cummings, P. T.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Nanomat Theory Inst, Oak Ridge, TN 37830 USA. RP Hlushak, SP (reprint author), Inst Condensed Matter Phys, Svientsitskoho 1, UA-79011 Lvov, Ukraine. EM yukal@icmp.lviv.ua RI Cummings, Peter/B-8762-2013 OI Cummings, Peter/0000-0002-9766-2216 NR 20 TC 7 Z9 8 U1 1 U2 8 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 21 PY 2008 VL 128 IS 15 AR 154907 DI 10.1063/1.2907723 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 291WW UT WOS:000255228900096 PM 18433277 ER PT J AU McGarrity, ES Frischknecht, AL Mackay, ME AF McGarrity, E. S. Frischknecht, A. L. Mackay, M. E. TI Phase behavior of polymer/nanoparticle blends near a substrate SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; HARD-SPHERE MIXTURES; THERMODYNAMIC PERTURBATION-THEORY; DIRECTIONAL ATTRACTIVE FORCES; WHITE BEAR VERSION; SURFACE-DEFECTS; FLUIDS; NANOPARTICLES; MODEL; CRYSTALLIZATION AB We use the recent fluids density functional theory of Tripathi and Chapman [Phys. Rev. Lett. 94, 087801 (2005); J. Chem. Phys. 122, 094506 (2005)] to investigate the phase behavior of athermal polymer/nanoparticle blends near a substrate. The blends are modeled as a mixture of hard spheres and freely jointed hard chains, near a hard wall. There is a first order phase transition present in these blends in which the nanoparticles expel the polymer from the surface to form a monolayer at a certain nanoparticle concentration. The nanoparticle transition density depends on the length of the polymer, the nanoparticle diameter, and the overall bulk density of the system. The phase transition is due to both packing entropy effects related to size asymmetry between the components and to the polymer configurational entropy, justifying the so-called "entropic push" observed in experiments. In addition, a layered state is found at higher densities which resembles that in colloidal crystals, in which the polymer and nanoparticles form alternating discrete layers. We show that this laminar state has nearly the same free energy as the homogeneously mixed fluid in the bulk and is nucleated by the surface. (c) 2008 American Institute of Physics. C1 [Frischknecht, A. L.] Sandia Natl Labs, CINT, Albuquerque, NM 87185 USA. [McGarrity, E. S.; Mackay, M. E.] Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. [Mackay, M. E.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Frischknecht, AL (reprint author), Sandia Natl Labs, CINT, POB 5800, Albuquerque, NM 87185 USA. EM alfrisc@sandia.gov RI Frischknecht, Amalie/N-1020-2014 OI Frischknecht, Amalie/0000-0003-2112-2587 NR 52 TC 46 Z9 46 U1 2 U2 22 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 21 PY 2008 VL 128 IS 15 AR 154904 DI 10.1063/1.2899329 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 291WW UT WOS:000255228900093 PM 18433274 ER PT J AU Griffa, M Anderson, BE Guyer, RA Ulrich, TJ Johnson, PA AF Griffa, M. Anderson, B. E. Guyer, R. A. Ulrich, T. J. Johnson, P. A. TI Investigation of the robustness of time reversal acoustics in solid media through the reconstruction of temporally symmetric sources SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article ID ULTRASONIC WAVE-PROPAGATION; CONNECTION MACHINE SIMULATION; BAFFLED PLANAR PISTON; MULTIPLE-SCATTERING; PHASE-CONJUGATION; CHAOTIC CAVITIES; TRANSIENT FIELD; ELASTIC-WAVES; ARRAYS; MIRROR AB We investigate some of the limitations of time reversal acoustics (TRA) in solid media with transducers attached to the surface. In particular, we consider the limitations due to the finite size of the transducers and elastic wave propagation. Using a theoretical approach, numerical simulations and validation from laboratory ultrasound experiments, we find that finite size transducers and the existence of longitudinal and shear waves play significant roles in perturbing the time reversal process. Despite these limitations, we show that TRA in solids is very robust, providing the means to reconstruct the main features of the source signal. The analysis of TRA retro-focusing properties in solid specimens is of foremost importance for the development of new non-destructive evaluation techniques. C1 [Griffa, M.; Anderson, B. E.; Guyer, R. A.; Ulrich, T. J.; Johnson, P. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Guyer, R. A.] Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA. RP Griffa, M (reprint author), Los Alamos Natl Lab, EES 11 Geophys,MS D443, Los Alamos, NM 87545 USA. EM mgriffa@lanl.gov RI Anderson, Brian/G-8819-2012; OI Griffa, Michele/0000-0001-8407-9438; Johnson, Paul/0000-0002-0927-4003 NR 75 TC 10 Z9 10 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0022-3727 J9 J PHYS D APPL PHYS JI J. Phys. D-Appl. Phys. PD APR 21 PY 2008 VL 41 IS 8 AR 085415 DI 10.1088/0022-3727/41/8/085415 PG 14 WC Physics, Applied SC Physics GA 279BH UT WOS:000254329500052 ER PT J AU Georgakakis, A Nandra, K Yan, R Willner, SP Lotz, JM Pierce, CM Cooper, MC Laird, ES Koo, DC Barmby, P Newman, JA Primack, JR Coil, AL AF Georgakakis, A. Nandra, K. Yan, R. Willner, S. P. Lotz, J. M. Pierce, C. M. Cooper, M. C. Laird, E. S. Koo, D. C. Barmby, P. Newman, J. A. Primack, J. R. Coil, A. L. TI The role of AGN in the colour transformation of galaxies at redshifts z approximate to 1 SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE surveys; galaxies : active; galaxies : bulges; galaxies : evolution; galaxies : interactions; cosmology : observations ID ACTIVE GALACTIC NUCLEI; DEEP FIELD-SOUTH; STAR-FORMING GALAXIES; EXTENDED GROTH STRIP; X-RAY-PROPERTIES; ULTRALUMINOUS INFRARED GALAXIES; ADVECTION-DOMINATED ACCRETION; SUPERMASSIVE BLACK-HOLES; SKY SURVEY FIELDS; HOST GALAXIES AB We explore the role of active galactic nuclei (AGN) in establishing and/or maintaining the bimodal colour distribution of galaxies by quenching their star formation and hence, causing their transition from the blue to the red cloud. Important tests for this scenario include (i) the X-ray properties of galaxies in the transition zone between the two clouds and (ii) the incidence of AGN in post-starbursts, i.e. systems observed shortly after (< 1 Gyr) the termination of their star formation. We perform these tests by combining deep Chandra observations with multiwavelength data from the All-wavelength Extended Groth strip International Survey (AEGIS). Stacking the X-ray photons at the positions of galaxies (0.4 < z < 0.9) not individually detected at X-ray wavelengths suggests a population of obscured AGN among sources in the transition zone and in the red cloud. Their mean X-ray and mid-infrared (IR) properties are consistent with moderately obscured low-luminosity AGN, Compton thick sources or a mix of both. Morphologies show that major mergers are unlikely to drive the evolution of this population but minor interactions may play a role. The incidence of obscured AGN in the red cloud (both direct detections and stacking results) suggests that black hole (BH) accretion outlives the termination of the star formation. This is also supported by our finding that post-starburst galaxies at z approximate to 0.8 and AGN are associated, in agreement with recent results at low z. A large fraction of post-starbursts and red cloud galaxies show evidence for at least moderate levels of AGN obscuration. This implies that if AGN outflows cause the colour transformation of galaxies, then some nuclear gas and dust clouds either remain unaffected or relax to the central galaxy regions after quenching their star formation. C1 [Georgakakis, A.; Nandra, K.; Laird, E. S.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, Astrophys Grp, London SW7 2BZ, England. [Yan, R.; Cooper, M. C.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Willner, S. P.; Barmby, P.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Lotz, J. M.; Pierce, C. M.; Primack, J. R.] Univ Calif Santa Cruz, Dept Phys, Santa Cruz, CA 95064 USA. [Lotz, J. M.] Natl Opt Astron Observ, Tucson, AZ 85719 USA. [Cooper, M. C.; Coil, A. L.] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. [Koo, D. C.] Univ Calif Santa Cruz, Univ Calif Observ, Lick Observ, Santa Cruz, CA 95064 USA. [Koo, D. C.] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Newman, J. A.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Georgakakis, A (reprint author), Univ London Imperial Coll Sci Technol & Med, Blackett Lab, Astrophys Grp, Prince Consort Rd, London SW7 2BZ, England. EM age@ic.ac.uk RI Georgakakis, Antonis/K-4457-2013; Barmby, Pauline/I-7194-2016; OI Barmby, Pauline/0000-0003-2767-0090; Georgakakis, Antonis/0000-0002-3514-2442 NR 94 TC 68 Z9 68 U1 1 U2 2 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD APR 21 PY 2008 VL 385 IS 4 BP 2049 EP 2060 DI 10.1111/j.1365-2966.2008.12962.x PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 290SI UT WOS:000255142100032 ER PT J AU Snezhko, A Ben Jacob, E Aranson, IS AF Snezhko, Alexey Ben Jacob, Eshel Aranson, Igor S. TI Pulsating-gliding transition in the dynamics of levitating liquid nitrogen droplets SO NEW JOURNAL OF PHYSICS LA English DT Article ID SELF-INDUCED VIBRATION; DROPS; SURFACES; MOTION AB Hot surfaces can cause levitation of small liquid droplets if the temperature is kept above the Leidenfrost point ( 220 degrees C for water) due to the pressure formed because of rapid evaporation. Here, we demonstrate a new class of pulsating - gliding dynamic transitions in a special setting of the Leidenfrost effect at room temperatures and above a viscous fluid for droplets of liquid nitrogen. A whole range of highly dynamic patterns unfolds when droplets of liquid nitrogen are poured on the surface of another, more viscous liquid at room temperature. We also discovered that the levitating droplets induce vortex motion in the supporting viscous liquid. Depending on the viscosity of the supporting liquid, the nitrogen droplets either adopt an oscillating ( pulsating) star- like shape with different azimuthal symmetries ( from 2 - 9 petals) or glide on the surface with random trajectories. Thus, by varying the viscosity of the supporting liquid, we achieve controlled morphology and dynamics of Leidenfrost droplets. C1 [Snezhko, Alexey; Aranson, Igor S.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Ben Jacob, Eshel] Tel Aviv Univ, Sch Phys & Astron, IL-69978 Tel Aviv, Israel. RP Snezhko, A (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM aranson@msd.anl.gov RI Aranson, Igor/I-4060-2013 NR 22 TC 21 Z9 21 U1 5 U2 17 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD APR 21 PY 2008 VL 10 AR 043034 DI 10.1088/1367-2630/10/4/043034 PG 12 WC Physics, Multidisciplinary SC Physics GA 299ZA UT WOS:000255792900001 ER PT J AU Ohkawa, T Ikegami, M Qiang, J Saha, P AF Ohkawa, Tomohiro Ikegami, Masanori Qiang, Ji Saha, Pranab TI Macro-particle simulation study on transverse halo collimator for J-PARC linac SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE halo collimator; foil thickness; beam loss ID BEAMS AB To realize the transverse emittance required for the ring injection, a transverse halo collimation system of the charge-exchange type has been developed for J-PARC (Japan Proton Accelerator Research Complex) linac. In this type of collimation system, negative hydrogen ions constituting a tail portion are charge-exchanged to protons with thin foil collimators. Then, the generated protons are separated by a bending magnet to be delivered to a dedicated beam dump. Because a two-species beam is transported along the collimation system, a special care is to be taken to avoid the uncontrolled beam loss along the beam transport. To this end, it is of practical importance to develop an accurate numerical model that has the capability of both particle tracking with space-charge effects and modeling of scattering at the charge-exchange foil. In this paper, a numerical model is developed for the collimation system using a three-dimensional particle-in-cell code, IMPACT, and a Monte-Carlo simulation tool kit, GEANT. Uncontrolled beam loss along the collimation system has been evaluated with this model, and the optimum foil thickness has been determined for the collimation system. (c) 2008 Elsevier B.V. All rights reserved. C1 [Ohkawa, Tomohiro; Saha, Pranab] JAEA, Ibaraki 3191195, Japan. [Ikegami, Masanori] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 3050801, Japan. [Qiang, Ji] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Ohkawa, T (reprint author), JAEA, 2-4 Shirakata Shirane, Ibaraki 3191195, Japan. EM tomohiro.ohkawa@j-parc.jp NR 24 TC 2 Z9 2 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 21 PY 2008 VL 589 IS 1 BP 1 EP 12 DI 10.1016/j.nima.2008.02.014 PG 12 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 301GC UT WOS:000255883400001 ER PT J AU Schober, H Farhi, E Mezei, F Allenspach, P Andersen, K Bentley, PM Christiansen, P Cubitt, B Heenan, RK Kulda, J Langan, P Lefmann, K Lieutenant, K Monkenbusch, M Willendrup, P Saroun, J Tindemans, P Zsigmond, G AF Schober, H. Farhi, E. Mezei, F. Allenspach, P. Andersen, K. Bentley, P. M. Christiansen, P. Cubitt, B. Heenan, R. K. Kulda, J. Langan, P. Lefmann, K. Lieutenant, K. Monkenbusch, M. Willendrup, P. Saroun, J. Tindemans, P. Zsigmond, G. TI Tailored instrumentation for long-pulse neutron spallation sources SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE neutron scattering; instrument simulation; Monte Carlo simulation; spallation neutron sources ID SPECTROMETER; SCATTERING; SYSTEMS AB Long-pulse spallation sources will offer a very high time-integrated neutron flux similar to that of the best steady-state sources. Using Monte Carlo simulations we show that the exceptional source qualities translate directly into strongly enhanced instrument performance for a large class of instruments ranging from high-resolution backscattering to low-resolution small-angle scattering. The relation of the source duty cycle to the required wavelength resolution of the instrument is in this context a crucial performance indicator. Very large additional gains are achievable by properly tailoring the instrument parameters to the source characteristics and by fully exploiting modern neutron optics. In all cases investigated the long-pulse structure can be turned into an asset for the instrument design by using the known concepts of pulse shaping and frame multiplication. (c) 2008 Elsevier B.V. All rights reserved. C1 [Schober, H.; Farhi, E.; Andersen, K.; Cubitt, B.; Kulda, J.; Lieutenant, K.] Inst Max Von Laue Paul Langevin, F-38042 Grenoble 9, France. [Mezei, F.; Bentley, P. M.] Hahn Meitner Inst Berlin GmbH, D-14109 Berlin, Germany. [Mezei, F.; Langan, P.] LANL, Los Alamos, NM 87545 USA. [Allenspach, P.; Zsigmond, G.] Paul Scherrer Inst, CH-5232 Villigen, PSI, Switzerland. [Christiansen, P.; Lefmann, K.; Willendrup, P.] Tech Univ Denmark, Riso Natl Lab, DK-4000 Roskilde, Denmark. [Heenan, R. K.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Monkenbusch, M.] Forschungszentrum, D-52425 Julich, Germany. [Tindemans, P.] ESS I, F-38042 Grenoble 9, France. RP Farhi, E (reprint author), Inst Max Von Laue Paul Langevin, BP 156, F-38042 Grenoble 9, France. EM farhi@ill.fr RI Saroun, Jan/I-6954-2013; Willendrup, Peter/E-3667-2014; Lefmann, Kim/M-9228-2014; Langan, Paul/N-5237-2015; Kulda, Jiri/G-8667-2016 OI Willendrup, Peter/0000-0002-4238-9478; Lefmann, Kim/0000-0003-4282-756X; Langan, Paul/0000-0002-0247-3122; Kulda, Jiri/0000-0002-0570-0570 NR 32 TC 19 Z9 19 U1 0 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 21 PY 2008 VL 589 IS 1 BP 34 EP 46 DI 10.1016/j.nima.2008.01.102 PG 13 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 301GC UT WOS:000255883400004 ER PT J AU Lee, TH Menlove, HO Lee, SY Kim, HD AF Lee, Tae-Hoon Menlove, Howard O. Lee, Sang-Yoon Kim, Ho-Dong TI Development of the ACP safeguards neutron counter for PWR spent fuel rods SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE passive neutron multiplicity counter; spent fuel rods; calibration; ORIGEN-ARP; MCNPX AB An advanced neutron multiplicity counter has been developed for measuring spent fuel in the Advanced spent fuel Conditioning Process (ACP) at the Korea Atomic Energy Research Institute (KAERI). The counter uses passive neutron multiplicity counting to measure the Cm-244 content in spent fuel. The input to the ACP process is spent fuel from pressurized water reactors (PWRs), and the high intensity of the gamma-ray exposure from spent fuel requires a careful design of the counter to measure the neutrons without gamma-ray interference. The nuclear safeguards for the ACP facility requires the measurement of the spent fuel input to the process and the Cm/Pu ratio for the plutonium mass accounting. This paper describes the first neutron counter that has been used to measure the neutron multiplicity distribution from spent fuel rods. Using multiple samples of PWR spent fuel rod-cuts, the singles (S), doubles (D), and triples (T) rates of the neutron distribution for the Cm-244 nuclide were measured and calibration curves were produced. MCNPX code simulations were also performed to obtain the three counting rates and to compare them with the measurement results. The neutron source term was evaluated by using the ORIGEN-ARP code. The results showed systematic difference of 21-24% in the calibration graphs between the measured and simulation results. A possible source of the difference is that the burnup codes have a Cm-244 uncertainty greater than +/- 15% and it would be systematic for all of the calibration samples. The S/D and D/T ratios are almost constant with an increment of the Cm-244 mass, and this indicates that the bias is in the Cm-244 neutron source calculation using the ORIGEN-ARP source code. The graphs of S/D and D/T ratios show excellent agreement between measurement and MCNPX simulation results. (c) 2008 Elsevier B.V. All rights reserved. C1 [Lee, Tae-Hoon; Kim, Ho-Dong] Korea Atom Energy Res Inst, Taejon 305353, South Korea. [Menlove, Howard O.; Lee, Sang-Yoon] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Lee, TH (reprint author), Korea Atom Energy Res Inst, Taejon 305353, South Korea. EM typhoon@kaeri.re.kr NR 6 TC 5 Z9 5 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 21 PY 2008 VL 589 IS 1 BP 57 EP 65 DI 10.1016/j.nima.2008.02.054 PG 9 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 301GC UT WOS:000255883400006 ER PT J AU Jung, JW Gamwo, IK AF Jung, Jonghwun Gamwo, Isaac K. TI Multiphase CFD-based models for chemical looping combustion process: Fuel reactor modeling SO POWDER TECHNOLOGY LA English DT Article DE chemical looping combustion; multiphase hydrodynamics; CO2 capture; circulating fluidized bed ID OXYGEN CARRIERS; FLUIDIZED-BED; GRANULAR TEMPERATURES; PARTICLE CIRCULATION; CO2 SEPARATION; KINETIC-THEORY; SYSTEM; SIMULATION; REDUCTION; OXIDATION AB Chemical looping combustion (CLC) is a flameless two-step fuel combustion that produces a pure CO2 stream, ready for compression and sequestration. The process is composed of two interconnected fluidized bed reactors. The air reactor which is a conventional circulating fluidized bed and the fuel reactor which is a bubbling fluidized bed. The basic principle is to avoid the direct contact of air and fuel during the combustion by introducing a highly-reactive metal particle, referred to as oxygen carrier, to transport oxygen from the air to the fuel. In the process, the products from combustion are kept separated from the rest of the flue gases namely nitrogen and excess oxygen. This process eliminates the energy intensive step to separate the CO2 from nitrogen-rich flue gas that reduce the thermal efficiency. Fundamental knowledge of multiphase reactive fluid dynamic behavior of the gas-solid flow is essential for the optimization and operation of a chemical looping combustor. Our recent thorough literature review shows that multiphase CFD-based models have not been adapted to chemical looping combustion processes in the open literature. In this study, we have developed the reaction kinetics model of the fuel reactor and implemented the kinetic model into a multiphase hydrodynamic model, MFIX, developed earlier at the National Energy Technology Laboratory. Simulated fuel reactor flows revealed high weight fraction of unburned methane fuel in the flue gas along with CO2 and H2O. This behavior implies high fuel loss at the exit of the reactor and indicates the necessity to increase the residence time, say by decreasing the fuel flow rate, or to recirculate the unburned methane after condensing and removing CO2 (C) 2008 Elsevier B.V. All rights reserved. C1 [Gamwo, Isaac K.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Jung, Jonghwun] Argonne Natl Lab, Argonne, IL 60439 USA. RP Gamwo, IK (reprint author), US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM Gamwo@netl.doe.gov NR 37 TC 63 Z9 65 U1 5 U2 40 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0032-5910 J9 POWDER TECHNOL JI Powder Technol. PD APR 21 PY 2008 VL 183 IS 3 BP 401 EP 409 DI 10.1016/j.powtec.2008.01.019 PG 9 WC Engineering, Chemical SC Engineering GA 301TU UT WOS:000255919300008 ER PT J AU Fossati, G Buckley, JH Bond, IH Bradbury, SM Carter-Lewis, DA Chow, YCK Cui, W Falcone, AD Finley, JP Gaidos, JA Grube, J Holder, J Horan, D Horns, D Jordan, MM Kieda, DB Kildea, J Krawczynski, H Krennrich, F Lang, MJ LeBohec, S Lee, K Moriarty, P Ong, RA Petry, D Quinn, J Sembroski, GH Wakely, SP Weekes, TC AF Fossati, G. Buckley, J. H. Bond, I. H. Bradbury, S. M. Carter-Lewis, D. A. Chow, Y. C. K. Cui, W. Falcone, A. D. Finley, J. P. Gaidos, J. A. Grube, J. Holder, J. Horan, D. Horns, D. Jordan, M. M. Kieda, D. B. Kildea, J. Krawczynski, H. Krennrich, F. Lang, M. J. LeBohec, S. Lee, K. Moriarty, P. Ong, R. A. Petry, D. Quinn, J. Sembroski, G. H. Wakely, S. P. Weekes, T. C. TI Multiwavelength observations of Markarian 421 in 2001 March: An unprecedented view on the X-ray/TeV correlated variability SO ASTROPHYSICAL JOURNAL LA English DT Article DE BL Lacertae objects : individual (Mrk 421); galaxies : active; galaxies : jets; gamma rays : observations; radiation mechanisms : nonthermal; X-rays : individual (Mrk 421) ID ACTIVE GALACTIC NUCLEI; SPECTRAL ENERGY-DISTRIBUTIONS; TEV BLAZAR MARKARIAN-421; RAY TIMING EXPLORER; BL-LAC OBJECTS; GAMMA-RAYS; LACERTAE OBJECTS; STRONG FLARES; EMISSION; EVOLUTION AB We present a detailed analysis of week-long simultaneous observations of the blazar Mrk 421 at 2-60 keV X-rays (RXTE) and TeV gamma-rays (Whipple and HEGRA) in 2001. Accompanying optical monitoring was performed with the Mt. Hopkins 48 inch telescope. The unprecedented quality of this data set enables us to establish the existence of the correlation between the TeV and X-ray luminosities, and also to start unveiling some of its characteristics, in particular its energy dependence and time variability. The source shows strong variations in both X-ray and gamma-ray bands, which are highly correlated. No evidence of an X-ray/gamma-ray interband lag tau is found on the full week data set, with tau less than or similar to 3 ks. A detailed analysis of the March 19 flare, however, reveals that data are not consistent with the peak of the outburst in the 2-4 keVX-ray and TeV band being simultaneous. We estimate a 2: 1 +/-0: 7 ks TeV lag. The amplitudes of the X-ray and gamma-ray variations are also highly correlated, and the TeV luminosity increases more than linearly with respect to the X-ray one. The high degree of correlation lends further support to the standard model in which a unique electron population produces the X-rays by synchrotron radiation and the gamma-ray component by inverse Compton scattering. However, the finding that for the individual best observed flares the gamma-ray flux scales approximately quadratically with respect to the X-ray flux poses a serious challenge to emission models for TeV blazars, as it requires rather special conditions and/or fine tuning of the temporal evolution of the physical parameters of the emission region. We briefly discuss the astrophysical consequences of these new findings in the context of the competing models for the jet emission in blazars. C1 [Fossati, G.] Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA. [Buckley, J. H.; Krawczynski, H.; Lee, K.] Washington Univ, Dept Phys, St Louis, MO 63130 USA. [Bond, I. H.; Bradbury, S. M.; Grube, J.] Univ Leeds, Sch Phys & Astron, Leeds LS2 9JT, W Yorkshire, England. [Carter-Lewis, D. A.; Petry, D.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Chow, Y. C. K.; Ong, R. A.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Cui, W.; Finley, J. P.; Gaidos, J. A.; Sembroski, G. H.] Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. [Falcone, A. D.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Holder, J.] Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA. [Horan, D.; Kildea, J.; Weekes, T. C.] Harvard Smithsonian Ctr Astrophys, Fred Lawrence Whipple Obsev, Amado, AZ 85645 USA. [Horan, D.] Argonne Natl Lab, Argonne, IL 60439 USA. [Horan, D.] Univ Hamburg, Inst Expt Phys, Hamburg, Germany. [Jordan, M. M.] Raytheon Co, Tucson, AZ 85706 USA. [Kieda, D. B.; LeBohec, S.] Univ Utah, Dept Phys, Salt Lake City, UT 84112 USA. [Lang, M. J.] Natl Univ Ireland Univ Coll Galway, Dept Phys, Galway, Ireland. [Moriarty, P.] Galway Mayo Inst Technol, Sch Sci, Galway, Ireland. [Petry, D.] Max Planck Inst Extraterr Phys, D-85741 Garching, Germany. [Quinn, J.] Univ Coll Dublin, Sch Phys, Dublin 4, Ireland. [Wakely, S. P.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. RP Fossati, G (reprint author), Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA. EM gfossati@rice.edu; buckley@wuphys.wustl.edu RI Fossati, Giovanni/A-5841-2009; Horns, Dieter/C-9727-2011; OI Cui, Wei/0000-0002-6324-5772; Lang, Mark/0000-0003-4641-4201 NR 55 TC 109 Z9 109 U1 0 U2 2 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 20 PY 2008 VL 677 IS 2 BP 906 EP 925 DI 10.1086/527311 PG 20 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 287DV UT WOS:000254898000009 ER PT J AU Kaneko, Y Gonzalez, MM Preece, RD Dingus, BL Briggs, MS AF Kaneko, Yuki Gonzalez, M. Magdalena Preece, Robert D. Dingus, Brenda L. Briggs, Michael S. TI Broadband spectral properties of bright high-energy gamma-ray bursts observed with BATSE and EGRET SO ASTROPHYSICAL JOURNAL LA English DT Article DE gamma rays : bursts; gamma rays : observations ID COMPONENT; EMISSION; COMPTEL; CATALOG; GRB-941017; EVOLUTION; MODEL AB We present the spectral analysis of duration-integrated broadband spectra (in similar to 30 keV-200 MeV) of 15 bright BATSE gamma-ray bursts (GRBs). Some GRB spectra are very hard, with their spectral peak energies being above the BATSE LAD passband limit of similar to 2 MeV. In such cases, their high-energy spectral parameters (peak energy and high-energy power-law indices) cannot be adequately constrained by BATSE LAD data alone. A few dozen bright BATSE GRBs were also observed with EGRET's calorimeter, TASC, in multi-MeV energy band, with a large effective area and fine energy resolution. Combining the BATSE and TASC data, therefore, affords spectra that span four decades of energy (30-200 MeV), allowing for a broadband spectral analysis with good statistics. Studying such broadband high-energy spectra of GRB prompt emission is crucial, as they provide key clues to understanding its gamma-ray emission mechanism. Among the 15 GRB spectra, we found two cases with a significant high-energy excess, and another case with a extremely high peak energy (E-peak greater than or similar to 170 MeV). There have been very limited number of GRBs observed at MeV energies and above, and only a few instruments have been capable of observing GRBs in this energy band with such high sensitivity. Thus, our analysis results presented here should also help predict GRB observations with current and future high-energy instruments such as AGILE and GLAST, as well as with ground-based very-high-energy telescopes. C1 [Kaneko, Yuki] Univ Space Res Assoc, NSSTC, Huntsville, AL 35805 USA. [Gonzalez, M. Magdalena] Univ Nacl Autonoma Mexico, Inst Astron, Mexico City 04510, DF, Mexico. [Preece, Robert D.; Briggs, Michael S.] Univ Alabama, NSSTC, Dept Phys, Huntsville, AL 35805 USA. [Dingus, Brenda L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kaneko, Y (reprint author), Univ Space Res Assoc, NSSTC, VP62, Huntsville, AL 35805 USA. EM ykaneko@usra.edu OI Dingus, Brenda/0000-0001-8451-7450; Preece, Robert/0000-0003-1626-7335 NR 31 TC 42 Z9 42 U1 0 U2 4 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 20 PY 2008 VL 677 IS 2 BP 1168 EP 1183 DI 10.1086/529486 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 287DV UT WOS:000254898000030 ER PT J AU McBreen, S Foley, S Watson, D Hanlon, L Malesani, D Fynbo, JPU Kann, DA Gehrels, N McGlynn, S Palmer, D AF McBreen, S. Foley, S. Watson, D. Hanlon, L. Malesani, D. Fynbo, J. P. U. Kann, D. A. Gehrels, N. McGlynn, S. Palmer, D. TI The spectral lag of GRB 060505: A likely member of the long-duration class SO ASTROPHYSICAL JOURNAL LETTERS LA English DT Article DE gamma rays : bursts ID GAMMA-RAY BURST; BRIGHT SUPERNOVA; ALERT TELESCOPE; HOST GALAXY; GRB; CONNECTION; LUMINOSITY; GRB-050709; AFTERGLOW; EMISSION AB Two long gamma-ray bursts, GRB 060505 and GRB 060614, occurred in nearby galaxies at redshifts of 0.089 and 0.125, respectively. Due to their proximity and durations, deep follow-up campaigns to search for supernovae (SNe) were initiated. However, none were found in either case, to limits more than 2 orders of magnitude fainter than the prototypical GRB-associated SN, 1998bw. It was suggested that the bursts, in spite of their durations (similar to 4 and 102s), belonged to the population of short GRBs which has been shown to be unrelated to SNe. In the case of GRB 060614 this argument was based on a number of indicators, including the negligible spectral lag, which is consistent with that of short bursts. GRB 060505 has a shorter duration, but no spectral lag was measured. We present the spectral lag measurements of GRB 060505 using Suzaku's Wide Area Monitor and the Swift Burst Alert Telescope. We find that the lag is 0.36 +/- 0.05 s, inconsistent with the lags of short bursts and consistent with the properties of long bursts and SN GRBs. These results support the association of GRB 060505 with other low-luminosity GRBs also found in star-forming galaxies and indicate that at least some massive stars may die without bright SNe. C1 [McBreen, S.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Foley, S.; Hanlon, L.; McGlynn, S.] Univ Coll Dublin, Sch Phys, Dublin 4, Ireland. [Malesani, D.; Fynbo, J. P. U.] Univ Copenhagen, Dark Cosmol Ctr, Niels Bohr Inst, DK-2100 Copenhagen, Denmark. [Gehrels, N.] Thuringer Landessternwarte Tautenburg, D-07778 Tautenburg, Germany. [Gehrels, N.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Palmer, D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP McBreen, S (reprint author), Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. EM smcbreen@mpe.mpg.de; sfoley@bermuda.ucd.ie; darach@dark-cosmology.dk; lorraine.hanlon@ucd.ie; malesani@dark-cosmology.dk; jfynbo@dark-cosmology.dk; kann@tls-tautenburg.de; gehrels@milkyway.gsfc.nasa.gov; smcglynn@bermuda.ucd.ie; palmer@lanl.gov RI Gehrels, Neil/D-2971-2012; Fynbo, Johan/L-8496-2014; Watson, Darach/E-4521-2015; XRAY, SUZAKU/A-1808-2009 OI Fynbo, Johan/0000-0002-8149-8298; Watson, Darach/0000-0002-4465-8264; NR 56 TC 28 Z9 28 U1 0 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 2041-8205 J9 ASTROPHYS J LETT JI Astrophys. J. Lett. PD APR 20 PY 2008 VL 677 IS 2 BP L85 EP L88 DI 10.1086/588189 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 292AC UT WOS:000255237700003 ER PT J AU Ranatunga, K Keenan, RJ Wullschleger, SD Post, WA Tharp, ML AF Ranatunga, Kemachandra Keenan, Rodney J. Wullschleger, Stan D. Post, Wilfred A. Tharp, M. Lynn TI Effects of harvest management practices on forest biomass and soil carbon in eucalypt forests in New South Wales, Australia: Simulations with the forest succession model LINKAGES SO FOREST ECOLOGY AND MANAGEMENT LA English DT Article DE forest biomass; carbon cycle; harvesting; disturbance; gap models; soil carbon ID ECOSYSTEM MODEL; COMPUTER-MODEL; NITROGEN; STORAGE; EQUATIONS; INDICATOR; CLIMATE; TREES AB Understanding long-term changes in forest ecosystem carbon stocks under forest management practices such as timber harvesting is important for assessing the contribution of forests to the global carbon cycle. Harvesting effects are complicated by the amount, type, and condition of residue left on-site, the decomposition rate of this residue, the incorporation of residue into soil organic matter and the rate of new detritus input to the forest floor from regrowing vegetation. In an attempt to address these complexities, the forest succession model LINKAGES was used to assess the production of aboveground biomass, detritus, and soil carbon stocks in native Eucalyptus forests as influenced by five harvest management practices in New South Wales, Australia. The original decomposition sub-routines of LINKAGES were modified by adding components of the Rothamsted (RothC) soil organic matter turnover model. Simulation results using the new model were compared to data from long-term forest inventory plots. Good agreement was observed between simulated and measured above-ground biomass, but mixed results were obtained for basal area. Harvesting operations examined included removing trees for quota sawlogs (QSL, DBH >80 cm), integrated sawlogs (ISL, DBH >20 cm) and whole-tree harvesting in integrated sawlogs (WTH). We also examined the impact of different cutting cycles (20, 50 or 80 years) and intensities (removing 20, 50 or 80 m 3). Generally medium and high intensities of shorter cutting cycles in sawlog harvesting systems produced considerably higher soil carbon values compared to no harvesting. On average, soil carbon was 2-9% lower in whole-tree harvest simulations whereas in sawlog harvest simulations soil carbon was 5-17% higher than in no harvesting. (C) 2008 Elsevier B.V. All rights reserved. C1 [Ranatunga, Kemachandra] Bur Rural Sci & CRC Greenhouse Accounting, Dept Agr Fisheries & Forestry, Canberra, ACT 2601, Australia. [Keenan, Rodney J.] Univ Melbourne, Sch Forest & Ecosyst Sci, Creswick, Vic 3363, Australia. [Wullschleger, Stan D.; Post, Wilfred A.; Tharp, M. Lynn] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Ranatunga, K (reprint author), Bur Rural Sci & CRC Greenhouse Accounting, Dept Agr Fisheries & Forestry, GPO Box 858, Canberra, ACT 2601, Australia. EM Kema.Ranatunga@brs.gov.au RI Wullschleger, Stan/B-8297-2012; Post, Wilfred/B-8959-2012; Brilhante, Jackson /F-5783-2016; OI Wullschleger, Stan/0000-0002-9869-0446; Keenan, Rodney/0000-0002-2804-4975 NR 27 TC 12 Z9 14 U1 1 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-1127 J9 FOREST ECOL MANAG JI For. Ecol. Manage. PD APR 20 PY 2008 VL 255 IS 7 BP 2407 EP 2415 DI 10.1016/j.foreco.2008.01.002 PG 9 WC Forestry SC Forestry GA 304YB UT WOS:000256143900037 ER PT J AU Collins, B Battaglia, LL AF Collins, Beverly Battaglia, Loretta L. TI Oak regeneration in southeastern bottomland hardwood forest SO FOREST ECOLOGY AND MANAGEMENT LA English DT Article; Proceedings Paper CT National Convention of the Society-of-American-Foresters CY OCT, 2006 CL Pittsburgh, PA SP Soc Amer Foresters, C 1 Ecol Working Grp, D 2 Silviculture Working Grp DE canopy gap; flooding; large-scale experiment; microsite ID WHITE-TAILED DEER; QUERCUS-MICHAUXII REGENERATION; EXPERIMENTAL CANOPY GAPS; OLD-GROWTH FOREST; CHERRYBARK OAK; FLOODPLAIN FOREST; SEEDLINGS; DYNAMICS; PATTERNS; LIGHT AB Oaks (Quercus spp.), such as cherrybark oak (Quercus pagoda Raf.), are valuable timber species in bottomland hardwood (BLH) forests of the southeastern U.S. Oak regeneration is affected by plant flooding tolerance; wind disturbances or forest harvests; and interactions with seed predators and herbivores. We investigated oak regeneration (seedling establishment and early growth, composition of seedling and sapling banks) in experimental openings, from 7 to 40 m radius, created by group-selection harvest in a BLH forest. Seed dispersal, seed predation, and microsite conditions on the forest floor, rather than canopy openness, were the first filters on oak regeneration. In the first 3 years after gap creation, naturally established oak seedlings were most abundant in relatively 'undisturbed' microsites with litter cover and around gap edges. Swamp chestnut oak (Quercus michauxii Nutt.) germination was inhibited in pits, and seedling establishment was greatest under edge or less open canopy. Cherrybark oak seedling establishment and growth were reduced by seed predation and shade. Six years after acorns were planted, swamp chestnut oak seedling height and maximum root depth were greatest in gap centers. Ten years after gap creation, oaks were more abundant beneath the surrounding forest canopy, but were tallest in gap centers. Thus, in contrast to its lack of influence on acorn germination and initial establishment, canopy openness appears to filter oak persistence and height growth in the seedling bank. Forest management that provides level or raised microsites beneath thin canopy and protection from seed predation can facilitate oak seedling establishment in southeastern BLH forests. Maintaining a thin to open canopy can promote oak persistence in the seedling bank; growth into the sapling bank may require reopening the canopy if gap centers have grown up over time. Although longer study time is needed to capture regeneration from seed germination through ascent from the sapling layer into the subcanopy and canopy strata, this large field experiment has revealed there is no optimal gap size for oak regeneration. Rather, biotic interactions, canopy openness, and particularly flood duration at the microsite scale create complex patterns of oak abundance and heights in the seedling and sapling layers following disturbance in bottomland hardwood forests. (C) 2007 Elsevier B.V. All rights reserved. C1 [Collins, Beverly; Battaglia, Loretta L.] Savannah River Ecol Lab, Aiken, SC 29802 USA. [Battaglia, Loretta L.] So Illinois Univ, Dept Plant Biol, Carbondale, IL 62901 USA. [Battaglia, Loretta L.] So Illinois Univ, Ctr Ecol, Carbondale, IL 62901 USA. RP Collins, B (reprint author), Western Carolina Univ, Dept Biol, Cullowhee, NC 28723 USA. EM collinsb@email.wcu.edu; lbattaglia@plant.siu.edu NR 49 TC 13 Z9 13 U1 3 U2 28 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-1127 J9 FOREST ECOL MANAG JI For. Ecol. Manage. PD APR 20 PY 2008 VL 255 IS 7 BP 3026 EP 3034 DI 10.1016/j.foreco.2007.09.023 PG 9 WC Forestry SC Forestry GA 304YB UT WOS:000256143900100 ER PT J AU Wang, CM Lin, TY Caflisch, R Cohen, BI Dimits, AM AF Wang, Chiaming Lin, Tungyou Caflisch, Russel Cohen, Bruce I. Dimits, Andris M. TI Particle simulation of coulomb collisions: Comparing the methods of Takizuka & Abe and nanbu SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article ID FOKKER-PLANCK EQUATION; PLASMAS AB The interactions of charged particles in a plasma are governed by long-range Coulomb collision. We compare two widely used Monte Carlo models for Coulomb collisions. One was developed by Takizuka and Abe in 1977, the other was developed by Nanbu in 1997. We perform deterministic and statistical error analysis with respect to particle number and time step. The two models produce similar stochastic errors, but Nanbu's model gives smaller time step errors. Error comparisons between these two methods are presented. Published by Elsevier Inc. C1 [Wang, Chiaming; Lin, Tungyou; Caflisch, Russel] Univ Calif Los Angeles, Dept Math, Los Angeles, CA 90036 USA. [Cohen, Bruce I.; Dimits, Andris M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Wang, CM (reprint author), Univ Calif Los Angeles, Dept Math, Los Angeles, CA 90036 USA. EM cmwang@ucla.edu NR 10 TC 26 Z9 30 U1 1 U2 4 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 APR 20 PY 2008 VL 227 IS 9 BP 4308 EP 4329 DI 10.1016/j.jcp.2007.12.027 PG 22 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 294RQ UT WOS:000255423600002 ER PT J AU Loureiro, NF Hammett, GW AF Loureiro, N. F. Hammett, G. W. TI An iterative semi-implicit scheme with robust damping SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE semi-implicit methods; robust damping; magnetic reconnection; gyrofluid; dispersive plasma waves; symplectic methods ID IMPLICIT EXPLICIT METHODS; HIGH-TEMPERATURE PLASMAS; NEWTON-KRYLOV METHODS; MAGNETIC RECONNECTION; MAGNETOHYDRODYNAMIC COMPUTATIONS; DIFFERENCE-SCHEMES; INTEGRATION; SIMULATION; TOKAMAKS; SYSTEMS AB An efficient, iterative semi-implicit (SI) numerical method for the time integration of stiff wave systems is presented. Physics-based assumptions are used to derive a convergent iterative formulation of the SI scheme which enables the monitoring and control of the error introduced by the SI operator. This iteration essentially turns a semi-implicit method into a fully implicit method. Accuracy, rather than stability, determines the timestep. The scheme is second order accurate and shown to be equivalent to a simple preconditioning method. We show how the diffusion operators can be handled so as to yield the property of robust damping, i.e. dissipating the solution at all values of the parameter D Delta t, where D is a diffusion operator and At the timestep. The overall scheme remains second order accurate even if the advection and diffusion operators do not commute. In the limit of no physical dissipation, and for a linear test wave problem, the method is shown to be symplectic. The method is tested on the problem of Kinetic Alfven wave mediated magnetic reconnection. A Fourier (pseudo-spectral) representation is used. A two-field gyrofluid model is used and an efficacious k-space SI operator for this problem is demonstrated. CPU speed-up factors over a CFL-limited explicit algorithm ranging from similar to 20 to several hundreds are obtained, while accurately capturing the results of an explicit integration. Possible extension of these results to a real-space (grid) discretization is discussed. (C) 2008 Elsevier Inc. All rights reserved. C1 [Loureiro, N. F.] Univ Maryland, CMPD, College Pk, MD 20742 USA. [Loureiro, N. F.; Hammett, G. W.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Loureiro, NF (reprint author), UKAEA Euratom Fus Assoc, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. EM nuno.loureiro@ukaea.org.uk; hammett@pppl.gov RI Hammett, Gregory/D-1365-2011; Loureiro, Nuno/E-8719-2011 OI Hammett, Gregory/0000-0003-1495-6647; Loureiro, Nuno/0000-0001-9755-6563 NR 55 TC 17 Z9 17 U1 0 U2 0 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 EI 1090-2716 J9 J COMPUT PHYS JI J. Comput. Phys. PD APR 20 PY 2008 VL 227 IS 9 BP 4518 EP 4542 DI 10.1016/j.jcp.2008.01.015 PG 25 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 294RQ UT WOS:000255423600013 ER PT J AU Lewicki, JL Fischer, ML Hilley, GE AF Lewicki, J. L. Fischer, M. L. Hilley, G. E. TI Six-week time series of eddy covariance CO(2) flux at Mammoth Mountain, California: Performance evaluation and role of meteorological forcing SO JOURNAL OF VOLCANOLOGY AND GEOTHERMAL RESEARCH LA English DT Article DE CO(2) emissions; volcano monitoring; eddy covariance; chamber method; Mammoth Mountain ID CARBON-DIOXIDE; MAGMATIC CO2; TREE-KILL; SOLFATARA VOLCANO; HORSESHOE LAKE; WATER-VAPOR; AIR-FLOWS; SOIL; EMISSIONS; ATMOSPHERE AB CO(2) and heat fluxes were measured over a six-week period (09/08/2006 to 10/24/2006) by the eddy covariance (EC) technique at the Horseshoe Lake tree kill (HLTK), Mammoth Mountain, CA, a site with complex terrain and high, spatially heterogeneous CO(2) emission rates. EC CO(2) fluxes ranged from 218 to 3500 g m(-2) d(-1) (mean= 1346 g m(-2) d(-1)). Using footprint modeling, EC CO(2) fluxes were compared to CO(2) fluxes measured by the chamber method on a grid repeatedly over a 10-day period. Half-hour EC CO(2) fluxes were moderately correlated (R(2) =0.42) with chamber fluxes, whereas average daily EC CO(2) fluxes were well correlated (R(2) = 0.70) with chamber measurements. Average daily EC CO(2) fluxes were correlated with both average daily wind speed and atmospheric pressure; relationships were similar to those observed between chamber CO(2) fluxes and the atmospheric parameters over a comparable time period. Energy balance closure was assessed by statistical regression of EC energy fluxes (sensible and latent heat) against available energy (net radiation, less soil heat flux). While incomplete (R(2) = 0.77 for 1:1 line), the degree of energy balance closure fell within the range observed in many investigations conducted in contrasting ecosystems and climates. Results indicate that despite complexities presented by the HLTK, EC can be reliably used to monitor background variations in volcanic CO(2) fluxes associated with meteorological forcing, and presumably changes related to deeply derived processes such as volcanic activity. (C) 2007 Elsevier B.V. All rights reserved. C1 [Lewicki, J. L.] Ernest Orlando Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Fischer, M. L.] Ernest Orlando Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Hilley, G. E.] Stanford Univ, Dept Geog & Environm Sci, Stanford, CA 94305 USA. RP Lewicki, JL (reprint author), Ernest Orlando Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM jllewicki@lbl.gov; mlfischer@lbl.gov; hilley@pangea.stanford.edu NR 43 TC 30 Z9 30 U1 1 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0377-0273 J9 J VOLCANOL GEOTH RES JI J. Volcanol. Geotherm. Res. PD APR 20 PY 2008 VL 171 IS 3-4 BP 178 EP 190 DI 10.1016/j.jvolgeores.2007.11.029 PG 13 WC Geosciences, Multidisciplinary SC Geology GA 300CI UT WOS:000255801500002 ER PT J AU Fowlkes, CC Luengo Hendriks, CL Keranen, SVE Weber, GH Rubel, O Huang, MY Chatoor, S DePace, AH Simirenko, L Henriquez, C Beaton, A Weiszmann, R Celniker, S Hamann, B Knowles, DW Biggin, MD Eisen, MB Malik, J AF Fowlkes, Charless C. Luengo Hendriks, Cris L. Keraenen, Soile V. E. Weber, Gunther H. Ruebel, Oliver Huang, Min-Yu Chatoor, Sohail DePace, Angela H. Simirenko, Lisa Henriquez, Clara Beaton, Amy Weiszmann, Richard Celniker, Susan Hamann, Bernd Knowles, David W. Biggin, Mark D. Eisen, Michael B. Malik, Jitendra TI A quantitative spatiotemporal atlas of gene expression in the Drosophila blastoderm SO CELL LA English DT Article ID TRANSCRIPTIONAL REGULATION; 3-DIMENSIONAL MORPHOLOGY; POSITIONAL INFORMATION; EGG SIZE; EMBRYOGENESIS; MELANOGASTER; PATTERNS; EMBRYO; SPECIFICATION; EVOLUTION AB To fully understand animal transcription networks, it is essential to accurately measure the spatial and temporal expression patterns of transcription factors and their targets. We describe a registration technique that takes image-based data from hundreds of Drosophila blastoderm embryos, each costained for a reference gene and one of a set of genes of interest, and builds a model VirtualEmbryo. This model captures in a common framework the average expression patterns for many genes in spite of significant variation in morphology and expression between individual embryos. We establish the method's accuracy by showing that relationships between a pair of genes' expression inferred from the model are nearly identical to those measured in embryos costained for the pair. We present a VirtualEmbryo containing data for 95 genes at six time cohorts. We show that known gene-regulatory interactions can be automatically recovered from this data set and predict hundreds of new interactions. C1 [Fowlkes, Charless C.; Luengo Hendriks, Cris L.; Keraenen, Soile V. E.; Weber, Gunther H.; Ruebel, Oliver; Huang, Min-Yu; Chatoor, Sohail; DePace, Angela H.; Simirenko, Lisa; Henriquez, Clara; Celniker, Susan; Hamann, Bernd; Knowles, David W.; Biggin, Mark D.; Eisen, Michael B.; Malik, Jitendra] Univ Calif Irvine, Berkeley Drosophila Transcript Network Project, Irvine, CA 92697 USA. [Fowlkes, Charless C.] Univ Calif Irvine, Dept Comp Sci, Irvine, CA 92697 USA. [Luengo Hendriks, Cris L.; Chatoor, Sohail; Celniker, Susan; Knowles, David W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. [Keraenen, Soile V. E.; DePace, Angela H.; Simirenko, Lisa; Henriquez, Clara; Beaton, Amy; Weiszmann, Richard; Biggin, Mark D.; Eisen, Michael B.] Univ Calif Berkeley, Lawrence Berkeley Lab, Genom Div, Berkeley, CA 94720 USA. [Weber, Gunther H.; Ruebel, Oliver; Huang, Min-Yu; Hamann, Bernd] Univ Calif Davis, Inst Data Anal & Visualizat IDAV, Davis, CA 95616 USA. [Ruebel, Oliver; Huang, Min-Yu; Chatoor, Sohail; Hamann, Bernd] Univ Calif Davis, Dept Comp Sci, Davis, CA 95616 USA. [Malik, Jitendra] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. RP Eisen, MB (reprint author), Univ Calif Irvine, Berkeley Drosophila Transcript Network Project, Irvine, CA 92697 USA. EM mbeisen@lbl.gov; malik@cs.berkeley.edu RI Luengo Hendriks, Cris L./B-1097-2008; OI Luengo Hendriks, Cris L./0000-0002-8279-1760; Eisen, Michael/0000-0002-7528-738X; Weber, Gunther/0000-0002-1794-1398 FU NHGRI NIH HHS [R01 HG002779, R01 HG002779-05, R01 HG002779-06]; NIGMS NIH HHS [GM704403, R01 GM070444] NR 35 TC 134 Z9 136 U1 0 U2 5 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0092-8674 EI 1097-4172 J9 CELL JI Cell PD APR 18 PY 2008 VL 133 IS 2 BP 364 EP 374 DI 10.1016/j.cell.2008.01.053 PG 11 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 289JY UT WOS:000255052000024 PM 18423206 ER PT J AU Teixeira, SCM Zaccai, G Ankner, J Bellissent-Funel, MC Bewley, R Blakeley, MP Callow, P Coates, L Dahint, R Dalgliesh, R Dencher, NA Forsyth, VT Fragneto, G Frick, B Gilles, R Gutberlet, T Haertlein, M Hauss, T Haussler, W Heller, WT Herwig, K Holderer, O Juranyi, F Kampmann, R Knott, R Krueger, S Langan, P Lechner, RE Lynn, G Majkrzak, C May, RP Meilleur, F Mo, Y Mortensen, K Myles, DAA Natali, F Neylon, C Niimura, N Ollivier, J Ostermann, A Peters, J Pieper, J Ruhm, A Schwahn, D Shibata, K Soper, AK Strassle, T Suzuki, J Tanaka, I Tehei, M Timmins, P Torikai, N Unruh, T Urban, V Vavrin, R Weiss, K AF Teixeira, S. C. M. Zaccai, G. Ankner, J. Bellissent-Funel, M. C. Bewley, R. Blakeley, M. P. Callow, P. Coates, L. Dahint, R. Dalgliesh, R. Dencher, N. A. Forsyth, V. T. Fragneto, G. Frick, B. Gilles, R. Gutberlet, T. Haertlein, M. Hauss, T. Haeussler, W. Heller, W. T. Herwig, K. Holderer, O. Juranyi, F. Kampmann, R. Knott, R. Krueger, S. Langan, P. Lechner, R. E. Lynn, G. Majkrzak, C. May, R. P. Meilleur, F. Mo, Y. Mortensen, K. Myles, D. A. A. Natali, F. Neylon, C. Niimura, N. Ollivier, J. Ostermann, A. Peters, J. Pieper, J. Ruehm, A. Schwahn, D. Shibata, K. Soper, A. K. Straessle, Th. Suzuki, J. Tanaka, I. Tehei, M. Timmins, P. Torikai, N. Unruh, T. Urban, V. Vavrin, R. Weiss, K. TI New sources and instrumentation for neutrons in biology SO CHEMICAL PHYSICS LA English DT Article; Proceedings Paper CT International Workshop on Neutron Scattering Highlights on Biological Sytems/4th General Infrastructure Initiative for Neutron Scattering and Muon Spectroscopy Meeting CY OCT 06-11, 2006 CL Taormina, ITALY DE neutron scattering; neutron crystallography; small angle neutron scattering; reflectometry; inelastic neutron scattering; quasi-elastic neutron scattering; proteins; membranes; macromolecular structure and dynamics ID SMALL-ANGLE NEUTRON; X-RAY-SCATTERING; ESCHERICHIA-COLI RIBOSOME; PROTEIN CRYSTALLOGRAPHY; FIBER DIFFRACTION; BACKSCATTERING SPECTROMETER; SPALLATION NEUTRONS; CONTRAST VARIATION; TROPONIN COMPLEX; WATER-MOLECULES AB Neutron radiation offers significant advantages for the study of biological molecular structure and dynamics. A broad and significant effort towards instrumental and methodological development to facilitate biology experiments at neutron sources worldwide is reviewed. (C) 2008 Elsevier B.V. All rights reserved. C1 [Teixeira, S. C. M.; Zaccai, G.; Blakeley, M. P.; Callow, P.; Forsyth, V. T.; Fragneto, G.; Frick, B.; Haertlein, M.; May, R. P.; Natali, F.; Ollivier, J.; Peters, J.; Tehei, M.; Timmins, P.] Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France. [Teixeira, S. C. M.; Callow, P.; Forsyth, V. T.] Keele Univ, Res Inst Environm Phys Sci & Appl Math, Keele, Staffs, England. [Heller, W. T.; Lynn, G.; Mo, Y.; Myles, D. A. A.; Urban, V.; Weiss, K.] Oak Ridge Natl Lab, Ctr Struct Mol Biol, Oak Ridge, TN USA. [Bellissent-Funel, M. C.] CEA Saclay, LLB, F-91191 Gif Sur Yvette, France. [Bewley, R.; Dalgliesh, R.; Neylon, C.; Soper, A. K.] Rutherford Appleton Lab, ISIS Facil Sci & Technol Facil Council, Didcot OX11 0QX, Oxon, England. [Ankner, J.; Coates, L.; Herwig, K.; Meilleur, F.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN USA. [Dahint, R.] Univ Heidelberg, Heidelberg, Germany. [Dencher, N. A.; Hauss, T.; Lechner, R. E.] Tech Univ Darmstadt, Dept Chem, D-64287 Darmstadt, Germany. [Torikai, N.] High Energy Accelerator Res Org, Neutron Sci Lab KENS, Tsukuba, Ibaraki, Japan. [Juranyi, F.; Straessle, Th.; Vavrin, R.] Swiss Fed Inst Technol, Neutron Scattering Lab, CH-5332 Villigen, Switzerland. [Juranyi, F.; Straessle, Th.] Paul Scherrer Inst, Neutron Scattering Lab, CH-5332 Villigen, Switzerland. [Gilles, R.; Haeussler, W.; Ostermann, A.; Unruh, T.] Tech Univ Munich, Forsch Neutronenquelle Heinz Maier Leibnitz FRM 2, D-8046 Garching, Germany. [Gutberlet, T.; Holderer, O.; Schwahn, D.] FRM 2, Julich Ctr Neutron Sci, Forsch Zentrum Julich, Garching, Germany. [Hauss, T.] Hahn Meitner Inst Berlin GmbH, D-14109 Berlin, Germany. [Kampmann, R.] GKSS Forschungszentrum Geesthacht GmbH, D-21502 Geesthacht, Germany. [Knott, R.] Australian Nucl Sci & Technol Org, Menai, NSW 2234, Australia. [Krueger, S.; Majkrzak, C.] Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Langan, P.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA. [Meilleur, F.] N Carolina State Univ, Dept Struct & Mol Biol, Raleigh, NC 27695 USA. [Mortensen, K.] Danish Polymer Ctr, DK-4000 Roskilde, Denmark. [Niimura, N.; Shibata, K.; Tanaka, I.] Ibaraki Univ, Ibaraki 3168511, Japan. [Pieper, J.] Tech Univ Berlin, D-10623 Berlin, Germany. [Ruehm, A.] MPI Fuer Metallforsch, ZWE FRM 2, N REX, D-85747 Munich, Germany. [Suzuki, J.] Japan Atom Energy Agcy, J PARC Ctr, Tokai, Ibaraki 3191195, Japan. RP Teixeira, SCM (reprint author), Inst Max Von Laue Paul Langevin, 6 Rue Jules Horowitz, F-38042 Grenoble, France. EM teixeira@ill.fr RI Teixeira, Susana/H-2205-2016; Blakeley, Matthew/G-7984-2015; Unruh, Tobias/C-8946-2013; Urban, Volker/N-5361-2015; Mortensen, Kell/A-5066-2009; Forsyth, V. Trevor/A-9129-2010; Frick, Bernhard/C-2756-2011; Langan, Paul/N-5237-2015; HauSS, Thomas/O-4667-2015; Herwig, Kenneth/F-4787-2011; Weiss, Kevin/I-4669-2013; myles, dean/D-5860-2016; Dencher, Norbert/G-6640-2014; Gutberlet, Thomas/D-5613-2014; Teixeira, Susana/H-2824-2013 OI Peters, Judith/0000-0001-5151-7710; Ostermann, Andreas/0000-0002-1477-5590; Tehei, Moeava/0000-0003-3654-6833; Teixeira, Susana/0000-0002-6603-7936; Blakeley, Matthew/0000-0002-6412-4358; Ankner, John/0000-0002-6737-5718; Coates, Leighton/0000-0003-2342-049X; Neylon, Cameron/0000-0002-0068-716X; Urban, Volker/0000-0002-7962-3408; Mortensen, Kell/0000-0002-8998-9390; Forsyth, V. Trevor/0000-0003-0380-3477; Langan, Paul/0000-0002-0247-3122; HauSS, Thomas/0000-0001-9325-6432; Weiss, Kevin/0000-0002-6486-8007; myles, dean/0000-0002-7693-4964; Gutberlet, Thomas/0000-0002-6194-2259; Teixeira, Susana/0000-0002-1967-0026 FU NIGMS NIH HHS [R01 GM071939-05] NR 99 TC 36 Z9 36 U1 1 U2 28 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0301-0104 J9 CHEM PHYS JI Chem. Phys. PD APR 18 PY 2008 VL 345 IS 2-3 BP 133 EP 151 DI 10.1016/j.chemphys.2008.02.030 PG 19 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 298RH UT WOS:000255704300002 PM 19132140 ER PT J AU Sokolov, AP Roh, JH Mamontov, E Sakai, VG AF Sokolov, A. P. Roh, J. H. Mamontov, E. Sakai, V. Garcia TI Role of hydration water in dynamics of biological macromolecules SO CHEMICAL PHYSICS LA English DT Article; Proceedings Paper CT International Workshop on Neutron Scattering Highlights on Biological Sytems/4th General Infrastructure Initiative for Neutron Scattering and Muon Spectroscopy Meeting CY OCT 06-11, 2006 CL Taormina, ITALY DE protein dynamics; RNA dynamics; neutron scattering; hydration water ID NEUTRON-SCATTERING; MOLECULAR-DYNAMICS; GLASS-TRANSITION; PROTEIN DYNAMICS; SOLID-STATE; RELAXATION; MYOGLOBIN; LYSOZYME; DNA AB We present an overview of neutron scattering studies of the dynamics in hydrated and dry protein and RNA. We demonstrate that the difference observed in the dynamics of dry lysozyme and dry RNA is related to the methyl group contributions to the protein dynamics. Hydration of biological macromolecules leads to significant activation of conformational transitions. They appear in neutron scattering spectra as an additional slow relaxation process that exhibits a strongly stretched spectral shape and slightly non-Arrhenius temperature dependence of the characteristic relaxation time. Our analysis suggests that the appearance of this relaxation process in the experimentally accessible frequency window is the main cause for the sharp rise of the atomic mean-squared displacements (the so-called dynamic transition) that takes place in hydrated biomolecules at T approximate to 200-220 K. (C) 2007 Elsevier B.V. All rights reserved. C1 [Sokolov, A. P.] Univ Akron, Dept Polymer Sci, Akron, OH 44325 USA. [Roh, J. H.] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. [Roh, J. H.] Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Mamontov, E.] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. [Sakai, V. Garcia] Rutherford Appleton Lab, Mol Spect Grp, ISIS Facil, Didcot OX11 0QX, Oxon, England. RP Sokolov, AP (reprint author), Univ Akron, Dept Polymer Sci, Akron, OH 44325 USA. EM alexei@uakron.edu RI Mamontov, Eugene/Q-1003-2015; OI Mamontov, Eugene/0000-0002-5684-2675; Garcia Sakai, Victoria/0000-0001-6570-4218 NR 28 TC 30 Z9 30 U1 0 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0301-0104 J9 CHEM PHYS JI Chem. Phys. PD APR 18 PY 2008 VL 345 IS 2-3 BP 212 EP 218 DI 10.1016/j.chemphys.2007.07.013 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 298RH UT WOS:000255704300012 ER PT J AU Siu, KKW Lee, JE Sufrin, JR Moffatt, BA McMillan, M Cornell, KA Isom, C Howell, PL AF Siu, Karen K. W. Lee, Jeffrey E. Sufrin, Janice R. Moffatt, Barbara A. McMillan, Martin Cornell, Kenneth A. Isom, Chelsea Howell, P. Lynne TI Molecular determinants of substrate specificity in plant 5'-methylthioadenosine nucleosidases SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE conformational flexibility; 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase; 5'-methylthioadenosine; S-adenosylhomocysteine; methionine recycling ID COLI 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE NUCLEOSIDASE; TRANSITION-STATE STRUCTURE; 5'-METHYLTHIOADENOSINE NUCLEOSIDASE; ESCHERICHIA-COLI; MACROMOLECULAR STRUCTURES; S-ADENOSYLMETHIONINE; ETHYLENE SYNTHESIS; XANTHINE-OXIDASE; PROTEIN; METHIONINE AB 5'-Methylthioadenosine (MTA)/S-adenosylhomocysteine (SAH) nucleosidase (MTAN) is essential for cellular metabolism and development in many bacterial species. While the enzyme is found in plants, plant MTANs appear to select for MTA preferentially, with little or no affinity for SAH. To understand what determines substrate specificity in this enzyme, MTAN homologues from Arabidopsis thaliana (AtMTAN1 and AtMTAN2, which are referred to as AtMTN1 and AtMTN2 in the plant literature) have been characterized kinetically. While both homologues hydrolyze MTA with comparable kinetic parameters, only AtMTAN2 shows activity towards SAH. AtMTAN2 also has higher catalytic activity towards other substrate analogues with longer 5-substituents. The structures of apo AtMTAN1 and its complexes with the substrate- and transition-state-analogues, 5-methylthiotubercidin and formycin A, respectively, have been determined at 2.0-1.8 angstrom resolution. A homology model of AtMTAN2 was generated using the AtMTAN1 structures. Comparison of the AtMTAN1 and AtMTAN2 structures reveals that only three residues in the active site differ between the two enzymes. Our analysis suggests that two of these residues, Leu181/Met168 and Phe148/Leu135 in AtMTAN1/AtMTAN2, likely account for the divergence in specificity of the enzymes. Comparison of the AtMTAN1 and available Escherichia coli MTAN (EcMTAN) structures suggests that a combination of differences in the 5'-alkylthio binding region and reduced conformational flexibility in the AtMTAN1 active site likely contribute to its reduced efficiency in binding substrate analogues with longer 5'-substituents. In addition, in contrast to EcMTAN, the active site of AtMTAN1 remains solvated in its ligand-bound forms. As the apparent pK(a) of an amino acid depends on its local environment, the putative catalytic acid Asp225 in AtMTAN1 may not be protonated at physiological pH and this suggests the transition state of AtMTAN1, like human MTA phosphorylase and Streptococcus pneumoniae MTAN, may be different from that found in EcMTAN. C1 [Siu, Karen K. W.; Lee, Jeffrey E.; Howell, P. Lynne] Hosp Sick Children, Res Inst, Program Mol Struct & Funct, Toronto, ON M5G 1X8, Canada. [Siu, Karen K. W.; Lee, Jeffrey E.; Howell, P. Lynne] Univ Toronto, Fac Med, Dept Biochem, Toronto, ON M5G 1A8, Canada. [Sufrin, Janice R.] Roswell Pk Canc Inst, Dept Pharmacol & Therapeut, Buffalo, NY 14263 USA. [Moffatt, Barbara A.] Univ Waterloo, Dept Biol, Waterloo, ON N2L 3G1, Canada. [McMillan, Martin] Brookhaven Natl Lab, Upton, NY 11973 USA. [Cornell, Kenneth A.; Isom, Chelsea] Boise State Univ, Dept Chem & Biochem, Boise, ID 83725 USA. RP Howell, PL (reprint author), Hosp Sick Children, Res Inst, Program Mol Struct & Funct, 555 Univ Ave, Toronto, ON M5G 1X8, Canada. EM howell@sickkids.ca FU Canadian Institutes of Health Research [43998, 46769]; NCRR NIH HHS [P20 RR016454, P20RR016454] NR 58 TC 11 Z9 14 U1 1 U2 7 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 APR 18 PY 2008 VL 378 IS 1 BP 112 EP 128 DI 10.1016/j.jmb.2008.01.088 PG 17 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 293XH UT WOS:000255368200010 PM 18342331 ER PT J AU Toroczkai, Z Kozma, B Bassler, KE Hengartner, NW Korniss, G AF Toroczkai, Zoltan Kozma, Balazs Bassler, Kevin E. Hengartner, N. W. Korniss, G. TI Gradient networks SO JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL LA English DT Article ID SCALE-FREE; COMPLEX NETWORKS; GRAPHS AB Gradient networks are defined (Toroczkai and Bassler 2004 Nature 428 716) as directed graphs formed by local gradients of a scalar field distributed on the nodes of a substrate network G. We present the derivation for some of the general properties of gradient graphs and give an exact expression for the in-degree distribution R( l) of the gradient network when the substrate is a binomial (Erdos-Renyi) random graph, G(N), p, and the scalars are independent identically distributed (i.i.d.) random variables. We show that in the limit N -> infinity, p -> 0, z = pN = const similar to 1, R( l). l- 1 for l < lc = z, i. e., gradient networks become scale- free graphs up to a cut- off degree. This paper presents the detailed derivation of the results announced in Toroczkai and Bassler ( 2004 Nature 428 716). C1 [Toroczkai, Zoltan] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Toroczkai, Zoltan] Univ Notre Dame, Ctr Complex Network Res, Notre Dame, IN 46556 USA. [Kozma, Balazs] Univ Paris 11, Phys Theor Lab, F-91405 Orsay, France. [Bassler, Kevin E.] Univ Houston, Dept Phys, Houston, TX 77204 USA. [Hengartner, N. W.] Los Alamos Natl Lab, Computat Comp & Stat Sci Div, Los Alamos, NM 87545 USA. [Korniss, G.] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. RP Toroczkai, Z (reprint author), Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. RI Korniss, Gyorgy/A-7360-2011; OI Hengartner, Nicolas/0000-0002-4157-134X NR 32 TC 20 Z9 20 U1 0 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1751-8113 EI 1751-8121 J9 J PHYS A-MATH THEOR JI J. Phys. A-Math. Theor. PD APR 18 PY 2008 VL 41 IS 15 AR 155103 DI 10.1088/1751-8113/41/15/155103 PG 13 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA 285LL UT WOS:000254778200004 ER PT J AU Aubert, B Bona, M Karyotakis, Y Lees, JP Poireau, V Prudent, X Tisserand, V Zghiche, A Tico, JG Grauges, E Lopez, L Palano, A Pappagallo, M Eigen, G Stugu, B Sun, L Abrams, GS Battaglia, M Brown, DN Button-Shafer, J Cahn, RN Jacobsen, RG Kadyk, JA Kerth, LT Kolomensky, YG Kukartsev, G Lynch, G Osipenkov, IL Ronan, MT Tackmann, K Tanabe, T Wenzel, WA Sanchez, PD Hawkes, CM Soni, N Watson, AT Koch, H Schroeder, T Walker, D Asgeirsson, DJ Cuhadar-Donszelmann, T Fulsom, BG Hearty, C Mattison, TS McKenna, JA Barrett, M Khan, A Saleem, M Teodorescu, L Blinov, VE Bukin, AD Buzykaev, AR Druzhinin, VP Golubev, VB Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Todyshev, KY Bondioli, M Curry, S Eschrich, I Kirkby, D Lankford, AJ Lund, P Mandelkern, M Martin, EC Stoker, DP Abachi, S Buchanan, C Gary, JW Liu, F Long, O Shen, BC Vitug, GM Yasin, Z Zhang, L Paar, HP Rahatlou, S Sharma, V Campagnari, C Hong, TM Kovalskyi, D Richman, JD Beck, TW Eisner, AM Flacco, CJ Heusch, CA Kroseberg, J Lockman, WS Schalk, T Schumm, BA Seiden, A Wilson, MG Winstrom, LO Chen, E Cheng, CH Doll, DA Echenard, B Fang, F Hitlin, DG Narsky, I Piatenko, T Porter, FC Andreassen, R Mancinelli, G Meadows, BT Mishra, K Sokoloff, MD Blanc, F Bloom, PC Ford, WT Hirschauer, JF Kreisel, A Nagel, M Nauenberg, U Olivas, A Smith, JG Ulmer, KA Wagner, SR Ayad, R Gabareen, AM Soffer, A Toki, WH Wilson, RJ Altenburg, DD Feltresi, E Hauke, A Jasper, H Karbach, M Merkel, J Petzold, A Spaan, B Wacker, K Klose, V Kobel, MJ Lacker, HM Mader, WF Nogowski, R Schubert, J Schubert, KR Schwierz, R Sundermann, JE Volk, A Bernard, D Bonneaud, GR Latour, E Thiebaux, C Verderi, M Clark, PJ Gradl, W Playfer, S Robertson, AI Watson, JE Andreotti, M Bettoni, D Bozzi, C Calabrese, R Cecchi, A Cibinetto, G Franchini, P Luppi, E Negrini, M Petrella, A Piemontese, L Prencipe, E Santoro, V Anulli, F Baldini-Ferroli, R Calcaterra, A de Sangro, R Finocchiaro, G Pacetti, S Patteri, P Peruzzi, IM Piccolo, M Rama, M Zallo, A Buzzo, A Contri, R Lo Vetere, M Macri, MM Monge, MR Passaggio, S Patrignani, C Robutti, E Santroni, A Tosi, S Chaisanguanthum, KS Morii, M Dubitzky, RS Marks, J Schenk, S Uwer, U Bard, DJ Dauncey, PD Nash, JA Vazquez, WP Tibbetts, M Behera, PK Chai, X Charles, MJ Mallik, U Cochran, J Crawley, HB Dong, L Eyges, V Meyer, WT Prell, S Rosenberg, EI Rubin, AE Gao, YY Gritsan, AV Guo, ZJ Lae, CK Denig, AG Fritsch, M Schott, G Arnaud, N Bequilleux, J D'Orazio, A Davier, M da Costa, JF Grosdidier, G Hocker, A Lepeltier, V Le Diberder, F Lutz, AM Pruvot, S Roudeau, P Schune, MH Serrano, J Sordini, V Stocchi, A Wang, WF Wormser, G Lange, DJ Wright, DM Bingham, I Burke, JP Chavez, CA Fry, JR Gabathuler, E Gamet, R Hutchcroft, DE Payne, DJ Touramanis, C Bevan, AJ George, KA Di Lodovico, F Sacco, R Sigamani, M Cowan, G 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Hollar, J. J. Kutter, P. E. Pan, Y. Pierini, M. Prepost, R. Vuosalo, C. O. Wu, S. L. TI Measurement of the branching fractions of exclusive (B)over-bar -> D-(*)(pi)l(-)(nu)over-bar(l) decays in events with a fully reconstructed b meson SO PHYSICAL REVIEW LETTERS LA English DT Article ID QUARK-MODEL AB We report a measurement of the branching fractions for (B) over bar -> D-(*)(pi)center dot(-)(nu) over bar (center dot) decays based on 341.1 fb(-1) of data collected at the Upsilon(4S) resonance with the BABAR detector at the SLAC PEP-II e(+)e(-) storage rings. Events are tagged by fully reconstructing one of the B mesons in a hadronic decay mode. We obtain B(B--> D-0 center dot(-)(nu) over bar (center dot))=(2.33 +/- 0.09(stat)+/- 0.09(syst))%, B(B--> D-*0 center dot(-)(nu) over bar (center dot))=(5.83 +/- 0.15(stat)+/- 0.30(syst))%, B((nu) over bar (0)-> D+center dot(-)(nu) over bar (center dot))=(2.21 +/- 0.11(stat)+/- 0.12(syst))%, B((nu) over bar (0)-> D*+center dot(-)(nu) over bar (center dot))=(5.49 +/- 0.16(stat)+/- 0.25(syst))%, B(B--> D+pi(-)center dot(-)(nu) over bar (center dot))=(0.42 +/- 0.06(stat)+/- 0.03(syst))%, B(B--> D*+pi(-)center dot(-)(nu) over bar (center dot))=(0.59 +/- 0.05(stat)+/- 0.04(syst))%, B((nu) over bar (0)-> D-0 pi(+)center dot(-)(nu) over bar (center dot))=(0.43 +/- 0.08(stat)+/- 0.03(syst))%, and B((nu) over bar (0)-> D-*0 pi(+)center dot(-)(nu) over bar (center dot))=(0.48 +/- 0.08(stat)+/- 0.04(syst))%. C1 [Aubert, B.; Bona, M.; Karyotakis, Y.; Lees, J. P.; Poireau, V.; Prudent, X.; Tisserand, V.; Zghiche, A.] CNRS, IN2P3, Phys Particules Lab, F-74941 Annecy Le Vieux, France. 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[Andreotti, M.; Bettoni, D.; Bozzi, C.; Calabrese, R.; Cecchi, A.; Cibinetto, G.; Franchini, P.; Luppi, E.; Negrini, M.; Petrella, A.; Piemontese, L.; Prencipe, E.; Santoro, V.] Ist Nazl Fis Nucl, I-44100 Ferrara, Italy. [Anulli, F.; Baldini-Ferroli, R.; Calcaterra, A.; de Sangro, R.; Finocchiaro, G.; Pacetti, S.; Patteri, P.; Peruzzi, I. M.; Piccolo, M.; Rama, M.; Zallo, A.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Buzzo, A.; Contri, R.; Lo Vetere, M.; Macri, M. M.; Monge, M. R.; Passaggio, S.; Patrignani, C.; Robutti, E.; Santroni, A.; Tosi, S.] Univ Genoa, Dipartimento Fis, I-16146 Genoa, Italy. [Buzzo, A.; Contri, R.; Lo Vetere, M.; Macri, M. M.; Monge, M. R.; Passaggio, S.; Patrignani, C.; Robutti, E.; Santroni, A.; Tosi, S.] Ist Nazl Fis Nucl, I-16146 Genoa, Italy. [Chaisanguanthum, K. S.; Morii, M.] Harvard Univ, Cambridge, MA 02138 USA. [Dubitzky, R. S.; Marks, J.; Schenk, S.; Uwer, U.] Heidelberg Univ, Inst Phys, D-69120 Heidelberg, Germany. [Bard, D. J.; Dauncey, P. D.; Nash, J. A.; Vazquez, W. Panduro; Tibbetts, M.] Univ London Imperial Coll Sci Technol & Med, London SW7 2AZ, England. [Behera, P. K.; Chai, X.; Charles, M. J.; Mallik, U.] Univ Iowa, Iowa City, IA 52242 USA. [Cochran, J.; Crawley, H. B.; Dong, L.; Eyges, V.; Meyer, W. T.; Prell, S.; Rosenberg, E. I.; Rubin, A. E.] Iowa State Univ, Ames, IA 50011 USA. [Gao, Y. Y.; Gritsan, A. V.; Guo, Z. J.; Lae, C. K.] Johns Hopkins Univ, Baltimore, MD 21218 USA. [Denig, A. G.; Fritsch, M.; Schott, G.] Univ Karlsruhe, Inst Expt Kernphys, D-76021 Karlsruhe, Germany. [Arnaud, N.; Bequilleux, J.; D'Orazio, A.; Davier, M.; da Costa, J. Firmino; Grosdidier, G.; Hoecker, A.; Lepeltier, V.; Le Diberder, F.; Lutz, A. M.; Pruvot, S.; Roudeau, P.; Schune, M. H.; Serrano, J.; Sordini, V.; Stocchi, A.; Wang, W. F.; Wormser, G.] CNRS, IN2P3, Lab Accelerateur Lineaire, F-91898 Orsay, France. [Arnaud, N.; Bequilleux, J.; D'Orazio, A.; Davier, M.; da Costa, J. 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I.] Univ Manchester, Manchester M13 9PL, Lancs, England. [Anderson, J.; Chen, C.; Jawahery, A.; Roberts, D. A.; Simi, G.; Tuggle, J. M.] Univ Maryland, College Pk, MD 20742 USA. [Dallapiccola, C.; Hertzbach, S. S.; Li, X.; Salvati, E.; Saremi, S.] Univ Massachusetts, Amherst, MA 01003 USA. [Cowan, R.; Dujmic, D.; Fisher, P. H.; Koeneke, K.; Sciolla, G.; Spitznagel, M.; Taylor, F.; Yamamoto, R. K.; Zhao, M.] MIT, Nucl Sci Lab, Cambridge, MA 02139 USA. [Mclachlin, S. E.; Patel, P. M.; Robertson, S. H.] McGill Univ, Montreal, PQ H3A 2T8, Canada. [Lazzaro, A.; Lombardo, V.; Palombo, F.] Univ Milan, Dipartimento Fis, I-20133 Milan, Italy. [Lazzaro, A.; Lombardo, V.; Palombo, F.] Ist Nazl Fis Nucl, I-20133 Milan, Italy. [Bauer, J. M.; Cremaldi, L.; Eschenburg, V.; Godang, R.; Kroeger, R.; Sanders, D. A.; Summers, D. J.; Zhao, H. W.] Univ Mississippi, University, MS 38677 USA. [Brunet, S.; Cote, D.; Simard, M.; Taras, P.; Viaud, F. B.] Univ Montreal, Montreal, PQ H3C 3J7, Canada. [Nicholson, H.] Mt Holyoke Coll, S Hadley, MA 01075 USA. [De Nardo, G.; Lista, L.; Monorchio, D.; Sciacca, C.] Univ Naples Federico II, Dipartimento Sci Fis, I-80126 Naples, Italy. [De Nardo, G.; Lista, L.; Monorchio, D.; Sciacca, C.] Ist Nazl Fis Nucl, I-80126 Naples, Italy. [Baak, M. A.; Raven, G.; Snoek, H. L.] Natl Inst Nucl & High Energy Phys, NIKHEF, NL-1009 DB Amsterdam, Netherlands. [Jessop, C. P.; Knoepfel, K. J.; LoSecco, J. M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Benelli, G.; Corwin, L. A.; Honscheid, K.; Kagan, H.; Kass, R.; Morris, J. P.; Rahimi, A. M.; Regensburger, J. J.; Sekula, S. J.; Wong, Q. K.] Ohio State Univ, Columbus, OH 43210 USA. [Blount, N. L.; Brau, J.; Frey, R.; Igonkina, O.; Kolb, J. A.; Lu, M.; Rahmat, R.; Sinev, N. B.; Strom, D.; Strube, J.; Torrence, E.] Univ Oregon, Eugene, OR 97403 USA. [Castelli, G.; Gagliardi, N.; Gaz, A.; Margoni, M.; Morandin, M.; Posocco, M.; Rotondo, M.; Simonetto, F.; Stroili, R.; Voci, C.] Univ Padua, Dipartimento Fis, I-35131 Padua, Italy. [Castelli, G.; Gagliardi, N.; Gaz, A.; Margoni, M.; Morandin, M.; Posocco, M.; Rotondo, M.; Simonetto, F.; Stroili, R.; Voci, C.] Ist Nazl Fis Nucl, I-35131 Padua, Italy. [Ben-Haim, E.; Briand, H.; Calderini, G.; Chauveau, J.; David, P.; Del Buono, L.; Hamon, O.; Leruste, Ph.; Malcles, J.; Ocariz, J.; Perez, A.; Prendki, J.] Univ Paris 06, Univ Denis Diderot Paris 7, CNRS, IN2P3,Lab Phys Nucl & Hautes Energies, F-75252 Paris, France. [Gladney, L.] Univ Penn, Philadelphia, PA 19104 USA. [Peruzzi, I. M.; Biasini, M.; Covarelli, R.; Manoni, E.] Univ Perugia, Dipartimento Fis, I-06100 Perugia, Italy. [Biasini, M.; Covarelli, R.; Manoni, E.] Ist Nazl Fis Nucl, I-06100 Perugia, Italy. [Angelini, C.; Batignani, G.; Bettarini, S.; Carpinelli, M.; Cervelli, A.; Forti, F.; Giorgi, M. 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A.; Morganti, S.; Piredda, G.; Polci, F.; Renga, F.; Voena, C.] Ist Nazl Fis Nucl, I-00185 Rome, Italy. [Schroeder, T.; Ebert, M.; Hartmann, T.; Waldi, R.] Univ Rostock, D-18051 Rostock, Germany. [Adye, T.; Franek, B.; Olaiya, E. O.; Roethel, W.; Wilson, F. F.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Emery, S.; Escalier, M.; Gaidot, A.; Ganzhur, S. F.; de Monchenault, G. Hamel; Kozanecki, W.; Vasseur, G.; Yeche, Ch.; Zito, M.] CEA Saclay, DSM Dapnia, F-91191 Gif Sur Yvette, France. [Chen, X. R.; Liu, H.; Park, W.; Purohit, M. V.; White, R. M.; Wilson, J. R.] Univ S Carolina, Columbia, SC 29208 USA. [Allen, M. T.; Aston, D.; Bartoldus, R.; Bechtle, P.; Benitez, J. F.; Cenci, R.; Coleman, J. P.; Convery, M. R.; Dingfelder, J. C.; Dorfan, J.; Dubois-Felsmann, G. P.; Dunwoodie, W.; Field, R. C.; Glanzman, T.; Gowdy, S. J.; Graham, M. T.; Grenier, P.; Hast, C.; Innes, W. R.; Kaminski, J.; Kelsey, M. H.; Kim, H.; Kim, P.; Kocian, M. L.; Leith, D. W. G. S.; Li, S.; Lindquist, B.; Luitz, S.; Luth, V.; Lynch, H. L.; MacFarlane, D. B.; Marsiske, H.; Messner, R.; Muller, D. R.; Neal, H.; Nelson, S.; O'Grady, C. P.; Ofte, I.; Perazzo, A.; Perl, M.; Ratcliff, B. N.; Roodman, A.; Salnikov, A. A.; Schindler, R. H.; Schwiening, J.; Snyder, A.; Su, D.; Sullivan, M. K.; Suzuki, K.; Swain, S. K.; Thompson, J. M.; Va'vra, J.; Wagner, A. P.; Weaver, M.; Wisniewski, W. J.; Wittgen, M.; Wright, D. H.; Wulsin, H. W.; Yarritu, A. K.; Yi, K.; Young, C. C.; Ziegler, V.] Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. [Burchat, P. R.; Edwards, A. J.; Majewski, S. A.; Miyashita, T. S.; Petersen, B. A.; Wilden, L.] Stanford Univ, Stanford, CA 94305 USA. [Ahmed, S.; Alam, M. S.; Bula, R.; Ernst, J. A.; Pan, B.; Saeed, M. A.; Zain, S. B.] SUNY Albany, Albany, NY 12222 USA. [Wogsland, B. J.] Univ Tennessee, Knoxville, TN 37996 USA. [Eckmann, R.; Ritchie, J. L.; Ruland, A. M.; Schilling, C. J.; Schwitters, R. F.] Univ Texas Austin, Austin, TX 78712 USA. [Izen, J. M.; Lou, X. C.; Ye, S.] Univ Texas Dallas, Richardson, TX 75083 USA. [Bianchi, F.; Gamba, D.; Pelliccioni, M.] Univ Turin, Dipartimento Fis, I-10125 Turin, Italy. [Bianchi, F.; Gamba, D.; Pelliccioni, M.] Ist Nazl Fis Nucl, I-10125 Turin, Italy. [Bomben, M.; Bosisio, L.; Cartaro, C.; Cossutti, F.; Della Ricca, G.; Lanceri, L.; Vitale, L.] Univ Trieste, Dipartmento Fis, I-34127 Trieste, Italy. [Bomben, M.; Bosisio, L.; Cartaro, C.; Cossutti, F.; Della Ricca, G.; Lanceri, L.; Vitale, L.] Ist Nazl Fis Nucl, I-34127 Trieste, Italy. [Azzolini, V.; Lopez-March, N.; Martinez-Vidal, F.; Milanes, D. A.; Oyanguren, A.] Univ Valencia, CSIC, IFIC, E-46071 Valencia, Spain. [Albert, J.; Banerjee, Sw.; Bhuyan, B.; Hamano, K.; Kowalewski, R.; Nugent, I. M.; Roney, J. M.; Sobie, R. J.] Univ Victoria, Victoria, BC V8W 3P6, Canada. [Gershon, T. J.; Harrison, P. F.; Ilic, J.; Latham, T. E.; Mohanty, G. B.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. [Pan, B.; Band, H. R.; Chen, X.; Dasu, S.; Flood, K. T.; Hollar, J. J.; Kutter, P. E.; Pierini, M.; Prepost, R.; Vuosalo, C. O.; Wu, S. L.] Univ Wisconsin, Madison, WI 53706 USA. [Carpinelli, M.] Univ Sassari, I-07100 Sassari, Italy. RP Aubert, B (reprint author), CNRS, IN2P3, Phys Particules Lab, F-74941 Annecy Le Vieux, France. RI Calabrese, Roberto/G-4405-2015; Martinez Vidal, F*/L-7563-2014; Kolomensky, Yury/I-3510-2015; Lo Vetere, Maurizio/J-5049-2012; Lusiani, Alberto/N-2976-2015; Morandin, Mauro/A-3308-2016; Lusiani, Alberto/A-3329-2016; Della Ricca, Giuseppe/B-6826-2013; Di Lodovico, Francesca/L-9109-2016; Pappagallo, Marco/R-3305-2016; Calcaterra, Alessandro/P-5260-2015; Frey, Raymond/E-2830-2016; Patrignani, Claudia/C-5223-2009; White, Ryan/E-2979-2015; Lista, Luca/C-5719-2008; Neri, Nicola/G-3991-2012; Forti, Francesco/H-3035-2011; Rotondo, Marcello/I-6043-2012; de Sangro, Riccardo/J-2901-2012; Saeed, Mohammad Alam/J-7455-2012; Negrini, Matteo/C-8906-2014; Monge, Maria Roberta/G-9127-2012; Oyanguren, Arantza/K-6454-2014; Luppi, Eleonora/A-4902-2015 OI Calabrese, Roberto/0000-0002-1354-5400; Martinez Vidal, F*/0000-0001-6841-6035; Kolomensky, Yury/0000-0001-8496-9975; Lo Vetere, Maurizio/0000-0002-6520-4480; Lusiani, Alberto/0000-0002-6876-3288; Morandin, Mauro/0000-0003-4708-4240; Lusiani, Alberto/0000-0002-6876-3288; Della Ricca, Giuseppe/0000-0003-2831-6982; Di Lodovico, Francesca/0000-0003-3952-2175; Pappagallo, Marco/0000-0001-7601-5602; Calcaterra, Alessandro/0000-0003-2670-4826; Frey, Raymond/0000-0003-0341-2636; Patrignani, Claudia/0000-0002-5882-1747; White, Ryan/0000-0003-3589-5900; Neri, Nicola/0000-0002-6106-3756; Forti, Francesco/0000-0001-6535-7965; Rotondo, Marcello/0000-0001-5704-6163; de Sangro, Riccardo/0000-0002-3808-5455; Saeed, Mohammad Alam/0000-0002-3529-9255; Negrini, Matteo/0000-0003-0101-6963; Monge, Maria Roberta/0000-0003-1633-3195; Oyanguren, Arantza/0000-0002-8240-7300; Luppi, Eleonora/0000-0002-1072-5633 NR 21 TC 17 Z9 17 U1 1 U2 9 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 APR 18 PY 2008 VL 100 IS 15 AR 151802 DI 10.1103/PhysRevLett.100.151802 PG 8 WC Physics, Multidisciplinary SC Physics GA 290IZ UT WOS:000255117800011 ER PT J AU Carlson, J Reddy, S AF Carlson, J. Reddy, Sanjay TI Superfluid pairing gap in strong coupling SO PHYSICAL REVIEW LETTERS LA English DT Article ID FERMI GAS AB The zero-temperature pairing gap is a fundamental property of interacting Fermions, providing a crucial test of many-body theories in strong coupling. We analyze recent cold-atom experiments on imbalanced Fermi systems using Quantum Monte Carlo results for the superfluid and normal phases. Through this analysis we extract, for the first time, the experimental zero-temperature pairing gap in the fully paired superfluid state at unitarity where the two-body scattering length is infinite. We find that the zero-temperature pairing gap is greater than 0.4 times the Fermi energy E(F), with a preferred value of (0.45 +/- 0.05) E(F). The ratio of the pairing gap to the Fermi Energy is larger here than in any other Fermi system measured to date. C1 [Carlson, J.; Reddy, Sanjay] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Carlson, J (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. OI Carlson, Joseph/0000-0002-3163-5565 NR 18 TC 51 Z9 51 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 18 PY 2008 VL 100 IS 15 AR 150403 DI 10.1103/PhysRevLett.100.150403 PG 4 WC Physics, Multidisciplinary SC Physics GA 290IZ UT WOS:000255117800003 PM 18518087 ER PT J AU Johnson, I Jefimovs, K Bunk, O David, C Dierolf, M Gray, J Renker, D Pfeiffer, F AF Johnson, I. Jefimovs, K. Bunk, O. David, C. Dierolf, M. Gray, J. Renker, D. Pfeiffer, F. TI Coherent diffractive imaging using phase front modifications SO PHYSICAL REVIEW LETTERS LA English DT Article ID X-RAY-DIFFRACTION; RETRIEVAL AB We introduce a coherent diffractive imaging technique that utilizes multiple exposures with modifications to the phase profile of the transmitted wave front to compensate for the missing phase information. This is a single spot technique sensitive to both the transmission and phase shift through the sample. Along with the details of the method, we present results from the first proof of principle experiment. The experiment was performed with 6.0 keV x rays, in which an estimated spatial resolution of 200 nm was achieved. C1 [Johnson, I.; Jefimovs, K.; Bunk, O.; David, C.; Dierolf, M.; Renker, D.; Pfeiffer, F.] Paul Scherrer Inst, CH-5232 Villigen, Switzerland. [Gray, J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Pfeiffer, F.] Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. RP Johnson, I (reprint author), Paul Scherrer Inst, CH-5232 Villigen, Switzerland. RI Dierolf, Martin/B-9816-2008; Johnson, Ian/I-2439-2013; Jefimovs, Konstantins/K-1268-2014; Bunk, Oliver/B-7602-2013 OI Bunk, Oliver/0000-0001-6563-4053 NR 19 TC 43 Z9 44 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 APR 18 PY 2008 VL 100 IS 15 AR 155503 DI 10.1103/PhysRevLett.100.155503 PG 4 WC Physics, Multidisciplinary SC Physics GA 290IZ UT WOS:000255117800038 PM 18518122 ER PT J AU Kalinin, SV Jesse, S Rodriguez, BJ Chu, YH Ramesh, R Eliseev, EA Morozovska, AN AF Kalinin, S. V. Jesse, S. Rodriguez, B. J. Chu, Y. H. Ramesh, R. Eliseev, E. A. Morozovska, A. N. TI Probing the role of single defects on the thermodynamics of electric-field induced phase transitions SO PHYSICAL REVIEW LETTERS LA English DT Article ID FERROELECTRIC MATERIALS; DYNAMICS; DOMAINS; FILMS AB The kinetics and thermodynamics of first order transitions are universally controlled by defects that act as nucleation sites and pinning centers. Here we demonstrate that defect-domain interactions during polarization reversal processes in ferroelectric materials result in a pronounced fine structure in electromechanical hysteresis loops. Spatially resolved imaging of a single defect center in multiferroic BiFeO(3) thin film is achieved, and the defect size and built-in field are determined self-consistently from the single-point spectroscopic measurements and spatially resolved images. This methodology is universal and can be applied to other reversible bias-induced transitions including electrochemical reactions. C1 [Kalinin, S. V.; Jesse, S.; Rodriguez, B. J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Chu, Y. H.; Ramesh, R.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Chu, Y. H.; Ramesh, R.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Eliseev, E. A.; Morozovska, A. N.] Natl Acad Sci Ukraine, Kiev, Ukraine. RP Kalinin, SV (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM sergei2@ornl.gov RI Ying-Hao, Chu/A-4204-2008; Kalinin, Sergei/I-9096-2012; Rodriguez, Brian/A-6253-2009; Jesse, Stephen/D-3975-2016 OI Ying-Hao, Chu/0000-0002-3435-9084; Kalinin, Sergei/0000-0001-5354-6152; Rodriguez, Brian/0000-0001-9419-2717; Jesse, Stephen/0000-0002-1168-8483 NR 24 TC 59 Z9 59 U1 1 U2 23 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 18 PY 2008 VL 100 IS 15 AR 155703 DI 10.1103/PhysRevLett.100.155703 PG 4 WC Physics, Multidisciplinary SC Physics GA 290IZ UT WOS:000255117800042 PM 18518126 ER PT J AU Ney, A Ollefs, K Ye, S Kammermeier, T Ney, V Kaspar, TC Chambers, SA Wilhelm, F Rogalev, A AF Ney, A. Ollefs, K. Ye, S. Kammermeier, T. Ney, V. Kaspar, T. C. Chambers, S. A. Wilhelm, F. Rogalev, A. TI Absence of intrinsic ferromagnetic interactions of isolated and paired co dopant atoms in Zn(1-x)Co(x)O with high structural perfection SO PHYSICAL REVIEW LETTERS LA English DT Article AB We report element specific structural and magnetic investigations on Zn(1-x)Co(x)O epitaxial films using synchrotron radiation. Co dopants exclusively occupy Zn sites as revealed by x-ray linear dichroism having an unprecedented degree of structural perfection. Comparative magnetic field dependent measurements by x-ray magnetic circular dichroism and conventional magnetometry consistently show purely paramagnetic behavior for isolated Co dopant atoms with a magnetic moment of 4.8 mu(B). However, the total magnetization is reduced by similar to 30%, demonstrating that Co-O-Co pairs are antiferromagnetically coupled. We find no sign of intrinsic ferromagnetic interactions for isolated or paired Co dopant atoms in CoZnO films. C1 [Ney, A.; Ollefs, K.; Ye, S.; Kammermeier, T.; Ney, V.] Univ Duisburg Gesamthsch, Fachbereich Phys, D-47057 Duisburg, Germany. Univ Duisburg Gesamthsch, Ctr Nonointegrat Duisburg Essen CeNIDE, D-47057 Duisburg, Germany. [Kaspar, T. C.; Chambers, S. A.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Wilhelm, F.; Rogalev, A.] European Synchrotron Radiat Facil, F-38043 Grenoble, France. RP Ney, A (reprint author), Univ Duisburg Gesamthsch, Fachbereich Phys, Lotharstr 1, D-47057 Duisburg, Germany. EM ney@maglomat.de RI Ollefs, Katharina/F-5677-2016; Ney, Verena/N-9480-2016; OI Ollefs, Katharina/0000-0002-2301-4670; Ney, Verena/0000-0001-9413-8649; Ney, Andreas/0000-0002-2388-6006 NR 14 TC 174 Z9 176 U1 0 U2 26 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 18 PY 2008 VL 100 IS 15 AR 157201 DI 10.1103/PhysRevLett.100.157201 PG 4 WC Physics, Multidisciplinary SC Physics GA 290IZ UT WOS:000255117800061 PM 18518145 ER PT J AU Solenov, D Mozyrsky, D AF Solenov, Dmitry Mozyrsky, Dmitry TI Kinetics of the phase separation transition in cold-atom boson-fermion mixtures SO PHYSICAL REVIEW LETTERS LA English DT Article ID METASTABLE STATES; QUANTUM; TEMPERATURES; CONDENSATE; DECAY; GAS AB We study the kinetics of the first order phase separation transition in boson-fermion cold-atom mixtures. At sufficiently low temperatures such a transition is driven by quantum fluctuations responsible for the formation of critical nuclei of a stable phase. Based on a microscopic description of interacting boson-fermion mixtures we derive an effective action for the critical droplet and obtain an asymptotic expression for the nucleation rate in the vicinity of the phase transition and near the spinodal instability of the mixed phase. We also discuss effects of dissipation which play a dominant role close to the transition point, and identify the regimes where quantum nucleation can be experimentally observed in cold-atom systems. C1 [Solenov, Dmitry] Clarkson Univ, Dept Phys, Potsdam, NY 13699 USA. [Mozyrsky, Dmitry] Los Alamos Natl Lab, Theoret Div T4, Los Alamos, NM 87545 USA. RP Solenov, D (reprint author), Clarkson Univ, Dept Phys, Potsdam, NY 13699 USA. EM solenov@clarkson.edu; mozyrsky@lanl.gov RI Solenov, Dmitry/H-6250-2012; OI Mozyrsky, Dima/0000-0001-5305-4617 NR 16 TC 4 Z9 4 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 18 PY 2008 VL 100 IS 15 AR 150402 DI 10.1103/PhysRevLett.100.150402 PG 4 WC Physics, Multidisciplinary SC Physics GA 290IZ UT WOS:000255117800002 PM 18518086 ER PT J AU Ticos, CM Wang, ZH Wurden, GA Kline, JL Montgomery, DS Dorf, LA Shukla, PK AF Ticos, C. M. Wang, Zhehui Wurden, G. A. Kline, J. L. Montgomery, D. S. Dorf, L. A. Shukla, P. K. TI Experimental demonstration of plasma-drag acceleration of a dust cloud to hypervelocities SO PHYSICAL REVIEW LETTERS LA English DT Article ID ION DRAG; CARBON DUST; PARTICLES; FORCE; TRANSPORT; DISCHARGE; DYNAMICS; CRYSTAL; FLOW AB Simultaneous acceleration of hundreds of dust particles to hypervelocities by collimated plasma flows ejected from a coaxial gun is demonstrated. Graphite and diamond grains with radii between 5 and 30 mu m, and flying at speeds up to 3.7 km/s, have been recorded with a high-speed camera. The observations agree well with a model for plasma-drag acceleration of microparticles much larger than the plasma screening length. C1 [Ticos, C. M.; Wang, Zhehui; Wurden, G. A.; Kline, J. L.; Montgomery, D. S.; Dorf, L. A.] Los Alamos Natl Lab, Plasma Phys Grp P24, Los Alamos, NM 87545 USA. [Shukla, P. K.] Ruhr Univ Bochum, Fak Phys & Astron, Inst Teoret Phys 4, D-44780 Bochum, Germany. RP Ticos, CM (reprint author), Los Alamos Natl Lab, Plasma Phys Grp P24, POB 1663, Los Alamos, NM 87545 USA. RI Shukla, Padma Kant/E-9077-2011; Ticos, Catalin/F-1677-2011; Wurden, Glen/A-1921-2017 OI Kline, John/0000-0002-2271-9919; Wurden, Glen/0000-0003-2991-1484 NR 32 TC 24 Z9 25 U1 1 U2 10 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 18 PY 2008 VL 100 IS 15 AR 155002 DI 10.1103/PhysRevLett.100.155002 PG 4 WC Physics, Multidisciplinary SC Physics GA 290IZ UT WOS:000255117800031 PM 18518115 ER PT J AU Wang, YJ Im, KS Fezzaa, K AF Wang, Yujie Im, Kyoung-Su Fezzaa, Kamel TI Similarity between the primary and secondary air-assisted liquid jet breakup mechanisms SO PHYSICAL REVIEW LETTERS LA English DT Article ID HARD X-RAYS; GAS-STREAM; DROP; DEFORMATION; DYNAMICS; SPRAY AB We report an ultrafast synchrotron x-ray phase-contrast imaging study of the primary breakup mechanism of a coaxial air-assisted water jet. There exist great similarities between the primary (jet) and the secondary (drop) breakup, and in the primary breakup on different length scales. A transition from a ligament- to a membrane-mediated breakup is identified around an effective Weber number We'similar to 13. This observation reveals the critical role an effective Weber number plays in determining the atomization process and strongly supports the cascade breakup model. C1 [Wang, Yujie; Im, Kyoung-Su; Fezzaa, Kamel] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Wang, YJ (reprint author), Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. RI wang, yujie/C-2582-2015 NR 19 TC 15 Z9 15 U1 4 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 18 PY 2008 VL 100 IS 15 AR 154502 DI 10.1103/PhysRevLett.100.154502 PG 4 WC Physics, Multidisciplinary SC Physics GA 290IZ UT WOS:000255117800029 PM 18518113 ER PT J AU Wiedeking, M Fallon, P Macchiavelli, AO Gibelin, J Basunia, MS Clark, RM Cromaz, M Deleplanque, MA Gros, S Jeppesen, HB Lake, PT Lee, IY Moretto, LG Pavan, J Phair, L Rodriguez-Vietiez, E Bernstein, LA Bleuel, DL Burke, JT Lesher, SR Lyles, BF Scielzo, ND AF Wiedeking, M. Fallon, P. Macchiavelli, A. O. Gibelin, J. Basunia, M. S. Clark, R. M. Cromaz, M. Deleplanque, M. -A. Gros, S. Jeppesen, H. B. Lake, P. T. Lee, I. -Y. Moretto, L. G. Pavan, J. Phair, L. Rodriguez-Vietiez, E. Bernstein, L. A. Bleuel, D. L. Burke, J. T. Lesher, S. R. Lyles, B. F. Scielzo, N. D. TI Lifetime measurement of the first excited 2(+) state in C-16 SO PHYSICAL REVIEW LETTERS LA English DT Article ID VALENCE NEUTRONS; MATRIX-ELEMENTS; SCATTERING; CLOVER; CORE AB The lifetime of the 2(1)(+) state in C-16 has been measured with the recoil distance method using the Be-9(Be-9,2p) fusion-evaporation reaction at a beam energy of 40 MeV. The mean lifetime was measured to be 11.7(20) ps corresponding to a B(E2; 2(1)(+)-> 0(+)) value of 4.15(73)e(2) fm(4) [1.73(30) W.u.], consistent with other even-even closed shell nuclei. Our result does not support an interpretation for "decoupled" valence neutrons. C1 [Wiedeking, M.; Fallon, P.; Macchiavelli, A. O.; Gibelin, J.; Basunia, M. S.; Clark, R. M.; Cromaz, M.; Deleplanque, M. -A.; Gros, S.; Jeppesen, H. B.; Lake, P. T.; Lee, I. -Y.; Moretto, L. G.; Pavan, J.; Phair, L.; Rodriguez-Vietiez, E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Bernstein, L. A.; Bleuel, D. L.; Burke, J. T.; Lesher, S. R.; Lyles, B. F.; Scielzo, N. D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Wiedeking, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RI Burke, Jason/I-4580-2012 NR 27 TC 52 Z9 52 U1 0 U2 0 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 APR 18 PY 2008 VL 100 IS 15 AR 152501 DI 10.1103/PhysRevLett.100.152501 PG 4 WC Physics, Multidisciplinary SC Physics GA 290IZ UT WOS:000255117800015 PM 18518099 ER PT J AU Zheludev, A Garlea, VO Regnault, LP Manaka, H Tsvelik, A Chung, JH AF Zheludev, A. Garlea, V. O. Regnault, L. -P. Manaka, H. Tsvelik, A. Chung, J. -H. TI Extended universal finite-T renormalization of excitations in a class of one-dimensional quantum magnets SO PHYSICAL REVIEW LETTERS LA English DT Article ID NONLINEAR-SIGMA-MODEL; SPIN DYNAMICS; HALDANE-GAP; HEISENBERG ANTIFERROMAGNETS; NEUTRON-SCATTERING; CHAIN; CSNICL3; LADDERS; STATE AB Temperature dependencies of gap energies and magnon lifetimes are measured in the quasi-one-dimensional S=1/2 gapped quantum magnets (CH(3))(2)CHNH(3)CuCL(3) (IPA-CuCl(3), where IPA denotes isopropyl ammonium) and Cu(2)Cl(4)center dot D(8)C(4)SO(2) (Sul-Cu(2)Cl(4)) using inelastic neutron scattering. The results are compared to those found in literature for S=1 Haldane spin chain materials and to theoretical calculations for the O(3)- and O(N)- quantum nonlinear sigma-models. It is found that when the T=0 energy gap Delta is used as the temperature scale, all experimental and theoretical curves are identical to within system-dependent but temperature-independent scaling factors of the order of unity. This quasi-universality extends over a surprising broad T range, at least up to kappa T similar to 1.5 Delta. C1 [Zheludev, A.; Garlea, V. O.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. [Regnault, L. -P.] CEA, DRFMC SPSMS MDN, F-38054 Grenoble 9, France. [Manaka, H.] Kagoshima Univ, Grad Sch Sci & Engn, Kagoshima 8900065, Japan. [Tsvelik, A.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Chung, J. -H.] Natl Inst Stand & Technol, NCNR, Gaithersburg, MD 20899 USA. Univ Maryland, College Pk, MD 20742 USA. RP Zheludev, A (reprint author), Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. EM zheludevai@ornl.gov RI Garlea, Vasile/A-4994-2016 OI Garlea, Vasile/0000-0002-5322-7271 NR 30 TC 27 Z9 27 U1 0 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 APR 18 PY 2008 VL 100 IS 15 AR 157204 DI 10.1103/PhysRevLett.100.157204 PG 4 WC Physics, Multidisciplinary SC Physics GA 290IZ UT WOS:000255117800064 PM 18518148 ER PT J AU Zhu, X Xu, N Zhuang, P AF Zhu, X. Xu, N. Zhuang, P. TI Effect of partonic "Wind" on charm quark correlations in high-energy nuclear collisions SO PHYSICAL REVIEW LETTERS LA English DT Article ID HEAVY-ION COLLISIONS; GLUON PLASMA; ELLIPTIC FLOW; COLLIDER ENERGIES; PHASE-TRANSITION; SIGNATURE; TRANSPORT; QCD; SPS AB In high-energy collisions, massive heavy quarks are produced back to back initially and they are sensitive to early dynamical conditions. The strong collective partonic wind from the fast expanding quark-gluon plasma created in high-energy nuclear collisions modifies the correlation pattern significantly. While the hot and dense medium in collisions at the BNL Relativistic Heavy Ion Collider (root s(NN)=200 GeV) can only smear the initial back-to-back D (D) over bar correlation, a clear and strong near side D (D) over bar correlation is expected at the CERN Large Hadron Collider (root s(NN)=5500 GeV). This is considered as a signature for the strongly coupled quark-gluon plasma. C1 [Zhu, X.; Zhuang, P.] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China. [Xu, N.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Zhu, X (reprint author), Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China. NR 40 TC 21 Z9 24 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 18 PY 2008 VL 100 IS 15 AR 152301 DI 10.1103/PhysRevLett.100.152301 PG 4 WC Physics, Multidisciplinary SC Physics GA 290IZ UT WOS:000255117800014 PM 18518098 ER PT J AU Russell, CA Jones, TC Barr, IG Cox, NJ Garten, RJ Gregory, V Gust, ID Hampson, AW Hay, AJ Hurt, AC de Jong, JC Kelso, A Klimov, AI Kageyama, T Komadina, N Lapedes, AS Lin, YP Mosterin, A Obuchi, M Odagiri, T Osterhaus, ADME Rimmelzwaan, GF Shaw, MW Skepner, E Stohr, K Tashiro, M Fouchier, RAM Smith, DJ AF Russell, Colin A. Jones, Terry C. Barr, Ian G. Cox, Nancy J. Garten, Rebecca J. Gregory, Vicky Gust, Ian D. Hampson, Alan W. Hay, Alan J. Hurt, Aeron C. de Jong, Jan C. Kelso, Anne Klimov, Alexander I. Kageyama, Tsutomu Komadina, Naomi Lapedes, Alan S. Lin, Yi P. Mosterin, Ana Obuchi, Masatsugu Odagiri, Takato Osterhaus, Albert D. M. E. Rimmelzwaan, Guus F. Shaw, Michael W. Skepner, Eugene Stohr, Klaus Tashiro, Masato Fouchier, Ron A. M. Smith, Derek J. TI The global circulation of seasonal influenza A (H3N2) viruses SO SCIENCE LA English DT Article ID SURVEILLANCE; EPIDEMICS; EVOLUTION; REASSORTMENT; HIERARCHIES; INFECTIONS; REVEALS; BRAZIL AB Antigenic and genetic analysis of the hemagglutinin of similar to 13,000 human influenza A ( H3N2) viruses from six continents during 2002- 2007 revealed that there was continuous circulation in east and Southeast Asia ( E- SE Asia) via a region- wide network of temporally overlapping epidemics and that epidemics in the temperate regions were seeded from this network each year. Seed strains generally first reached Oceania, North America, and Europe, and later South America. This evidence suggests that once A ( H3N2) viruses leave E- SE Asia, they are unlikely to contribute to long- term viral evolution. If the trends observed during this period are an accurate representation of overall patterns of spread, then the antigenic characteristics of A ( H3N2) viruses outside E- SE Asia may be forecast each year based on surveillance within E- SE Asia, with consequent improvements to vaccine strain selection. C1 [Russell, Colin A.; Jones, Terry C.; Mosterin, Ana; Skepner, Eugene; Smith, Derek J.] Univ Cambridge, Dept Zool, Cambridge, England. [Jones, Terry C.; Osterhaus, Albert D. M. E.; Rimmelzwaan, Guus F.; Fouchier, Ron A. M.; Smith, Derek J.] Erasmus MC, Dept Virol, Rotterdam, Netherlands. [Jones, Terry C.] Univ Pompeu Fabra, Barcelona, Spain. [Barr, Ian G.; Gust, Ian D.; Hampson, Alan W.; Hurt, Aeron C.; Kelso, Anne; Komadina, Naomi] WHO, Collaborating Ctr Reference & Res Influenza, Melbourne, Vic, Australia. [Cox, Nancy J.; Garten, Rebecca J.; Klimov, Alexander I.; Shaw, Michael W.] Ctr Dis Control & Prevent, WHO Collaborating Ctr Influenza, Atlanta, GA USA. [Obuchi, Masatsugu; Odagiri, Takato; Tashiro, Masato] Natl Inst Med Res, WHO Collaborating Ctr Influenza, London NW7 1AA, England. [Gregory, Vicky; Lin, Yi P.] Natl Inst Infect Dis, WHO Collaborating Ctr Influenza, Tokyo, Japan. [Lapedes, Alan S.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. [Stohr, Klaus] Novartis Vaccines & Diagnost, Cambridge, MA USA. RP Smith, DJ (reprint author), Univ Cambridge, Dept Zool, Cambridge, England. EM dsmith@zoo.cam.ac.uk RI Russell, Colin/B-2226-2008; Fouchier, Ron/A-1911-2014; OI Fouchier, Ron/0000-0001-8095-2869; Osterhaus, Albert/0000-0002-6074-1172; Russell, Colin/0000-0002-2113-162X; Hurt, Aeron/0000-0003-1826-4314 FU Medical Research Council [, MC_U117512723]; NIH HHS [DP1-OD000490-01] NR 33 TC 374 Z9 396 U1 6 U2 76 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 18 PY 2008 VL 320 IS 5874 BP 340 EP 346 DI 10.1126/science.1154137 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 288ZZ UT WOS:000255026100034 PM 18420927 ER PT J AU Hanson, R Dobrovitski, VV Feiguin, AE Gywat, O Awschalom, DD AF Hanson, R. Dobrovitski, V. V. Feiguin, A. E. Gywat, O. Awschalom, D. D. TI Coherent dynamics of a single spin interacting with an adjustable spin bath SO SCIENCE LA English DT Article ID SPECTRAL DIFFUSION; QUANTUM DOTS; DIAMOND; RESONANCE; ELECTRON AB Phase coherence is a fundamental concept in quantum mechanics. Understanding the loss of coherence is paramount for future quantum information processing. We studied the coherent dynamics of a single central spin ( a nitrogen- vacancy center) coupled to a bath of spins ( nitrogen impurities) in diamond. Our experiments show that both the internal interactions of the bath and the coupling between the central spin and the bath can be tuned in situ, allowing access to regimes with surprisingly different behavior. The observed dynamics are well explained by analytics and numerical simulations, leading to valuable insight into the loss of coherence in spin systems. These measurements demonstrate that spins in diamond provide an excellent test bed for models and protocols in quantum information. C1 [Hanson, R.; Feiguin, A. E.; Gywat, O.; Awschalom, D. D.] Univ Calif Santa Barbara, Calif Nanosyst Inst, Santa Barbara, CA 93106 USA. [Dobrovitski, V. V.] Ames Lab, Ames, IA 50011 USA. [Dobrovitski, V. V.] Iowa State Univ, Ames, IA 50011 USA. RP Hanson, R (reprint author), Delft Univ Technol, Kavli Inst Nanosci Delft, POB 5046, NL-2600 GA Delft, Netherlands. EM r.hanson@tudelft.nl RI Hanson, Ronald/B-9555-2008 NR 28 TC 219 Z9 223 U1 5 U2 64 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 18 PY 2008 VL 320 IS 5874 BP 352 EP 355 DI 10.1126/science.1155400 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 288ZZ UT WOS:000255026100037 PM 18339902 ER PT J AU Ma, Y Smith, D Hof, PR Foerster, B Hamilton, S Blackband, SJ Yu, M Benveniste, H AF Ma, Yu Smith, David Hof, Patrick R. Foerster, Bernd Hamilton, Scott Blackband, Stephen J. Yu, Mei Benveniste, Helene TI In vivo 3D digital atlas database of the adult C57BL/6J mouse brain by magnetic resonance microscopy SO FRONTIERS IN NEUROANATOMY LA English DT Article DE in vivo mouse brain atlas; magnetic resonance microscopy; mouse brain morphometry; image registration AB In this study, a 3D digital atlas of the live mouse brain based on magnetic resonance microscopy (MRM) is presented. C57BL/6J adult mouse brains were imaged in vivo on a 9.4 Tesla MR instrument at an isotropic spatial resolution of 100 mu m. With sufficient signal-to-noise (SNR) and contrast-to-noise ratio (CNR), 20 brain regions were identified. Several atlases were constructed including 12 individual brain atlases, an average atlas, a probabilistic atlas and average geometrical deformation maps. We also investigated the feasibility of using lower spatial resolution images to improve time efficiency for future morphological phenotyping. All of the new in vivo data were compared to previous published in vitro C57BL/6J mouse brain atlases and the morphological differences were characterized. Our analyses revealed significant volumetric as well as unexpected geometrical differences between the in vivo and in vitro brain groups which in some instances were predictable (e. g. collapsed and smaller ventricles in vitro) but not in other instances. Based on these findings we conclude that although in vitro datasets, compared to in vivo images, offer higher spatial resolutions, superior SNR and CNR, leading to improved image segmentation, in vivo atlases are likely to be an overall better geometric match for in vivo studies, which are necessary for longitudinal examinations of the same animals and for functional brain activation studies. Thus the new in vivo mouse brain atlas dataset presented here is a valuable complement to the current mouse brain atlas collection and will be accessible to the neuroscience community on our public domain mouse brain atlas website. C1 [Ma, Yu; Hamilton, Scott; Yu, Mei; Benveniste, Helene] SUNY Stony Brook, Dept Anesthesiol, Stony Brook, NY 11794 USA. [Smith, David; Foerster, Bernd; Benveniste, Helene] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. [Hof, Patrick R.] Mt Sinai Sch Med, Dept Neurosci, New York, NY USA. [Hof, Patrick R.] Mt Sinai Sch Med, Adv Imaging Program, New York, NY USA. [Blackband, Stephen J.] Univ Florida, Dept Neurosci, McKnight Brain Inst, Gainesville, FL 32610 USA. [Blackband, Stephen J.] Natl High Magnet Field Lab, Tallahassee, FL USA. RP Ma, Y (reprint author), SUNY Stony Brook, Dept Anesthesiol, Stony Brook, NY 11794 USA. EM mayu@bnl.gov FU NYSTAR; DOE OBER; NIH [R01 EB00233-04, P41 RR16105, P50 MH58911]; NHMFL FX The authors would like to acknowledge the financial support of NYSTAR, DOE OBER, the NIH through grants R01 EB00233-04, P41 RR16105 and P50 MH58911 and the NHMFL. The authors would like thank Aditya Siram, Hai-dee Lee, Rubin Pan and Charley Liu, for their assistance at various stages of this project and Dr. Yeming Ma for statistical advice. NR 57 TC 80 Z9 80 U1 2 U2 11 PU FRONTIERS RES FOUND PI LAUSANNE PA PO BOX 110, LAUSANNE, 1015, SWITZERLAND SN 1662-5129 J9 FRONT NEUROANAT JI Front. Neuroanat. PD APR 17 PY 2008 VL 2 AR 1 DI 10.3389/neuro.05.001.2008 PG 10 WC Anatomy & Morphology; Neurosciences SC Anatomy & Morphology; Neurosciences & Neurology GA V23XG UT WOS:000208374900001 PM 18958199 ER PT J AU Feng, D Liu, J Hitchcock, AP Kilcoyne, ALD Tyliszczak, T Riehs, NF Ruhl, E Bozek, JD McIlroy, D Dowben, PA AF Feng, Danqin Liu, Jing Hitchcock, Adam P. Kilcoyne, A. L. David Tyliszczak, Tolek Riehs, Norman F. Ruhl, Eckart Bozek, John D. McIlroy, David Dowben, Peter A. TI Photofragmentation of closo-carboranes. part 1: Energetics of decomposition SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID RICH NEUTRON DETECTORS; INNER-SHELL EXCITATION; BORON-CARBIDE DIODE; ELECTRONIC-STRUCTURE; MOLECULAR FILMS; STABILITY; DEPOSITION AB The ionic fragmentation following B Is and C Is excitation of three isomeric carborane cage compounds [closo-dicarbadodecaboranes: orthocarborane (1,2-C2B10H12), metacarborane (1,7-C2B10H12), and paracarborane (1,12-C2B10H12)] is compared with the energetics of decomposition. The fragmentation yields for all three molecules are quite similar. Thermodynamic cycles are constructed for neutral and ionic species in an attempt to systemically characterize single-ion closo-carborane creation and fragmentation processes. Lower energy decomposition processes are favored. Among the ionic species, the photon-induced decomposition is dominated by BH+ and BH2+ fragment loss. Changes in ion yield associated with core to bound excitations are observed. C1 [Hitchcock, Adam P.] McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada. [Feng, Danqin; Liu, Jing; Dowben, Peter A.] Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA. [Feng, Danqin; Liu, Jing; Dowben, Peter A.] Univ Nebraska, Nebraska Ctr Mat & Nanosci, Lincoln, NE USA. [Kilcoyne, A. L. David; Tyliszczak, Tolek] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Riehs, Norman F.; Ruhl, Eckart] Free Univ Berlin, Inst Chem & Biochem, D-14195 Berlin, Germany. [Bozek, John D.] Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. [McIlroy, David] Univ Idaho, Dept Phys Engn & Phys Bldg, Moscow, ID 83844 USA. RP Hitchcock, AP (reprint author), McMaster Univ, Dept Chem, 1280 Main St W, Hamilton, ON L8S 4M1, Canada. EM pdowbcn@unl.edu RI Bozek, John/E-4689-2010; Bozek, John/E-9260-2010; Liu, Jing/E-7184-2016; Kilcoyne, David/I-1465-2013 OI Bozek, John/0000-0001-7486-7238; NR 31 TC 7 Z9 7 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 17 PY 2008 VL 112 IS 15 BP 3311 EP 3318 DI 10.1021/jp711019q PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 286YW UT WOS:000254883800005 PM 18327925 ER PT J AU Sung, J Kosuda, KM Zhao, J Elam, JW Spears, KG Van Duyne, RP AF Sung, Jiha Kosuda, Kathryn M. Zhao, Jing Elam, Jeffrey W. Spears, Kenneth G. Van Duyne, Richard P. TI Stability of silver nanoparticles fabricated by nanosphere lithography and atomic layer deposition to femtosecond laser excitation SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID SURFACE-PLASMON RESONANCE; STOKES-RAMAN SCATTERING; SUM-FREQUENCY GENERATION; ENCAPSULATED GOLD NANOPARTICLES; THIN-FILM GROWTH; METAL NANOPARTICLES; OPTICAL-PROPERTIES; 2ND-HARMONIC GENERATION; DISTANCE-DEPENDENCE; RELAXATION DYNAMICS AB In this paper, we compare the stability of silver nanoparticles fabricated by nanosphere lithography (NSL) and those coated with atomic layers of Al2O3 to femtosecond laser pulses. Structural changes in the nanoparticles caused by the laser pulses were monitored by UV-vis extinction spectroscopy. It is demonstrated that 1.0 nm thick Al2O3 layers fabricated by atomic layer deposition (ALD) provide a factor of 10 improvement in the stability of the silver nanoparticles against femtosecond laser exposure compared to that for bare nanoparticles. The enhanced stability caused by the Al2O3 layers is explained by the increased surface melting temperature resulting from the decreased mean square displacement of silver atoms located on the nanoparticle surface. This study demonstrates that Al2O3-coated nanoparticles can serve as a stable platform for both linear and nonlinear ultrafast surface-enhanced laser spectroscopy. C1 [Sung, Jiha; Kosuda, Kathryn M.; Zhao, Jing; Spears, Kenneth G.; Van Duyne, Richard P.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Elam, Jeffrey W.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. [Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Van Duyne, RP (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM vanduyne@northwestern.edu NR 74 TC 24 Z9 25 U1 1 U2 33 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 17 PY 2008 VL 112 IS 15 BP 5707 EP 5714 DI 10.1021/jp0774140 PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 286YQ UT WOS:000254883100004 ER PT J AU Greathouse, JA Allendorf, MD AF Greathouse, Jeffery A. Allendorf, Mark D. TI Force field validation for molecular dynamics simulations of IRMOF-1 and other isoreticular zinc carboxylate coordination polymers SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID METAL-ORGANIC FRAMEWORK; VIBRATIONAL-SPECTRA; HYDROGEN ADSORPTION; METHANE STORAGE; SELF-DIFFUSION; MOF-5; DESIGN; SORPTION; ENERGETICS; BEHAVIOR AB Molecular dynamics simulations were conducted to validate a hybrid force field for metal-organic framework-5 (IRMOF-1). In this force field, only nonbonded parameters are used to describe Zn-O interactions. The CVFF force field was used with slight modifications to describe the benzene dicarboxylate linker. The force field correctly predicts a wide range of structural properties of this MOF, including a negative thermal expansion of approximately 1% at 30 and 293 K, in agreement with both theory and experiment. Compressibility results and the associated elastic moduli are in also good agreement with published density functional theory calculations and nanoindentation experiments. The force field predicts a decrease in elastic moduli as temperature increases, which would greatly affect the mechanical properties of MOFs. Calculated vibrational frequencies for Zn-O modes agree with experiment, and a low-frequency mode representing a 180 degrees rotation of the phenyl groups is seen. This rotation becomes more prevalent as the temperature is increased from 300 to 400 K, in agreement with NMR data. Simulations were also carried out with adsorbed guests, including ethanol, cyclohexane, and several chloromethanes. It is shown that the IRMOF-1 lattice parameter depends on the nature of the guest-framework interaction; strongly hydrophilic guests, such as ethanol, cause a decrease (-0.9%) in unit cell volume, while hydrophobic guests cause an increase (0.7-1.5%) in unit cell volume. The calculated free volumes in IRMOF-1 range from 53.5% to 56.0%, in good agreement with experiment. Finally, the activation energy for benzene self-diffusion calculated at low loadings is in good agreement with previous simulations and NMR results, but the magnitude of the diffusion constant is underestimated, most likely because of deficiencies in the CVFF portion of the force field. The results demonstrate, however, that employing a rigid force field results in much poorer agreement with experimental data. Additionally, a flexible force field approach is required when simulating framework stability because of physical changes or the presence of adsorbates. The use of a general-purpose force field for the organic components allows our approach to be extended to other Zn-based frameworks. C1 [Greathouse, Jeffery A.] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. [Allendorf, Mark D.] Sandia Natl Labs, Microfluid Dept, Livermore, CA 94551 USA. RP Greathouse, JA (reprint author), Sandia Natl Labs, Dept Geochem, POB 5800, Albuquerque, NM 87185 USA. EM jagreat@sandia.gov NR 61 TC 87 Z9 89 U1 6 U2 62 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 17 PY 2008 VL 112 IS 15 BP 5795 EP 5802 DI 10.1021/jp076853w PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 286YQ UT WOS:000254883100017 ER PT J AU Luo, HM Mueller, AH McCleskey, TM Burrell, AK Bauer, E Jia, QX AF Luo, Hongmei Mueller, Alex H. McCleskey, T. Mark Burrell, Anthony K. Bauer, Eve Jia, Q. X. TI Structural and photoelectrochemical properties of BiVO4 thin films SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID VISIBLE-LIGHT IRRADIATION; PHOTOCATALYTIC PROPERTIES; MESOPOROUS SILICA; WATER; DECOMPOSITION; ELECTRODES; TIO2; DEGRADATION; DEPOSITION; PARTICLES AB Monoclinic scheelite BiVO4 thin films have been successfully prepared by a chemical solution approach of polymer-assisted deposition. The films are transparent yellow with granular morphology and show a strong absorption in the visible light region. The band gap of BiVO4. films is estimated to be 2.54 eV. The photoresponse of the films on conducting oxide electrode substrates is observed, and the photocurrent increases with the higher energy absorption bands. C1 [Luo, Hongmei; McCleskey, T. Mark; Burrell, Anthony K.; Bauer, Eve; Jia, Q. X.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Mueller, Alex H.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Luo, HM (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. EM hluo@lanl.gov; qxjia@lanl.gov RI McCleskey, Thomas/J-4772-2012; Jia, Q. X./C-5194-2008; OI Mccleskey, Thomas/0000-0003-3750-3245 NR 26 TC 82 Z9 83 U1 6 U2 73 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 17 PY 2008 VL 112 IS 15 BP 6099 EP 6102 DI 10.1021/jp7113187 PG 4 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 286YQ UT WOS:000254883100058 ER PT J AU Grigoryan, HR AF Grigoryan, Hovhannes R. TI Dimension six corrections to the vector sector of AdS/QCD model SO PHYSICS LETTERS B LA English DT Article ID ELECTROMAGNETIC FORM-FACTORS; HOLOGRAPHIC QCD; HADRON PHYSICS AB We study the effects of dimension six terms on the predictions of the holographic model for the vector meson form factors and determine the corrections to the electric radius, the magnetic and the quadrupole moments of the rho-meson. We show that the only dimension six terms which contribute nontrivially to the vector meson form factors are (XF2)-F-2 and F-3. It appears that the effect from the former term is equivalent to the metric deformation and can change only masses, decay constants and charge radii of vector mesons, leaving the magnetic and the quadrupole moments intact. The latter term gives different contributions to the three form factors of the vector meson and changes the values of the magnetic and the quadrupole moments. The results suggest that the addition of the higher dimension terms improves the holographic model. (C) 2008 Elsevier B.V. All rights reserved. C1 [Grigoryan, Hovhannes R.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Grigoryan, Hovhannes R.] Louisiana State Univ, Dept Phys, Baton Rouge, LA 70803 USA. RP Grigoryan, HR (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. EM hgrigol@jlab.org NR 37 TC 10 Z9 10 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 APR 17 PY 2008 VL 662 IS 2 BP 158 EP 164 DI 10.1016/j.physletb.2008.03.002 PG 7 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 293YS UT WOS:000255371900012 ER PT J AU Fujiwara, T Segawa, M Fujisawa, H Murai, T Takahashi, T Omata, K Kabuto, K Lodwig, SN Unkefer, CJ Takeuchi, Y AF Fujiwara, Tomoya Segawa, Masaru Fujisawa, Hidehito Murai, Taiki Takahashi, Tamiko Omata, Kenji Kabuto, Kuninobu Lodwig, Siegfried N. Unkefer, Clifford J. Takeuchi, Yoshio TI Reliable assignment of absolute configuration of chiral amines based on the analysis of (1)H NMR spectra of their CFTA amide diastereomers SO TETRAHEDRON-ASYMMETRY LA English DT Article ID ENANTIOMERIC EXCESS DETERMINATION; MULTIFUNCTIONAL CARBON STRUCTURE; FLUOROPHENYLACETIC ACID CFPA; CHEMICAL-SHIFTS; DERIVATIZING AGENT; NMR; ALCOHOLS; REAGENT; ESTERS; SPECTROSCOPY AB Applications of the CFTA method, a new and reliable procedure for the determination of the absolute configuration of chiral primary amines, are described in detail. In addition to the very high reactivity of CFTA chloride, the stable anti-periplanar conformers of CFTA amides, associated with the chiral structure of fluorine atom on a stereogenic center, are the key factors that make the technique of using (1)H NMR analysis of the CFTA diastereomers very reliable. In particular, this method is useful for the determination of the absolute stereochemistry of isotopically multi-labeled amino acid derivatives. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Fujiwara, Tomoya; Segawa, Masaru; Fujisawa, Hidehito; Murai, Taiki; Takahashi, Tamiko; Takeuchi, Yoshio] Toyama Univ, Grad Sch Med & Pharmaceut Sci Res, Toyama 9300194, Japan. [Omata, Kenji; Kabuto, Kuninobu] Tohoku Univ, Dept Chem, Grad Sch Sci, Aoba Ku, Sendai, Miyagi 9808578, Japan. [Lodwig, Siegfried N.; Unkefer, Clifford J.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87544 USA. RP Takeuchi, Y (reprint author), Toyama Univ, Grad Sch Med & Pharmaceut Sci Res, Sugitani 2630, Toyama 9300194, Japan. EM takeuchi@pha.u-toyama.ac.jp NR 23 TC 9 Z9 9 U1 0 U2 2 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0957-4166 J9 TETRAHEDRON-ASYMMETR JI Tetrahedron-Asymmetry PD APR 17 PY 2008 VL 19 IS 7 BP 847 EP 856 DI 10.1016/j.tetasy.2008.03.003 PG 10 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic; Chemistry, Physical SC Chemistry GA 302SP UT WOS:000255989900012 ER PT J AU Stahlberg, A Elbing, K Andrade-Garda, JM Sjogreen, B Forootan, A Kubista, M AF Stahlberg, Anders Elbing, Karin Andrade-Garda, Jose Manuel Sjogreen, Bjorn Forootan, Amin Kubista, Mikael TI Multiway real-time PCR gene expression profiling in yeast Saccharomyces cerevisiae reveals altered transcriptional response of ADH-genes to glucose stimuli SO BMC GENOMICS LA English DT Article ID ALCOHOL-DEHYDROGENASE; REPRESSION; PATHWAY; PROTEIN; GROWTH; HSP12; OVEREXPRESSION; TRANSPORTER; SPECIFICITY; METABOLISM AB Background: The large sensitivity, high reproducibility and essentially unlimited dynamic range of real-time PCR to measure gene expression in complex samples provides the opportunity for powerful multivariate and multiway studies of biological phenomena. In multiway studies samples are characterized by their expression profiles to monitor changes over time, effect of treatment, drug dosage etc. Here we perform a multiway study of the temporal response of four yeast Saccharomyces cerevisiae strains with different glucose uptake rates upon altered metabolic conditions. Results: We measured the expression of 18 genes as function of time after addition of glucose to four strains of yeast grown in ethanol. The data are analyzed by matrix-augmented PCA, which is a generalization of PCA for 3-way data, and the results are confirmed by hierarchical clustering and clustering by Kohonen self-organizing map. Our approach identifies gene groups that respond similarly to the change of nutrient, and genes that behave differently in mutant strains. Of particular interest is our finding that ADH4 and ADH6 show a behavior typical of glucose-induced genes, while ADH3 and ADH5 are repressed after glucose addition. Conclusion: Multiway real-time PCR gene expression profiling is a powerful technique which can be utilized to characterize functions of new genes by, for example, comparing their temporal response after perturbation in different genetic variants of the studied subject. The technique also identifies genes that show perturbed expression in specific strains. C1 [Stahlberg, Anders; Kubista, Mikael] TATAA Bioctr, Gothenburg 41103, Sweden. [Stahlberg, Anders] Lund Univ, Stem Cell Ctr, Lund 22184, Sweden. [Elbing, Karin] Univ Gothenburg, Dept Cell & Mol Biol, Gothenburg 40530, Sweden. [Andrade-Garda, Jose Manuel] Univ A Coruna, Dept Analyt Chem, E-15071 La Coruna, Spain. [Sjogreen, Bjorn] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. [Forootan, Amin] MultiD Anal AB, Gothenburg 41103, Sweden. [Kubista, Mikael] Acad Sci Czech Republic, Inst Biotechnol, Prague 14220 4, Czech Republic. [Stahlberg, Anders] Univ Gothenburg, Sahlgrenska Acad, Inst Neurosci & Physiol, Dept Clin Neurosci & Rehabilitat, Gothenburg 41390, Sweden. RP Kubista, M (reprint author), TATAA Bioctr, Odinsgatan 28, Gothenburg 41103, Sweden. EM anders.stahlberg@neuro.gu.se; karin.elbing@cmb.gu.se; andrade@udc.es; sjogreen2@llnl.gov; amin.forootan@multid.se; mikael.kubista@img.cas.cz RI Kubista, Mikael/A-5689-2008; OI Kubista, Mikael/0000-0002-2940-352X; Stahlberg, Anders/0000-0003-4243-0191 NR 40 TC 38 Z9 38 U1 0 U2 8 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2164 J9 BMC GENOMICS JI BMC Genomics PD APR 16 PY 2008 VL 9 AR 170 DI 10.1186/1471-2164-9-170 PG 15 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA 298TG UT WOS:000255709400001 PM 18412983 ER PT J AU Armstrong, DE Jacobson, SH AF Armstrong, Derek E. Jacobson, Sheldon H. TI An analysis of neighborhood functions on generic solution spaces SO EUROPEAN JOURNAL OF OPERATIONAL RESEARCH LA English DT Article DE neighborhood functions; local search; discrete optimization ID LOCAL SEARCH; ALGORITHMS; OPTIMA; COMPLEXITY AB The effectiveness of local search algorithms on discrete optimization problems is influenced by the choice of the neighborhood function. A neighborhood function that results in all local minima being global minima is said to have zero L-locals. A polynomially sized neighborhood function with zero L-locals would ensure that at each iteration, a local search algorithm would be able to find an improving solution or conclude that the current solution is a global minimum. This paper presents a recursive relationship for computing the number of neighborhood functions over a generic solution space that results in zero L-locals. Expressions are also given for the number of tree neighborhood functions with zero L-locals. These results provide a first step towards developing expressions that are applicable to discrete optimization problems, as well as providing results that add to the collection of solved graphical enumeration problems. (C) 2007 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Illinois, Dept Comp Sci, Simulation & Optimizat Lab, Urbana, IL 61801 USA. RP Jacobson, SH (reprint author), Los Alamos Natl Lab, X-3 CCIO, MS P363, Los Alamos, NM 87545 USA. EM dearmstr@lanl.gov; shj@uiuc.edu OI Jacobson, Sheldon/0000-0002-9042-8750 NR 21 TC 0 Z9 0 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0377-2217 J9 EUR J OPER RES JI Eur. J. Oper. Res. PD APR 16 PY 2008 VL 186 IS 2 BP 529 EP 541 DI 10.1016/j.ejor.2007.01.043 PG 13 WC Management; Operations Research & Management Science SC Business & Economics; Operations Research & Management Science GA 235JX UT WOS:000251231100008 ER PT J AU Tian, GX Liao, WS Wai, CM Rao, LF AF Tian, Guoxin Liao, Weisheng Wai, Chien M. Rao, Linfeng TI Extraction of trivalent lanthanides with oxa-diamides in supercritical fluid carbon dioxide SO INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH LA English DT Article ID NITRIC-ACID; URANIUM-DIOXIDE; DISSOLUTION; ACTINIDES; COMPLEX; REMOVAL; TODGA AB This paper describes the results of the extraction of trivalent lanthanides Ln(III) by supercritical fluid CO2 (SF-CO2) containing N,N,N',N'-tetrabutyl-3-oxapentanediamide (TBODA), one of a group of neutral oxadiamide ligands that have the potential to replace traditional organophosphorus extractants and make the SF-CO2 extraction process more environmentally benign. According to this study, TBODA dissolves in neat SF-CO2 easily, but the solubility of Ln(III)/TBODA complexes in neat SF-CO2 is low and little Ln(III) can be extracted in the SF-CO2 phase. Addition of small amounts of acetone as a modifier in SF-CO2 can significantly improve the extraction of Ln(III) from either aqueous nitric acid solutions or oxide solids. The low solubility of Ln(III)/TBODA complexes in neat SF-CO2 and the improved solubility of Ln(III)/TBODA complexes in acetone-modified SF-CO2 are discussed in terms of the structure of Ln(III)/TBODA complexes and its effect on solute-solvent interactions. C1 [Tian, Guoxin; Rao, Linfeng] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Liao, Weisheng; Wai, Chien M.] Univ Idaho, Dept Chem, Moscow, ID 83843 USA. RP Tian, GX (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. NR 18 TC 11 Z9 11 U1 1 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0888-5885 J9 IND ENG CHEM RES JI Ind. Eng. Chem. Res. PD APR 16 PY 2008 VL 47 IS 8 BP 2803 EP 2807 DI 10.1021/ie0714221 PG 5 WC Engineering, Chemical SC Engineering GA 286NE UT WOS:000254851800038 ER PT J AU Puso, MA Chen, JS Zywicz, E Elmer, W AF Puso, M. A. Chen, J. S. Zywicz, E. Elmer, W. TI Meshfree and finite element nodal integration methods SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING LA English DT Article DE nodal integration; particle methods; meshfree; explicit time integration ID SMOOTHED PARTICLE HYDRODYNAMICS; GALERKIN METHODS; STABILIZATION AB Nodal integration can be applied to the Galerkin weak form to yield a particle-type method where stress and material history are located exclusively at the nodes and can be employed when using meshless or finite element shape functions. This particle feature of nodal integration is desirable for large deformation settings because it avoids the remapping or advection of the state variables required in other methods. To a lesser degree, nodal integration can be desirable because it relies on fewer stress point evaluations than most other methods. In this work, aspects regarding stability, consistency, efficiency and explicit time integration are explored within the context of nodal integration. Both small and large deformation numerical examples are provided. Copyright (C) 2007 John Wiley & Sons, Ltd. C1 [Puso, M. A.; Zywicz, E.] Lawrence Livermore Natl Lab, Methods Dev Grp, Livermore, CA 94551 USA. [Chen, J. S.; Elmer, W.] Univ Calif Los Angeles, Dept Civil Engn, Los Angeles, CA 90095 USA. RP Puso, MA (reprint author), Lawrence Livermore Natl Lab, Methods Dev Grp, POB 808, Livermore, CA 94551 USA. EM puso@llnl.gov NR 39 TC 100 Z9 107 U1 1 U2 14 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0029-5981 J9 INT J NUMER METH ENG JI Int. J. Numer. Methods Eng. PD APR 16 PY 2008 VL 74 IS 3 BP 416 EP 446 DI 10.1002/nme.2181 PG 31 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 289SO UT WOS:000255074400004 ER PT J AU Wandersman, E Duri, A Robert, A Dubois, E Dupuis, V Perzynski, R AF Wandersman, E. Duri, A. Robert, A. Dubois, E. Dupuis, V. Perzynski, R. TI Probing heterogeneous dynamics of a repulsive colloidal glass by time resolved x-ray correlation spectroscopy SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID TRANSITION; FERROFLUID; GEL; PH AB We present here experimental results obtained by time resolved x-ray correlation spectroscopy, revealing the heterogeneous nature of the dynamics down to the nanoscale in a dense dispersion of magnetic nanoparticles. The dynamical susceptibility, which quantifies the amplitude of the dynamical fluctuations, is investigated in a repulsive colloidal glass. Its value is an order of magnitude smaller than the ones found in gels and is length scale independent in the Q-range of the x-ray scattering experiment. C1 [Wandersman, E.; Dubois, E.; Dupuis, V.; Perzynski, R.] Univ Paris 06, Lab Liquides Ion & Interfaces Chargees, CNRS, UMR 7612, F-75005 Paris, France. [Duri, A.] Deutsch Elektronen Synchrotron Hasylab, D-22607 Hamburg, Germany. [Robert, A.] European Synchrotron Radiat Facil, F-38043 Grenoble 9, France. [Robert, A.] Stanford Univ LUSI LCLS, Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Wandersman, E (reprint author), Univ Paris 06, Lab Liquides Ion & Interfaces Chargees, CNRS, UMR 7612, 4 Pl Jussieu, F-75005 Paris, France. EM wanders@ccr.jussieu.fr RI Dupuis, Vincent/G-6923-2015 NR 26 TC 14 Z9 14 U1 1 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD APR 16 PY 2008 VL 20 IS 15 AR 155104 DI 10.1088/0953-8984/20/15/155104 PG 7 WC Physics, Condensed Matter SC Physics GA 279BE UT WOS:000254329200006 ER PT J AU Chen, Y Vela, J Htoon, H Casson, JL Werder, DJ Bussian, DA Klimov, VI Hollingsworth, JA AF Chen, Yongfen Vela, Javier Htoon, Han Casson, Joanna L. Werder, Donald J. Bussian, David A. Klimov, Victor I. Hollingsworth, Jennifer A. TI "Giant" multishell CdSe nanocrystal quantum dots with suppressed blinking SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID CORE/SHELL NANOCRYSTALS; FLUORESCENCE INTERMITTENCY; MEMBRANE; TRACKING AB Semiconductor nanocrystal quantum dots (NQDs) comprise an important class of inorganic fluorophores for applications from optoelectronics to biology. Unfortunately, to date, NQD optical properties (e.g., their efficient and particle-size-tunable photoluminescence) have been susceptible to instabilities at the bulk and single-particle levels. Specifically, ensemble quantum yields (QYs) in emission are dependent upon NQD surface chemistry and chemical environment, while at the single-particle level, NQDs are, characterized by significant fluorescence intermittency (blinking) that hinders applications as single-photon light sources for quantum informatics and biolabels for real-time monitoring of single biomolecules. Furthermore, while NQDs are significantly more photostable than their organic dye counterparts, traditional NODS photobleach over periods of seconds to many minutes. Here we demonstrate for the first time that by encapsulating the NQD core in a sufficiently thick inorganic shell, we are able to divorce NQD function from NQD surface chemistry and chemical environment. We show that our "giant" NQDs (g-NQDs) are functionally distinct from standard core-only, core/shell and even core/multishell NQDs. g-NQDs are substantially less sensitive to changes in surface chemistry. They do not photobleach under continuous laser excitation over periods of several hours repeated over several days, and they exhibit markedly different blinking behavior; >20% of the g-NQDs do not while >40% have on-time fractions of >80%. All of these observations are in stark contrast with control samples comprising core-only and standard, thinner core/multishell NQDs. C1 [Chen, Yongfen; Vela, Javier; Htoon, Han; Casson, Joanna L.; Werder, Donald J.; Bussian, David A.; Klimov, Victor I.; Hollingsworth, Jennifer A.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Hollingsworth, JA (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM jenn@lanl.gov RI Vela, Javier/I-4724-2014; OI Vela, Javier/0000-0001-5124-6893; Klimov, Victor/0000-0003-1158-3179; Htoon, Han/0000-0003-3696-2896 NR 18 TC 461 Z9 464 U1 13 U2 222 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 16 PY 2008 VL 130 IS 15 BP 5026 EP 5027 DI 10.1021/ja711379k PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 287RA UT WOS:000254933000013 PM 18355011 ER PT J AU Kim, YK Rousseau, R Kay, BD White, JM Dohnalek, Z AF Kim, Yu Kwon Rousseau, Roger Kay, Bruce D. White, J. M. Dohnalek, Zdenek TI Catalytic dehydration of 2-propanol on (WO(3))(3) clusters on TiO(2)(110) SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID SURFACE-STRUCTURE; OXIDE; CHEMISTRY AB Our study of a (WO(3))(3)/TiO(2)(110) model mixed oxide catalyst shows that this system is an extremely efficient for dehydration of alcohols, effectively lowering the energy barrier as much as possible for an endothermic reaction without yielding a significant concentration of other side products. C1 [Rousseau, Roger; Kay, Bruce D.; White, J. M.; Dohnalek, Zdenek] Pacific NW Natl Lab, Fundamental Sci Directorate & Inst Int Catalysis, Richland, WA 99352 USA. [Kim, Yu Kwon; White, J. M.] Univ Texas Austin, Ctr Mat Chem, Dept Chem & Biochem, Austin, TX 78712 USA. RP Rousseau, R (reprint author), Pacific NW Natl Lab, Fundamental Sci Directorate & Inst Int Catalysis, Richland, WA 99352 USA. EM zdenek.dohnalek@pni.gov RI Rousseau, Roger/C-3703-2014; OI Dohnalek, Zdenek/0000-0002-5999-7867 NR 17 TC 54 Z9 54 U1 5 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 16 PY 2008 VL 130 IS 15 BP 5059 EP + DI 10.1021/ja800730g PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 287RA UT WOS:000254933000029 PM 18361489 ER PT J AU Zhai, HJ Li, S Dixon, DA Wang, LS AF Zhai, Hua-Jin Li, Sheriggang Dixon, David A. Wang, Lai-Sheng TI Probing the electronic and structural properties of chromium oxide clusters (CrO3)(n)(-) and (CrO3)(n) (n=1-5): Photoelectron Spectroscopy and density functional calculations SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID EXCHANGE-CORRELATION POTENTIALS; TRANSITION-METAL CLUSTERS; FRANCK-CONDON FACTORS; CORRELATION-ENERGY; GAS-PHASE; EXCITATION-SPECTRA; QUANTUM-CHEMISTRY; INFRARED-SPECTRA; NEGATIVE-ION; AB-INITIO AB Photoelectron spectroscopy has been conducted for a series of (CrO3)(n)(-) (n = 1-5) clusters and compared with density functional calculations. Well-resolved photoelectron spectra were obtained for (CrO3)(n)(-) (n = 1-5) at 193 nm (6.424 eV) and 157 nm (7.866 eV) photon energies, allowing for accurate measurements of the electron binding energies, low-lying electronic excitations for n = 1 and 2, and the energy gaps. Density functional and molecular orbital theory (CCSD(T)) calculations were performed to locate the ground and low-lying excited states for the neutral clusters and to calculate the electron binding energies of the anionic species. The experimental and computational studies firmly establish the unique low-spin, nonplanar, cyclic ring structures for (CrO3)(n) and (CrO3)(n)(-) for n >= 3. The structural parameters of (CrO3)(n) are shown to converge rapidly to those of the bulk CrO3 crystal. The extra electron in (CrO3)(n)(-) (n >= 2) is shown to be largely delocalized over all Cr centers, in accord with the relatively sharp ground-state photoelectron bands. The measured energy gaps of (CrO3)(n) exhibit a sharp increase from n = 1 to n = 3 and approach to the bulk value of 2.25 eV at n = 4 and 5, consistent with the convergence of the structural parameters. C1 [Zhai, Hua-Jin; Wang, Lai-Sheng] Washington State Univ, Dept Phys, Richland, WA 99354 USA. [Zhai, Hua-Jin; Wang, Lai-Sheng] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Li, Sheriggang; Dixon, David A.] Univ Alabama, Dept Chem, Tuscaloosa, AL 35487 USA. RP Dixon, DA (reprint author), Washington State Univ, Dept Phys, 2710 Univ Dr, Richland, WA 99354 USA. EM dadixon@bama.ua.edu; ls.wang@pnl.gov NR 77 TC 70 Z9 70 U1 3 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 16 PY 2008 VL 130 IS 15 BP 5167 EP 5177 DI 10.1021/ja077984d PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 287RA UT WOS:000254933000041 PM 18327905 ER PT J AU Xie, XJ Gorelsky, SI Sarangi, R Garner, DK Hwang, HJ Hodgsont, KO Hedman, B Lu, Y Solornon, EI AF Xie, Xiangjin Gorelsky, Serge I. Sarangi, Ritimukta Garner, Dewain K. Hwang, Hee Jung Hodgsont, Keith O. Hedman, Britt Lu, Yi Solornon, Edward I. TI Perturbations to the geometric and electronic structure of the CUA site: Factors that influence delocalization and their contributions to electron transfer SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID CYTOCHROME-C-OXIDASE; X-RAY-ABSORPTION; MIXED-VALENCE; A CENTER; GROUND-STATE; PROTON PUMP; PARACOCCUS-DENITRIFICANS; THERMUS-THERMOPHILUS; FINE-STRUCTURE; 2.8 ANGSTROM AB Using a combination of electronic spectroscopies and DFT calculations, the effect of pH perturbation on the geometric and electronic structure of the CUA site has been defined. Descriptions are developed for high pH (pH = 7) and low pH (pH = 4) forms Of CUA azurin and its H120A mutant which address the discrepancies concerning the extent of delocalization indicated by multifrequency EPR and ENDOR data (J. Am. Chem. Soc. 2005, 127, 7274; Biophys. J. 2002, 82, 2758). Our resonance Raman and MCD spectra demonstrate that the low pH and H120A mutant forms are essentially identical and are the perturbed forms of the completely delocalized high pH CUA site. However, in going from high pH to low pH, a seven-line hyperfine coupling pattern associated with complete delocalization of the electron (S = 1/2) over two Cu coppers (I-cu = 3/2) changes into a four-line pattern reflecting apparent localization. DFT calculations show that the unpaired electron is delocalized in the low pH form and reveal that its four-line hyperfine pattern results from the large EPR spectral effects of similar to 1% 4s orbital contribution of one Cu to the ground-state spin wave function upon protonative loss of its His ligand. The contribution of the Cu-Cu interaction to electron delocalization in this low symmetry protein site is evaluated, and the possible functional significance of the pH-dependent transition in regulating proton-coupled electron transfer in cytochrome c oxidase is discussed. C1 [Garner, Dewain K.; Hwang, Hee Jung; Lu, Yi] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. [Xie, Xiangjin; Gorelsky, Serge I.; Sarangi, Ritimukta; Hodgsont, Keith O.; Solornon, Edward I.] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Hodgsont, Keith O.; Hedman, Britt; Solornon, Edward I.] Stanford Univ, SLAC, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Lu, Y (reprint author), Univ Illinois, Dept Chem, 1209 W Calif St, Urbana, IL 61801 USA. EM yi-lu@uiuc.edu; edward.solomon@stanford.edu RI Lu, Yi/B-5461-2010 OI Lu, Yi/0000-0003-1221-6709 FU NCRR NIH HHS [P41 RR-001209, RR-01209] NR 68 TC 30 Z9 31 U1 1 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 16 PY 2008 VL 130 IS 15 BP 5194 EP 5205 DI 10.1021/ja7102668 PG 12 WC Chemistry, Multidisciplinary SC Chemistry GA 287RA UT WOS:000254933000044 PM 18348522 ER PT J AU Graves, CR Yang, P Kozimor, SA Vaughn, AE Clark, DL Conradson, SD Schelter, EJ Scott, BL Thompson, JD Hay, PJ Morris, DE Kiplinger, JL AF Graves, Christopher R. Yang, Ping Kozimor, Stosh A. Vaughn, Anthony E. Clark, David L. Conradson, Steven D. Schelter, Eric J. Scott, Brian L. Thompson, J. D. Hay, P. Jeffrey Morris, David E. Kiplinger, Jaqueline L. TI Organometallic uranium(V)-imido halide complexes: From synthesis to electronic structure and bonding SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID VALENT ORGANOURANIUM COMPLEXES; EARLY ACTINIDE COMPLEXES; PROTON CONTACT SHIFTS; PENTAVALENT URANIUM; ABSORPTION SPECTRA; URANYL-ION; ARYLOXIDE DERIVATIVES; CRYSTAL-STRUCTURE; FUNCTIONAL-GROUPS; IMIDO COMPOUNDS AB Reaction of (C(5)Me(5))(2)U(=N-2,4,6-(t)BU(3)-C(6)H(2)) or (C(5)Me(5))(2)U(=N-2,6-(i)Pr(2)-C(6)H(3))(THF) with 5 equiv of CuX(n) (n = 1, X = Cl, Br, I; n = 2, X = F) affords the corresponding uranium(V)-imido halide complexes, (C(5)Me(5))(2)U(=N-Ar)(X) (where Ar = 2,4,6-(t)BU(3)-C(6)H(2) and X = F (3), Cl (4), Br (5), I (6); Ar = 2,6-(i)Pr(2)-C(6)H(3) and X = F (7), Cl (6), Br (9), I (10)), in good isolated yields of 75-89%. These compounds have been characterized by a combination of single-crystal X-ray diffraction, (1)H NMR spectroscopy, elemental analysis, mass spectrometry, cyclic voltammetry, UV-visible-NIR absorption spectroscopy, and variable-temperature magnetic susceptibility. The uranium L(III)-edge X-ray absorption spectrum of (C(5)Me(5))(2)U(=N-2,4,6-(t)BU(3)-C(6)H(2))(Cl) (4) was analyzed to obtain structural information, and the U=N(imido) (1.97(1) angstrom), U-Cl (2.60(2) angstrom), and U-C(5)Me(5) (2.84(1) angstrom) distances were consistent with those observed for compounds 3, 5, 6, 8-10, which were all characterized by single-crystal X-ray diffraction studies. All (C5Me5)2U(=N-Ar)(X) complexes exhibit U(V)/U(IV) and U(VI)/U(V) redox couples by voltammetry, with the potential separation between these metal-based couples remaining essentially constant at similar to 1.50 V. The electronic spectra are comprised of pi ->pi* and pi -> nb(5f) transitions involving electrons in the metal-imido bond, and metal-centered f-f bands illustrative of spin-orbit and crystal-field influences on the 5f(1) valence electron configuration. Two distinct sets of bands are attributed to transitions derived from this 5f1 configuration, and the intensities in these bands increase dramatically over those found in, spectra of classical 5f(1) actinide coordination complexes. Temperature-dependent magnetic susceptibilities are reported for all complexes with mu(eff) values ranging from 2.22 to 2.53 mu B. The onset of quenching of orbital angular momentum by ligand fields is observed to occur at similar to 40 K in all cases. Density functional theory results for the model complexes (C(5)Me(5))(2)U(=N-C(6)H(5))(F) (11) and (C(5)Me(5))(2)U(=N-C(6)H(5))(I) (12) show good agreement with experimental structural and electrochemical data and provide a basis for assignment of spectroscopic bands. The bonding analysis describes multiple bonding between the uranium metal center and imido nitrogen which is comprised of one sigma and two pi interactions with variable participation of 5f and 6d orbitals from the uranium center. C1 [Graves, Christopher R.; Yang, Ping; Kozimor, Stosh A.; Vaughn, Anthony E.; Clark, David L.; Conradson, Steven D.; Schelter, Eric J.; Scott, Brian L.; Thompson, J. D.; Hay, P. Jeffrey; Morris, David E.; Kiplinger, Jaqueline L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Hay, PJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM kiplinger@lanl.gov RI Clark, David/A-9729-2011; Yang, Ping/E-5355-2011; Schelter, Eric/E-2962-2013; Morris, David/A-8577-2012; Kiplinger, Jaqueline/B-9158-2011; Scott, Brian/D-8995-2017; OI Kiplinger, Jaqueline/0000-0003-0512-7062; Scott, Brian/0000-0003-0468-5396; Yang, Ping/0000-0003-4726-2860 NR 95 TC 121 Z9 121 U1 7 U2 53 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 16 PY 2008 VL 130 IS 15 BP 5272 EP 5285 DI 10.1021/ja711010 PG 14 WC Chemistry, Multidisciplinary SC Chemistry GA 287RA UT WOS:000254933000052 PM 18366174 ER PT J AU Volkow, ND Fowler, JS Wang, GJ Telang, F Logan, J Wong, C Ma, J Pradhan, K Benveniste, H Swanson, JM AF Volkow, Nora D. Fowler, Joanna S. Wang, Gene-Jack Telang, Frank Logan, Jean Wong, Christopher Ma, Jim Pradhan, Kith Benveniste, Helene Swanson, James M. TI Methylphenidate Decreased the Amount of Glucose Needed by the Brain to Perform a Cognitive Task SO PLOS ONE LA English DT Article AB The use of stimulants (methylphenidate and amphetamine) as cognitive enhancers by the general public is increasing and is controversial. It is still unclear how they work or why they improve performance in some individuals but impair it in others. To test the hypothesis that stimulants enhance signal to noise ratio of neuronal activity and thereby reduce cerebral activity by increasing efficiency, we measured the effects of methylphenidate on brain glucose utilization in healthy adults. We measured brain glucose metabolism (using Positron Emission Tomography and 2-deoxy-2[18F] fluoro-D-glucose) in 23 healthy adults who were tested at baseline and while performing an accuracy-controlled cognitive task (numerical calculations) given with and without methylphenidate (20 mg, oral). Sixteen subjects underwent a fourth scan with methylphenidate but without cognitive stimulation. Compared to placebo methylphenidate significantly reduced the amount of glucose utilized by the brain when performing the cognitive task but methylphenidate did not affect brain metabolism when given without cognitive stimulation. Whole brain metabolism when the cognitive task was given with placebo increased 21% whereas with methylphenidate it increased 11% (50% less). This reflected both a decrease in magnitude of activation and in the regions activated by the task. Methylphenidate's reduction of the metabolic increases in regions from the default network (implicated in mind-wandering) was associated with improvement in performance only in subjects who activated these regions when the cognitive task was given with placebo. These results corroborate prior findings that stimulant medications reduced the magnitude of regional activation to a task and in addition document a "focusing'' of the activation. This effect may be beneficial when neuronal resources are diverted (i.e., mind-wandering) or impaired (i.e., attention deficit hyperactivity disorder), but it could be detrimental when brain activity is already optimally focused. This would explain why methylphenidate has beneficial effects in some individuals and contexts and detrimental effects in others. C1 [Volkow, Nora D.] Natl Inst Drug Abuse, Bethesda, MD 20892 USA. [Volkow, Nora D.; Telang, Frank; Ma, Jim] Natl Inst Alcohol Abuse & Alcoholism, Bethesda, MD USA. [Fowler, Joanna S.; Wang, Gene-Jack; Logan, Jean; Wong, Christopher; Pradhan, Kith; Benveniste, Helene] Brookhaven Natl Lab, Med Dept, Upton, NY USA. [Swanson, James M.] Univ Calif Irvine, Child Dev Ctr, Irvine, CA USA. RP Volkow, ND (reprint author), Natl Inst Drug Abuse, Bethesda, MD 20892 USA. EM nvolkow@nida.nih.gov OI Logan, Jean/0000-0002-6993-9994 FU Intramural Research Program of the NIH (National Institutes on Alcoholism and Alcohol Abuse); Department of Energy Office of Biological and Environmental Research [DE-AC01-76CH00016] FX This research was supported in part by the Intramural Research Program of the NIH (National Institutes on Alcoholism and Alcohol Abuse) and by the Department of Energy (Office of Biological and Environmental Research, contract DE-AC01-76CH00016). NR 35 TC 52 Z9 52 U1 1 U2 8 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD APR 16 PY 2008 VL 3 IS 4 AR e2017 DI 10.1371/journal.pone.0002017 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 371XZ UT WOS:000260867300026 PM 18414677 ER PT J AU Boulet, SL Rasmussen, SA Honein, MA AF Boulet, Sheree L. Rasmussen, Sonja A. Honein, Margaret A. TI A population-based study of craniosynostosis in metropolitan Atlanta, 1989-2003 SO AMERICAN JOURNAL OF MEDICAL GENETICS PART A LA English DT Article DE craniosynostosis; craniofacial abnormalities; epidemiology; prevalence ID BIRTH-DEFECTS SURVEILLANCE; DIFFERENTIAL-DIAGNOSIS; CLINICAL FINDINGS; MATERNAL SMOKING; CERTIFICATE DATA; GESTATIONAL-AGE; INCREASED RISK; VALIDATION; SYNOSTOSIS; PROGRAM AB Craniosynostosis is a birth defect characterized by premature fusion of one or more cranial Sutures. We describe the birth prevalence of craniosynostosis and related risk factors among infants born to residents of metropolitan Atlanta during 1989-2003. Data from the Metropolitan Atlanta Congenital Defects Program (MACDP) were used to identify, infants with craniosynostosis. Case records with a code for craniosynostosis were reviewed to substantiate the diagnosis of craniosynostosis and to classify infants as having isolated craniosynostosis (no other unrelated major defects), multiple defects (one or more additional major, unrelated defects), or a syndrome (recognized or strongly suspected single-gene condition or chromosome abnormality). Vital records data on births of Georgia residents were used to analyze craniosynostosis prevalence by year of birth, maternal race and age, parity, plurality, and infants' sex, birth weight, and gestational age. We identified 281 infants born with craniosynostosis in metropolitan Atlanta during 1989-2003: 84% with isolated craniosynostosis, 7% with multiple defects, and 9% with syndromes. The birth prevalence was 4.3 per 10,000 births, results consistent with findings from other population-based studies using similar case definitions. Apert syndrome was diagnosed in 40% of the syndromic cases, and sagittal synostosis was diagnosed in 39% of the cases of nonsyndromic craniosynostosis. Maternal age 35 years or older, multiple birth, male sex, and birth weight >4,000 g were risk factors for craniosynostosis. Published 2008 Wiley-Liss, Inc. C1 [Boulet, Sheree L.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Boulet, Sheree L.; Rasmussen, Sonja A.; Honein, Margaret A.] Ctr Dis Control & Prevent, Natl Ctr Birth Defects & Dev Disabil, Atlanta, GA 30333 USA. RP Boulet, SL (reprint author), Ctr Dis Control & Prevent, Natl Ctr Birth Defects & Dev Disabil, 1600 Clifton Rd,MS-E87, Atlanta, GA 30333 USA. EM sboulet@cdc.gov NR 40 TC 95 Z9 95 U1 0 U2 9 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 1552-4825 J9 AM J MED GENET A JI Am. J. Med. Genet. A PD APR 15 PY 2008 VL 146A IS 8 BP 984 EP 991 DI 10.1002/ajmg.a.32208 PG 8 WC Genetics & Heredity SC Genetics & Heredity GA 282SO UT WOS:000254587700003 PM 18344207 ER PT J AU Marchetti, N Fairchild, JN Guiochon, G AF Marchetti, Nicola Fairchild, Jacob N. Guiochon, Georges TI Comprehensive off-line, two-dimensional liquid chromatography. Application to the separation of peptide digests SO ANALYTICAL CHEMISTRY LA English DT Article ID SINGLE COMPLEX CHROMATOGRAMS; PEAK-CAPACITY; GRADIENT ELUTION; MASS-SPECTROMETRY; GAS-CHROMATOGRAPHY; STATISTICAL-METHOD; SPOT OVERLAP; COLUMNS; PHASE; NUMBER AB The separation of the peptide digests of myoglobin and bovine serum albumin was performed with an off-line combination of two commercial, conventional HPLC columns. The first column was packed with a strong ion exchanger and eluted with a KC1 gradient. The second column was packed with particles of C-18-bonded silica and eluted with an acetonitrile gradient The conditional peak capacities of the 2D separations achieved exceed 7000 under the experimental conditions investigated. This performance is achieved at the cost of an analysis time of the order of 28 hours. Possible improvements to the separation method described here are discussed. C1 [Guiochon, Georges] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. 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 RI Marchetti, Nicola/G-4933-2010; OI Marchetti, Nicola/0000-0001-5595-570X NR 64 TC 37 Z9 38 U1 3 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 EI 1520-6882 J9 ANAL CHEM JI Anal. Chem. PD APR 15 PY 2008 VL 80 IS 8 BP 2756 EP 2767 DI 10.1021/ac7022662 PG 12 WC Chemistry, Analytical SC Chemistry GA 288EN UT WOS:000254969100015 PM 18355083 ER PT J AU Frey, SL Chi, EY Arratia, C Majewski, J Kjaer, K Lee, KYC AF Frey, Shelli Chi, Eva Y. Arratia, Cristobal Majewski, Jaroslaw Kjaer, Kristian Lee, Ka Yee C. TI Condensing and fluidizing effects of ganglioside G(M1) on phospholipid films SO BIOPHYSICAL JOURNAL LA English DT Article ID AIR-WATER-INTERFACE; DMPC/DMTAP LIPID-BILAYERS; X-RAY; FLUORESCENCE MICROSCOPY; SURFACE-PROPERTIES; CELL-MEMBRANES; MELANOMA-CELLS; ATOMIC-FORCE; MONOLAYERS; GM1 AB Mixed monolayers of the ganglioside Gm, and the lipid dipalmitoylphosphatidlycholine (DPPC) at air-water and solid-air interfaces were investigated using various biophysical techniques to ascertain the location and phase behavior of the ganglioside molecules in a mixed membrane. The effects induced by Gm, on the mean molecular area of the binary mixtures and the phase behavior of DPPC were followed for Gm, concentrations ranging from 5 to 70 mol %. Surface pressure isotherms and fluorescence microscopy imaging of domain formation indicate that at low concentrations of G(M1) (<25 mol %), the monolayer becomes continually more condensed than DPPC upon further addition of ganglioside. At higher Gm, concentrations (>25 mol %), the mixed monolayer becomes more expanded or fluid-like. After deposition onto a solid substrate, atomic force microscopy imaging of these lipid monolayers showed that Gm, and DPPC pack cooperatively in the condensed phase domain to form geometrically packed complexes that are more ordered than either individual component as evidenced by a more extended total height of the complex arising from a well-packed hydrocarbon tail region. Grazing incidence x-ray diffraction on the DPPC/G(M1) binary mixture provides evidence that ordering can emerge when two otherwise fluid components are mixed together. The addition of Gm, to DPPC gives rise to a unit cell that differs from that of a pure DPPC monolayer. To determine the region of the Gm, molecule that interacts with the DPPC molecule and causes condensation and subsequent expansion of the monolayer, surface pressure isotherms were obtained with molecules modeling the backbone or headgroup portions of the Gm, molecule. The observed concentration -dependent condensing and fluidizing effects are specific to the rigid, sugar headgroup portion of the Gm, molecule. C1 Univ Chicago, James Franck Inst, Inst Biophys Dynam, Dept Chem, Chicago, IL 60637 USA. Univ Chile, Fac Phys & Math Sci, Dept Phys, Santiago, Chile. Los Alamos Neutron Scattering Ctr, Los Alamos, NM 87545 USA. Max Planck Inst Colloids & Interfaces, Potsdam, Germany. RP Lee, KYC (reprint author), Univ Chicago, James Franck Inst, Inst Biophys Dynam, Dept Chem, Chicago, IL 60637 USA. EM kayeelee@uchicago.edu RI Lujan Center, LANL/G-4896-2012; Arratia, Cristobal/G-5376-2015 OI Arratia, Cristobal/0000-0001-8784-5847 FU NIA NIH HHS [AG025649, F32 AG025649] NR 60 TC 45 Z9 45 U1 1 U2 22 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD APR 15 PY 2008 VL 94 IS 8 BP 3047 EP 3064 DI 10.1529/biophysj.107.119990 PG 18 WC Biophysics SC Biophysics GA 280IP UT WOS:000254420100014 PM 18192361 ER PT J AU Shaw, WJ Ferris, K Tarasevich, B Larson, JL AF Shaw, Wendy J. Ferris, Kim Tarasevich, Barbara Larson, Jenna L. TI The structure and orientation of the C-terminus of LRAP SO BIOPHYSICAL JOURNAL LA English DT Article ID LEUCINE-RICH AMELOGENIN; SOLID-STATE NMR; ATOMIC-FORCE MICROSCOPY; ENAMEL-MATRIX PROTEINS; DOUBLE-RESONANCE NMR; BOVINE TOOTH ENAMEL; HYDROXYAPATITE CRYSTALS; MOLECULAR-CONFORMATION; PORCINE-AMELOGENINS; TRANSLATION PRODUCT AB Amelogenin is the predominant protein found during enamel development and is thought to be the biomineralization protein controlling the unique elongated hydroxyapatite crystals that constitute enamel. The secondary structure of biomineralization proteins is thought to be important in the interaction with hydroxyapatite. Unfortunately, very little data are available on the structure or the orientation of amelogenin, either in solution or bound to hydroxyapatite. The C-terminus contains the majority of the charged residues and is predicted to interact with hydroxyapatite; thus, we used solid-state NMR dipolar recoupling techniques to investigate the structure and orientation of the C-terminus of LRAP, a naturally occurring splice variant of full-length amelogenin. Using C-13{N-15} Rotational Echo DOuble Resonance (REDOR), the structure of the C-terminus was found to be largely random coil, both on the surface of hydroxyapatite as well as lyophilized from solution. The orientation of the C-terminal region with respect to hydroxyapatite was investigated for two alanine residues (Ala(46) and Ala(49)) using C-13{P-31} REDOR and one lysine residue (Lys(52)) using N-15 {P-31} REDOR. The residues examined were found to be 7.0, 5.7, and 5.8 angstrom from the surface of hydroxyapatite for Ala(46), Ala(49), and Lys(52), respectively. This provides direct evidence that the charged C-terminus is interacting closely with hydroxyapatite, positioning the acidic amino acids to aid in controlling crystal growth. However, solid-state NMR dynamics measurements also revealed significant mobility in the C-terminal region of the protein, in both the side chains and the backbone, suggesting that this region alone is not responsible for binding. C1 [Shaw, Wendy J.; Ferris, Kim; Tarasevich, Barbara; Larson, Jenna L.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Shaw, WJ (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM wendy.shaw@pnl.gov FU NIDCR NIH HHS [DE-015347, R01 DE015347, R01 DE015347-04] NR 72 TC 31 Z9 31 U1 1 U2 8 PU BIOPHYSICAL SOC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD APR 15 PY 2008 VL 94 IS 8 BP 3247 EP 3257 DI 10.1529/biophyj.107.119636 PG 11 WC Biophysics SC Biophysics GA 280IP UT WOS:000254420100033 PM 18192371 ER PT J AU Hahn-Hagerdal, B Himmel, ME Somerville, C Wyman, C AF Hahn-Hagerdal, Barbel Himmel, Michael E. Somerville, Chris Wyman, Charles TI Welcome to Biotechnology for Biofuels SO BIOTECHNOLOGY FOR BIOFUELS LA English DT Editorial Material C1 [Hahn-Hagerdal, Barbel] Lund Univ, LTH, Dept Appl Microbiol, S-22100 Lund, Sweden. [Himmel, Michael E.] Natl Renewable Energy Lab, Chem & Biosci Ctr, Golden, CO 80401 USA. [Somerville, Chris] Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94720 USA. [Wyman, Charles] Univ Calif Riverside, Bourns Coll Engn, Ctr Environm Res & Technol CE CERT, Riverside, CA 92507 USA. RP Hahn-Hagerdal, B (reprint author), Lund Univ, LTH, Dept Appl Microbiol, POB 124, S-22100 Lund, Sweden. EM barbel.hahn-hagerdal@tmb.lth.se; Mike_Himmel@nrel.gov; crs@berkeley.edu; charles.wyman@ucr.edu NR 3 TC 4 Z9 5 U1 0 U2 7 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1754-6834 J9 BIOTECHNOL BIOFUELS JI Biotechnol. Biofuels PD APR 15 PY 2008 VL 1 AR 1 DI 10.1186/1754-6834-1-1 PG 4 WC Biotechnology & Applied Microbiology; Energy & Fuels SC Biotechnology & Applied Microbiology; Energy & Fuels GA 521GW UT WOS:000271909600001 PM 18471312 ER PT J AU Dilmore, RM Allen, DE Jones, JRM Hedges, SW Soong, Y AF Dilmore, Robert M. Allen, Douglas E. Jones, J. Richard Mccarthy Hedges, Sheila W. Soong, Yee TI Sequestration of dissolved CO2 in the Oriskany formation SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID CARBON-DIOXIDE; SALINE AQUIFERS; DISPOSAL AB Experiments were conducted to determine the solubility of CO2 in a natural brine solution of the Oriskany formation under elevated temperature and pressure conditions. These data were collected at temperatures of 22 and 75 degrees C and pressures between 100 and 450 bar. Experimentally determined data were compared with CO2 solubility predictions using a model developed by Duan and Sun (Chem. GeoL 2003, 193,257-271). Model results compare well with Oriskany brine CO2 solubility data collected experimentally, suggesting that the Duan and Sun model is a reliable tool for estimating solution CO2 capacity in high salinity aquifers in the temperature and pressure range evaluated. The capacity for the Oriskany formation to sequester dissolved CO2 was calculated using results of the solubility models, estimation of the density of CO2 saturated brine, and available geographic information system (GIS) information on the formation depth and thickness. Results indicate that the Oriskany formation can hold approximately 0.36 gigatonnes of dissolved CO2 if the full basin is considered. When only the region where supercritical CO2 can exist (temperatures greater than 31 degrees C and pressures greater than 74 bar) is considered the capacity of the Oriskany formation to sequester dissolved CO2 is 0.31 gigatonnes. The capacity estimate considering the potential to sequester free-phase supercritical CO2 if brine were displaced from formation pore space is 8.8 gigatonnes in the Oriskany formation. C1 [Dilmore, Robert M.; Jones, J. Richard Mccarthy; Hedges, Sheila W.; Soong, Yee] Natl Energy Technol Lab, US Dept Energy, Pittsburgh, PA 15236 USA. [Allen, Douglas E.] Salem State Coll, Dept Geol Sci, Salem, MA 01970 USA. RP Dilmore, RM (reprint author), Natl Energy Technol Lab, US Dept Energy, 626 Cochrans Mill Rd,POB 10940, Pittsburgh, PA 15236 USA. EM dilmore@netl.doe.gov NR 29 TC 18 Z9 18 U1 1 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 15 PY 2008 VL 42 IS 8 BP 2760 EP 2766 DI 10.1021/es702229f PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 287BD UT WOS:000254890400016 PM 18497120 ER PT J AU Tokunaga, TK Wan, JM Kim, YM Sutton, SR Newville, M Lanzirotti, A Rao, W AF Tokunaga, Tetsu K. Wan, Jiamin Kim, Yongman Sutton, Steve R. Newville, Matthew Lanzirotti, Antonio Rao, William TI Real-time X-ray absorption spectroscopy of uranium, iron, and manganese in contaminated sediments during bioreduction SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID SOLID-WATER INTERFACE; MICROBIAL REDUCTION; REDUCING CONDITIONS; OXIDATION-STATE; SOIL MANGANESE; FERRIC IRON; OXIDES; REOXIDATION; IRON(III); NITRATE AB The oxidation status of uranium in sediments is important because the solubility of this toxic and radioactive element is much greater for U(VI) than for U(IV) species. Thus, redox manipulation to promote precipitation of UO2 is receiving interest as a method to remediate U-contaminated sediments. Presence of Fe and Mn oxides in sediments at much higher concentrations than U requires an understanding of their redox status as well. This study was conducted to determine changes in oxidation states of U, Fe, and Mn in U-contaminated sediments from Oak Ridge National Laboratory. Oxidation states of these elements were measured in real-time and nondestructively using X-ray absorption spectroscopy on sediment columns supplied with synthetic groundwater containing organic carbon (OC, 0, 3, 10, 30, and 100 mM OC as lactate) for over 400 days. In sediments supplied with OC >= 30 mM, 80% of the U was reduced to U(IV), with transient reoxidation at about 150 days. Mn(III,IV) oxides were completely reduced to Mn(II) in sediments infused with OC >= 3 mM. However, Fe remained largely unreduced in all sediment columns, showing that Fe(III) can persist as an electron acceptor in reducing sediments over long times, This result in combination with the complete reduction of all other potential electron acceptors supports the hypothesis that the reactive Fe(III) fraction was responsible for reoxidizing U(IV). C1 [Tokunaga, Tetsu K.; Wan, Jiamin; Kim, Yongman] Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Sutton, Steve R.; Newville, Matthew; Lanzirotti, Antonio] Univ Chicago, Chicago, IL 60637 USA. [Rao, William] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Tokunaga, TK (reprint author), Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM tktokunaga@Ibl.gov RI Tokunaga, Tetsu/H-2790-2014; Wan, Jiamin/H-6656-2014; Kim, Yongman/D-1130-2015 OI Tokunaga, Tetsu/0000-0003-0861-6128; Kim, Yongman/0000-0002-8857-1291 NR 39 TC 13 Z9 13 U1 6 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 15 PY 2008 VL 42 IS 8 BP 2839 EP 2844 DI 10.1021/es702364x PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 287BD UT WOS:000254890400028 PM 18497132 ER PT J AU Robrock, KR Korytar, P Alvarez-Cohen, L AF Robrock, Kristin R. Korytar, Peter Alvarez-Cohen, Lisa TI Pathways for the anaerobic microbial debromination of polybrominated diphenyl ethers SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID SP-NOV; REDUCTIVE DECHLORINATION; DESULFITOBACTERIUM-DEHALOGENANS; POLYCHLORINATED-BIPHENYLS; DEHALOCOCCOIDES STRAINS; ENRICHMENT CULTURES; GAS-CHROMATOGRAPHY; FLAME-RETARDANT; GEN-NOV; BACTERIUM AB The debromination pathways of seven polybrominated diphenyl ethers (PBDEs) by three different cultures of anaerobic dehalogenating bacteria were investigated using comprehensive two-dimensional gas chromatography (GC x GC): The congeners analyzed were the five major components of the industrially used octa-BDE mixture (octa-BDEs 196, 203, and 197, hepta-BDE 183, and hexa-BDE 153) as well as the two most commonly detected PBDEs in the environment, penta-BDE 99 and tetra-BDE 47. Among the dehalogenating cultures evaluated in this study were a trichloroethene-enriched consortium containing multiple Dehalococcoides species, and two pure cultures, Dehalobacter restrictus PER-K23 and Desulfitobacterium hafniense PCP-1. PBDE samples were analyzed by GC x GC coupled to an electron capture detector to maximize separation and identification of the product congeners. All studied congeners were debrominated to some extent by the three cultures and all exhibited similar debromination pathways with preferential removal of para and meta bromines. Debromination of the highly brominated congeners was extremely slow, with usually less than 10% of nM concentrations of PBDEs transformed after three months. In contrast, debromination of the lesser brominated congeners, such as penta 99 and tetra 47, was faster, with some cultures completely debrominating nM levels of tetra 47 within weeks. C1 [Robrock, Kristin R.; Alvarez-Cohen, Lisa] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Korytar, Peter] Wageningen IMARES, Ijmuiden, Netherlands. [Alvarez-Cohen, Lisa] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Alvarez-Cohen, L (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. EM alvarez@ce.berkeley.edu FU NIEHS NIH HHS [ES04705] NR 38 TC 107 Z9 126 U1 16 U2 85 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 15 PY 2008 VL 42 IS 8 BP 2845 EP 2852 DI 10.1021/es0720917 PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 287BD UT WOS:000254890400029 PM 18497133 ER PT J AU Courtin-Nomade, A Soubrand-Colin, M Marcus, MA Fakra, SC AF Courtin-Nomade, Alexandra Soubrand-Colin, Marilyne Marcus, Matthew A. Fakra, Sirine C. TI Evidence for the incorporation of lead into barite from waste rock pile materials SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID BASO4-PBSO4 SOLID-SOLUTION; CONTAMINATED SOILS; RAMAN-SPECTROSCOPY; MINE TAILINGS; PIXE ANALYSIS; HEAVY-METALS; IRON-OXIDES; ADSORPTION; MINERALOGY; SPECIATION AB Because Pb is one of the most toxic elements and is found as a major contaminant in mining environments, this study aims to identify the distribution of this element in host phases issued from the alteration of mine wastes. The sampling location was a former mine near Oakland, California (USA). This mine was once a source of sulfide minerals from which sulfuric acid was made. The material discussed in this paper was collected in iron hardpans that were formed,within the waste rock pile resulting from the excavation work. In most contaminated environments (soils, mine waste), secondary metal-bearing phases arising from alteration processes are usually fine-grained (from 10 mu m to less than 1 mu m) and highly heterogeneous, requiring the use of micron-scale techniques. We performed micro-Raman spectroscopy, microscanning X-ray diffraction (SXRD), and microextended X-ray near edge spectroscopy (XANES) to determine the relationships between Pb and a Ba/Fe-rich host phase. Micro-Raman spectroscopy suggests that Pb is preferentially incorporated into barite rather than goethite. Results from micro-Raman experiments show the high sensitivity of this analytical tool to the incorporation of Pb into barite by being especially sensitive to the variations of the S-O bond and showing the characteristic bands due to the contribution of Pb. This association is confirmed and is well-illustrated by micro-SXRD mineral species maps showing the correlation between Pb and barite. Microfocused XANES indicates that Pb is present as Pb(2+), agreeing with the in situ physicochemical parameters. C1 [Courtin-Nomade, Alexandra; Soubrand-Colin, Marilyne] Univ Limoges, Lab HydrASA, UMR 6532, CNRS,Equipe ETM,FST, F-87060 Limoges, France. [Marcus, Matthew A.; Fakra, Sirine C.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Courtin-Nomade, A (reprint author), Univ Limoges, Lab HydrASA, UMR 6532, CNRS,Equipe ETM,FST, 123 Ave Albet Thomas, F-87060 Limoges, France. EM alexandra.courtin@unilim.fr NR 46 TC 8 Z9 8 U1 2 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 15 PY 2008 VL 42 IS 8 BP 2867 EP 2872 DI 10.1021/es702822k PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 287BD UT WOS:000254890400032 PM 18497136 ER PT J AU N'Guessan, AL Vrionis, HA Resch, CT Long, PE Lovley, DR AF N'Guessan, A. Lucie Vrionis, Helen A. Resch, Charles T. Long, Philip E. Lovley, Derek R. TI Sustained removal of uranium from contaminated groundwater following stimulation of dissimilatory metal reduction SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID PERMEABLE REACTIVE BARRIER; SULFATE-REDUCING BACTERIA; MICROBIAL U(VI) REDUCTION; IN-SITU BIOREMEDIATION; BIOSORPTION; SORPTION; COMPLEXATION; ENVIRONMENT; SEDIMENTS; AQUIFER AB Previous field studies on in situ bioremediation of uranium-contaminated groundwater in an aquifer in Rifle, Colorado identified two distinct phases following the addition of acetate to stimulate microbial respiration. In phase 1, Geobacter species are the predominant organisms, Fe(III) is reduced, and microbial reduction of soluble U(VI) to insoluble U(IV) removes uranium from the groundwater. In phase 11, Fe(III) is depleted, sulfate is reduced, and sulfate-reducing bacteria predominate. Long-term monitoring revealed an unexpected third phase during which U(VI) removal continues even after acetate additions are stopped. All three of these phases were successfully reproduced in flow-through sediment columns. When sediments from the third phase were heat sterilized, the capacity for U(VI) removal was lost. In the live sediments U(VI) removed from the groundwater was recovered as U(VI) in the sediments. This contrasts to the recovery of U(IV) in sediments resulting from the reduction of U(VI) to U(IV) during the Fe(Ill) reduction phase in acetate-amended sediments. Analysis of 16S rRNA gene sequences in the sediments in which U(VI) was being adsorbed indicated that members of the Firmicutes were the predominant organisms whereas no Firmicutes sequences were detected in background sediments which did not have the capacity to sorb U(VI), suggesting that the U(VI) adsorption might be due to the presence of these living organisms or at least their intact cell components. This unexpected enhanced adsorption of U(VI) onto sediments following the stimulation of microbial growth in the subsurface may potentially enhance the cost effectiveness of in situ uranium bioremediation. C1 [N'Guessan, A. Lucie; Vrionis, Helen A.; Lovley, Derek R.] Univ Massachusetts, Dept Microbiol, Amherst, MA 01003 USA. [Resch, Charles T.; Long, Philip E.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP N'Guessan, AL (reprint author), Univ Massachusetts, Dept Microbiol, Amherst, MA 01003 USA. EM nguesa@microbio.umass.edu RI Long, Philip/F-5728-2013 OI Long, Philip/0000-0003-4152-5682 NR 51 TC 78 Z9 78 U1 8 U2 40 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 15 PY 2008 VL 42 IS 8 BP 2999 EP 3004 DI 10.1021/es071960p PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 287BD UT WOS:000254890400053 PM 18497157 ER PT J AU Fujita, Y Taylor, JL Gresham, TLT Delwiche, ME Colwell, FS McLing, TL Petzke, LM Smith, RW AF Fujita, Yoshiko Taylor, Joanna L. Gresham, Tina L. T. Delwiche, Mark E. Colwell, Frederick S. McLing, Travis L. Petzke, Lynn M. Smith, Robert W. TI Stimulation of microbial urea hydrolysis in groundwater to enhance calcite precipitation SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID BASALT AQUIFER; CARBONATE PRECIPITATION; ARTIFICIAL GROUNDWATER; BACTERIAL UREOLYSIS; IN-SITU; SUBSURFACE; COMMUNITIES; SAMPLES AB Addition of molasses and urea was tested as a means of stimulating microbial urea hydrolysis in the Eastern Snake River Plain Aquifer in Idaho. Ureolysis is an integral component of a novel remediation approach for divalent trace metal and radionuclide contaminants in groundwater and associated geomedia, where the contaminants are immobilized by coprecipitation in calcite. Generation of carbonate alkalinity from ureolysis promotes calcite precipitation. In calcite-saturated aquifers, this represents a potential long-term contaminant sequestration mechanism. In a single-well experiment, dilute molasses was injected three times over two weeks to promote overall microbial growth, followed by one urea injection. With molasses addition, total cell numbers in the groundwater increased 1-2 orders of magnitude. Estimated ureolysis rates in recovered groundwater samples increased from < 0.1 to > 25 nmol L-1 hr(-1). A quantitative PCR assay for the bacterial ureC gene indicated that urease gene numbers increased up to 170 times above pre-injection levels. Following urea injection, calcite precipitates were recovered. Estimated values for an in situ first order ureolysis rate constant ranged from 0.016 to 0.057 d(-1). Although collateral impacts such as reduced permeability were observed, overall results indicated the viability of manipulating biogeochemical processes to promote contaminant sequestration. C1 [Fujita, Yoshiko; Taylor, Joanna L.; Gresham, Tina L. T.; Delwiche, Mark E.; Colwell, Frederick S.; McLing, Travis L.; Petzke, Lynn M.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Taylor, Joanna L.; Gresham, Tina L. T.; Petzke, Lynn M.] Idaho State Univ, Pocatello, ID 83209 USA. [Smith, Robert W.] Univ Idaho, Idaho Falls, ID 83402 USA. RP Fujita, Y (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM yoshiko.fujita@inl.gov RI Fujita, Yoshiko/S-2007-2016 OI Fujita, Yoshiko/0000-0002-4472-4102 NR 40 TC 89 Z9 92 U1 4 U2 34 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD APR 15 PY 2008 VL 42 IS 8 BP 3025 EP 3032 DI 10.1021/es702643g PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 287BD UT WOS:000254890400057 PM 18497161 ER PT J AU Catalano, JG Park, C Fenter, P Zhang, Z AF Catalano, Jeffrey G. Park, Changyong Fenter, Paul Zhang, Zhan TI Simultaneous inner- and outer-sphere arsenate adsorption on corundum and hematite SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Review ID X-RAY REFLECTIVITY; GOETHITE-WATER INTERFACE; THEORETICAL MOLECULAR EVIDENCE; CHROMATE RETENTION MECHANISMS; OXIDE-SOLUTION INTERFACES; CRYSTAL TRUNCATION RODS; PREDICTIVE MODEL ETLM; SITU ATR-FTIR; SURFACE SPECIATION; IRON-OXIDES AB The ability to predict the fate and transport of arsenic in aquatic environments, its impact on water quality and human health, and the performance and cost-effectiveness of water treatment systems relies on understanding how it interacts with solid surfaces. In situ resonant surface X-ray scattering measurements of arsenate adsorption at pH 5 in 0.01 M NaCl on corundum and hematite (012) surfaces demonstrate that arsenate surface complexation is unexpectedly bimodal, adsorbing simultaneously as inner- and outer-sphere species. In addition, this bimodal behavior is found to be independent of the total arsenate solution concentration, and thus surface coverage, over the range of 10(-6) to 10(-3) M. Alternative mechanisms to produce the observed As distributions, such as arsenate dimerization or surface precipitation of an aluminum or ferric arsenate, are inconsistent with the experimentally-determined total and As-specific density profiles. Based on the location of the outersphere arsenate in relation to the surfaces studied, possible binding mechanisms include electrostatic attraction, hydrogen bonding to surface oxygen functional group, and configurational stabilization by interfacial water. Although the observation of outer-sphere arsenate surface complexes on a metal oxide surface is unprecedented, it is unclear if such species were absent in previous molecular-scale studies, as it is difficult for methods commonly used to investigate the mechanisms of arsenate adsorption to conclusively identify or rule out the presence of outer-sphere species when inner-sphere species are also present. (c) 2008 Elsevier Ltd. All rights reserved. C1 [Catalano, Jeffrey G.; Park, Changyong; Fenter, Paul] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. [Zhang, Zhan] Washington Univ, Adv Photon Source, St Louis, MO 63141 USA. RP Catalano, JG (reprint author), Washington Univ, Dept Earth & Planetary Sci, 1 Brookings Dr,Campus Box 1169, St Louis, MO 63141 USA. EM catalano@wustl.edu RI Catalano, Jeffrey/A-8322-2013; Park, Changyong/A-8544-2008; Zhang, Zhan/A-9830-2008 OI Catalano, Jeffrey/0000-0001-9311-977X; Park, Changyong/0000-0002-3363-5788; Zhang, Zhan/0000-0002-7618-6134 NR 114 TC 129 Z9 132 U1 16 U2 93 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 EI 1872-9533 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD APR 15 PY 2008 VL 72 IS 8 BP 1986 EP 2004 DI 10.1016/j.gca.2008.02.013 PG 19 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 290IO UT WOS:000255116700004 ER PT J AU Chorover, J Choi, S Rotenberg, P Serne, RJ Rivera, N Strepka, C Thompson, A Mueller, KT O'Day, PA AF Chorover, Jon Choi, Sunkyung Rotenberg, Paula Serne, R. Jeff Rivera, Nelson Strepka, Caleb Thompson, Aaron Mueller, Karl T. O'Day, Peggy A. TI Silicon control of strontium and cesium partitioning in hydroxide-weathered sediments SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID SIMULATED TANK-WASTE; MULTIPLE-SCATTERING CALCULATIONS; RAY-ABSORPTION SPECTROSCOPY; CRYSTAL-STRUCTURE; CLAY-MINERALS; HANFORD SITE; HYPERALKALINE CONDITIONS; PHASE TRANSFORMATIONS; SUBSURFACE SEDIMENTS; NITRATE-CANCRINITE AB Cation partitioning and speciation in an aqueous soil suspension may depend on the coupling of reaction time, sorbate amount and mineral weathering reactions. These factors were varied in sediment suspension experiments to identify geochemical processes that affect migration of Sr2+ and Cs+ introduced to the subsurface by caustic high level radioactive waste (HLRW). Three glacio-fluvial and lacustrine sediments from the Hanford Site (WA, USA) were subjected to hyperalkaline (pH > 13), Na-Al-NO3-OH solution conditions within a gradient field of (i) sorptive concentration (10(-5)-10(-3) m) and (ii) reaction time (0-365 d). Strontium uptake (q(Sr)) exceeded that of cesium at nearly all reaction times. Sorbent affinity for both Cs+ and Sr2+ increased with clay plus silt content at early times, but a prolonged slow uptake process was observed over the course of sediment weathering that erased the texture effect for Sr2+; all sediments showed similar mass normalized uptake after several months of reaction time. Strontium became progressively recalcitrant to desorption after 92 d, with accumulation and aging of neoformed alummosilicates. Formation of Cs+ and Sr-2 -containing cancrinite and sodalite was observed after 183 d by SEM and synchrotron mu-XRF and mu-XRD. EXAFS data for q(Sr) approximate to 40 mmol kg(-1) showed incorporation of Sr2+ into both feldspathoid and SrCO3(S) coordination environments after one year. Adsorption was predominant at early times and low sorbate amount, whereas precipitation, controlled largely by sediment Si release, became increasingly important at longer times and higher sorbate amount. Kinetics of contaminant desorption at pH 8 from one year-weathered sediments showed significant dependence on background cation (Ca2+ versus K+) composition. Results of this study indicate that co-precipitation and ion exchange in neoformed alummosilicates may be an important mechanism controlling Sr2+ and Cs+ mobility in siliceous sediments impacted by hyperalkaline HLRW. (c) 2008 Elsevier Ltd. All rights reserved. C1 [Chorover, Jon; Thompson, Aaron] Univ Arizona, Dept Soil Water & Environm Sci, Tucson, AZ 85721 USA. [Choi, Sunkyung; Rivera, Nelson; O'Day, Peggy A.] Univ Calif, Sch Nat Sci, Merced, CA USA. [Rotenberg, Paula] Tetra Tech Rizzo, Framingham, MA USA. [Serne, R. Jeff] Pacific NW Natl Lab, Richland, WA 99352 USA. [Strepka, Caleb; Mueller, Karl T.] Penn State Univ, Dept Chem, University Pk, PA 16802 USA. RP Chorover, J (reprint author), Univ Arizona, Dept Soil Water & Environm Sci, Tucson, AZ 85721 USA. EM Chorover@cals.arizona.edu RI Mueller, Karl/A-3637-2010 NR 78 TC 31 Z9 31 U1 2 U2 32 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD APR 15 PY 2008 VL 72 IS 8 BP 2024 EP 2047 DI 10.1016/j.gca.2008.01.026 PG 24 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 290IO UT WOS:000255116700006 ER PT J AU Asay, JR Ao, T Davis, JP Hall, C Vogler, TJ Gray, GT AF Asay, J. R. Ao, T. Davis, J. -P. Hall, C. Vogler, T. J. Gray, G. T., III TI Effect of initial properties on the flow strength of aluminum during quasi-isentropic compression SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SHEAR-STRENGTH; CONSTITUTIVE MODEL; Z-ACCELERATOR; SHOCK-WAVE; VELOCITIES; PRESSURES; SAPPHIRE; RELEASE; STRESS; SOLIDS AB A magnetic loading technique was used to ramp load pure aluminum and 6061 aluminum alloy to peak stresses of approximately 29 GPa. The peak loading rate was approximately 10(6)/s, followed by unloading from peak stress at a rate of about 10(5)/s. The pure aluminum samples had impurity levels ranging from about 10 ppm to 0.5 wt % and average grain sizes in the range of 144-454 mu m. The 6061 alloy was prepared in either the T6 condition with grain sizes of 5-50 mu m, or in the T0 or T6 heat treatment condition with a grain size of about 40 mu m. A wave profile technique was used to estimate the compressive strength during unloading. It was found that the compressive strength estimated during unloading increased with peak stress for all materials and that the change in strength was insensitive to initial material properties. This observation is in agreement with previous results obtained from shock loading of the same materials [H. Huang and J. R. Asay, J. Appl. Phys. 98, 033524 (2005)] and suggests that the deformation mechanisms, which govern strength properties at high strain rates, are similar for the two cases. It was also found that the quasielastic strain occurring during unloading saturated at about 2% in 6061-T6 alloy for peak stresses in the range of 10-50 GPa. The change in quasielastic strain was found to be similar for pure aluminum and 6061 alloys. (c) 2008 American Institute of Physics. C1 [Asay, J. R.; Ao, T.; Davis, J. -P.; Hall, C.; Vogler, T. J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Gray, G. T., III] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Asay, JR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jrasay@sandia.gov RI Vogler, Tracy/B-4489-2009 NR 56 TC 18 Z9 23 U1 1 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2008 VL 103 IS 8 AR 083514 DI 10.1063/1.2902855 PG 16 WC Physics, Applied SC Physics GA 295DW UT WOS:000255456200045 ER PT J AU DeMange, P Negres, RA Rubenchik, AM Radousky, HB Feit, MD Demos, SG AF DeMange, P. Negres, R. A. Rubenchik, A. M. Radousky, H. B. Feit, M. D. Demos, S. G. TI The energy coupling efficiency of multiwavelength laser pulses to damage initiating defects in deuterated KH(2)PO(4) nonlinear crystals SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID POTASSIUM DIHYDROGEN PHOSPHATE; OPTICAL-MATERIALS; INDUCED BREAKDOWN; PERFORMANCE; KDP AB The bulk damage performance of potassium dihydrogen phosphate crystals under simultaneous exposure to 1064, 532, and 355 nm nanosecond-laser pulses is investigated in order to probe the mechanisms governing damage initiation during frequency conversion. The results provide insight into the dependence on laser parameters of the defect-assisted excitation process responsible for coupling of the laser energy into the lattice under exposure to high power laser light. In addition, it is suggested that the damage performance can be directly related to and predicted from the damage behavior of the crystal at each wavelength separately. (C) 2008 American Institute of Physics. C1 [DeMange, P.; Negres, R. A.; Rubenchik, A. M.; Radousky, H. B.; Feit, M. D.; Demos, S. G.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP DeMange, P (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94550 USA. EM demange1@llnl.gov RI Feit, Michael/A-4480-2009 NR 23 TC 25 Z9 26 U1 1 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2008 VL 103 IS 8 AR 083122 DI 10.1063/1.2907992 PG 8 WC Physics, Applied SC Physics GA 295DW UT WOS:000255456200023 ER PT J AU Halabica, A Idrobo, JC Pantelides, ST Magruder, RH Pennycook, SJ Haglund, RF AF Halabica, A. Idrobo, J. C. Pantelides, S. T. Magruder, R. H., III Pennycook, S. J. Haglund, R. F., Jr. TI Pulsed infrared laser annealing of gold nanoparticles embedded in a silica matrix SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID FLOAT GLASS; ION; IRRADIATION; COLLOIDS AB Pulsed infrared laser irradiation was used to modify the optical and physical properties of gold nanoparticles in a SiO(2) substrate. The primary laser wavelength used for annealing was 8 mu m, where the primary absorption was in the substrate. The optical absorption spectra exhibit a typical surface plasmon peak at 520 nm, which increases with laser fluence. This implies growth of the gold nanoparticles during laser annealing but the size distribution remains narrow, unlike some thermal annealing procedures that produce bimodal size distributions. The results were confirmed by scanning transmission electron microscopy and were consistent with the calculations of expected extinction spectra. (C) 2008 American Institute of Physics. C1 [Halabica, A.; Idrobo, J. C.; Pantelides, S. T.; Pennycook, S. J.; Haglund, R. F., Jr.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Magruder, R. H., III] Belmont Univ, Dept Chem & Phys, Nashville, TN 37212 USA. [Idrobo, J. C.; Pantelides, S. T.; Pennycook, S. J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Halabica, A (reprint author), Vanderbilt Univ, Dept Phys & Astron, 6301 Stevenson Ctr, Nashville, TN 37235 USA. EM andrej.halabica@vanderbilt.edu RI Idrobo, Juan/H-4896-2015 OI Idrobo, Juan/0000-0001-7483-9034 NR 23 TC 3 Z9 3 U1 3 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2008 VL 103 IS 8 AR 083545 DI 10.1063/1.2909965 PG 4 WC Physics, Applied SC Physics GA 295DW UT WOS:000255456200076 ER PT J AU Herrera, M Ortalan, V Morgan, DG Browning, ND Rupich, MW AF Herrera, M. Ortalan, V. Morgan, D. G. Browning, N. D. Rupich, M. W. TI Observation of the three-dimensional distribution of flux pinning centers in Dy-doped YBa(2)Cu(3)O(7-x) coated conductors SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID BA-CU-O; CRITICAL-CURRENT DENSITY; BIAXIALLY TEXTURED NI; GRAIN-BOUNDARIES; THIN-FILMS; ELECTRON TOMOGRAPHY; YBCO FILMS; RUTHERFORD SCATTERING; CRITICAL CURRENTS; SINGLE-GRAIN AB The spatial distribution of flux pinning centers (such as defects, secondary phases, etc.) has a critical effect on the superconducting properties of YBa(2)Cu(3)O(7-x) (YBCO) coated conductors. To increase the flux pinning in coated conductors, impurities such as Dy can be intentionally added during processing to induce the formation of distributed insulating nanostructures. In this work, we show that the addition of Dy to a particular YBCO coated conductor gives rise to a high density of secondary nanoparticles of composition (Y(s)Dy(1-s))(2)Cu(2)O(5) with s similar to 0.6. Using high-angle annular dark-field tomographic methods, the three-dimensional distribution of these insulating nanoparticles is determined. The size of the nanoparticles and the uniformity of their distribution are found to depend on their interaction with the grain boundary network within the YBCO layer. A bimodal distribution in the size of the particles is seen, where areas away from grain boundaries have a favorable uniform distribution of small particles (similar to 25 nm) while unfavorable isolated large particles 100-140 nm are seen to intersect the grain boundaries. A grain boundary diffusion model is proposed to account for the agglomeration of the small nanoparticles to form the large ones to the detriment of flux pinning within these local regions of the superconductor. (C) 2008 American Institute of Physics. C1 [Herrera, M.; Ortalan, V.; Morgan, D. G.; Browning, N. D.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Browning, N. D.] Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, Livermore, CA 94550 USA. [Rupich, M. W.] Amer Supercond Corp, Westborough, MA 01581 USA. RP Herrera, M (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, 1 Shields Ave, Davis, CA 95616 USA. EM miriam.herrara@uca.es OI Herrera Collado, Miriam/0000-0002-2325-5941; Browning, Nigel/0000-0003-0491-251X NR 41 TC 7 Z9 7 U1 4 U2 14 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2008 VL 103 IS 8 AR 084301 DI 10.1063/1.2905322 PG 7 WC Physics, Applied SC Physics GA 295DW UT WOS:000255456200140 ER PT J AU Higuchi, T Yamasaki, T Suzuki, Y Gotoh, K Hattori, T Tsukamoto, T AF Higuchi, Tohru Yamasaki, Taro Suzuki, Yuko Gotoh, Keisuke Hattori, Takeshi Tsukamoto, Takeyo TI Ferroelectric and structural properties of Ba(2-x)Sr(x)NaNb(5)O(15) thin films prepared on La(0.05)Sr(0.95)TiO(3) substrates SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID MAGNETRON SPUTTERING METHOD; PULSED-LASER DEPOSITION; RAY EMISSION-SPECTROSCOPY; BARIUM SODIUM NIOBATE; ELECTRONIC-STRUCTURES; OPTICAL-PROPERTIES; BA2NANB5O15; CRYSTALS; BAND AB The Sr-substituted Ba(2)NaNb(5)O(15) (Ba(2-x)Sr(x)NaNb(5)O(15)) thin films were prepared on the La(0.05)Sr(0.95)TiO(3) substrates by pulsed laser deposition. When the substrate temperature was fixed at 700 degrees C, the thin films exhibited highly c-axis orientation and smooth surface. The c-axis orientation and surface roughness do not depend much on Sr concentration. These thin films consisted of small grains with a diameter of 50-80 nm against the film thickness of 400 nm. The postannealed Ba(2-x)Sr(x)NaNb(5)O(15) thin films exhibited good P-E hysteresis loops. The remanent polarization (P(r)) and coercive field (E(c)) at x=1.4 were 2P(r)=59.4 mu C/cm(2) and 2E(c)=182.0 kV/cm, respectively. Its leakage current was 4.0 x 10(-7) A/cm(2). The low leakage current contributes to the increase in band gap with Sr substitution. (c) 2008 American Institute of Physics. C1 [Higuchi, Tohru] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Yamasaki, Taro; Suzuki, Yuko; Gotoh, Keisuke; Hattori, Takeshi; Tsukamoto, Takeyo] Tokyo Univ Sci, Dept Appl Phys, Tokyo 1628601, Japan. RP Higuchi, T (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS 7R0222, Berkeley, CA 94720 USA. EM higuchi@rs.kagu.tus.ac.jp RI Higuchi, Tohru/C-6544-2012 NR 27 TC 1 Z9 1 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2008 VL 103 IS 8 AR 084108 DI 10.1063/1.2903072 PG 4 WC Physics, Applied SC Physics GA 295DW UT WOS:000255456200122 ER PT J AU Roper, CS Radmilovic, V Howe, RT Maboudian, R AF Roper, Christopher S. Radmilovic, Velimir Howe, Roger T. Maboudian, Roya TI Characterization of polycrystalline 3C-SiC films deposited from the precursors 1,3-disilabutane and dichlorosilane SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; SILICON-CARBIDE; LPCVD REACTOR; THIN-FILMS; GROWTH; STRAIN AB Polycrystalline 3C-SiC thin films are deposited via low pressure chemical vapor deposition from the precursors 1,3-disilabutane (DSB) and dichlorosilane (DCS). Elemental composition, microstructure, surface morphology, and residual stress are characterized as functions of DCS flow rate fraction. Elemental composition varies linearly with DCS fraction, while microstructure changes drastically with slight changes in DCS fraction. Residual stress varies from 1.2 GPa tensile to 240 MPa tensile, and the causes of which are traced to variations in elemental composition and grain size. A model of residual stress accounting for the effects of elemental composition and grain size on intrinsic stress is developed and found to be in reasonable agreement with experimental data. (c) 2008 American Institute of Physics. C1 [Roper, Christopher S.; Maboudian, Roya] Univ Calif Berkeley, Berkeley Sensor & Actuator Ctr, Berkeley, CA 94720 USA. [Roper, Christopher S.; Maboudian, Roya] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Radmilovic, Velimir] Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Howe, Roger T.] Stanford Univ, Dept Elect Engn, Stanford, CA 94305 USA. RP Maboudian, R (reprint author), Univ Calif Berkeley, Berkeley Sensor & Actuator Ctr, Berkeley, CA 94720 USA. EM maboudia@berkeley.edu NR 21 TC 17 Z9 18 U1 1 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2008 VL 103 IS 8 AR 084907 DI 10.1063/1.2907871 PG 6 WC Physics, Applied SC Physics GA 295DW UT WOS:000255456200180 ER PT J AU Sell, BC Ritchey, SB Yang, SH Parkin, SSP Watanabe, M Mun, BS Plucinski, L Mannella, N Nambu, A Guo, J West, MW Salmassi, F Kortright, JB Fadley, CS AF Sell, B. C. Ritchey, S. B. Yang, S. -H. Parkin, S. S. P. Watanabe, M. Mun, B. S. Plucinski, L. Mannella, N. Nambu, A. Guo, J. West, M. W. Salmassi, F. Kortright, J. B. Fadley, C. S. TI Determination of buried interface composition and magnetism profiles using standing-wave excited soft x-ray emission and inelastic scattering SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID PHOTOEMISSION; SPECTROSCOPY AB We demonstrate that a standing-wave/wedge (swedge) method for probing buried solid-solid interfaces can be carried out using soft x-ray emission spectroscopy (XES) and resonant inelastic x-ray scattering (RIXS). For the particular case of an Al(2)O(3)/Fe/Cr structure of relevance to giant magnetoresistance, measurements of Fe L and Cr L total intensities and Fe L magnetic circular dichroism are used to derive for both the top and bottom Fe interfaces the depth profile of composition and the depth dependence of the atom-specific Fe contribution to magnetization. Using XES and RIXS in this method, as compared to photoelectron spectroscopy in prior work, permits studying more deeply buried interfaces, and suggests future applications to a wide variety of magnetic and nonmagnetic nanostructures. (c) 2008 American Institute of Physics. C1 [Sell, B. C.; Ritchey, S. B.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Sell, B. C.; Ritchey, S. B.; Watanabe, M.; Plucinski, L.; Nambu, A.; West, M. W.; Salmassi, F.; Kortright, J. B.; Fadley, C. S.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Sell, B. C.; Ritchey, S. B.] Otterbein Coll, Dept Phys, Westerville, OH 43081 USA. [Yang, S. -H.; Parkin, S. S. P.] IBM Corp, Almaden Res Ctr, San Jose, CA 95120 USA. [Watanabe, M.] RIKEN Spring8, Sayo, Hyogo 6795148, Japan. [Mun, B. S.] Hanyang Univ, Dept Appl Phys, Ansan 426791, Gyeonggi Do, South Korea. [Plucinski, L.; Fadley, C. S.] Julich Res Ctr, Solid State Phys Res Inst, D-52425 Julich, Germany. [Mannella, N.; Fadley, C. S.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Mannella, N.; Guo, J.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Mannella, N.] Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. [Nambu, A.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Sell, BC (reprint author), Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. EM bsell@otterbein.edu RI Parkin, Sean/E-7044-2011; Parkin, Stuart/D-2521-2012; MSD, Nanomag/F-6438-2012; Mun, Bongjin /G-1701-2013; Plucinski, Lukasz/J-4987-2013 OI Plucinski, Lukasz/0000-0002-6865-7274 NR 9 TC 7 Z9 7 U1 0 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 APR 15 PY 2008 VL 103 IS 8 AR 083515 DI 10.1063/1.2906331 PG 8 WC Physics, Applied SC Physics GA 295DW UT WOS:000255456200046 ER PT J AU Smith, KL Lumpkin, GR Blackford, MG Colella, M Zaluzec, NJ AF Smith, Katherine L. Lumpkin, Gregory R. Blackford, Mark G. Colella, Michael Zaluzec, Nestor J. TI In situ radiation damage studies of La(x)Sr(1-3x/2)TiO(3) perovskites SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID IRRADIATION-INDUCED AMORPHIZATION; ION-BEAM IRRADIATION; DISPLACEMENT ENERGIES; PYROCHLORE; TEMPERATURE; SRTIO3; ACCUMULATION; CRYSTALLINE; ZIRCONOLITE; ACTINIDES AB Seven perovskite samples in the La(x)Sr(1-3x/2)TiO(3) solid solution series were monitored in situ during irradiation with 1.0 MeV Kr(2+) ions using the intermediate voltage electron microscope-Tandem User Facility (IVEM) at Argonne National Laboratory. All the perovskites pass through the crystalline-amorphous transformation. However, the critical temperature for amorphisation T(c) of the La(x)Sr(1-3x/2)TiO(3) perovskites varies nonlinearly with composition, decreasing from 394 +/- 3 K for SrTiO(3) to a minimum of 275 +/- 1 K for La(0.2)Sr(0.7)TiO(3), then increasing with composition again to 865 +/- 3 K for La(0.67)TiO(3). In combination with the work of previous authors, the electron microscopy results and IVEM data in this study suggest that there is a vacancy-assisted recovery mechanism in the cubic perovskites with compositions in the range 0 < x < 0.2 that may not be directly associated with the cubic-tetragonal phase transformation and that vacancy-enhanced amorphisation occurs for both cubic and orthorhombic perovskites with compositions in the range x=similar to 0.2-0.67. (c) 2008 American Institute of Physics. C1 [Smith, Katherine L.; Lumpkin, Gregory R.; Blackford, Mark G.; Colella, Michael] Australian Nucl Sci & Technol Org, Inst Mat Engn, Menai, NSW 2234, Australia. [Zaluzec, Nestor J.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Lumpkin, GR (reprint author), Australian Nucl Sci & Technol Org, Inst Mat Engn, PMB 1, Menai, NSW 2234, Australia. EM grl@ansto.gov.au RI Lumpkin, Gregory/A-7558-2008 NR 38 TC 9 Z9 9 U1 2 U2 12 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2008 VL 103 IS 8 AR 083531 DI 10.1063/1.2901183 PG 8 WC Physics, Applied SC Physics GA 295DW UT WOS:000255456200062 ER PT J AU Wright, AF Wixom, RR AF Wright, A. F. Wixom, R. R. TI Density-functional-theory calculations for silicon vacancy migration SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ELECTRONIC-STRUCTURE; DEFECTS; DIFFUSION; DOPANT; APPROXIMATION; COMPENSATION; DEPENDENCE; CRYSTALS; SYSTEMS; ENERGY AB The saddle-point configurations and associated formation energies of a migrating silicon vacancy in the +2, +1, 0, -1, and -2 charge states were computed using density-functional theory with a plane wave basis set, norm-conserving pseudopotentials, and the generalized-gradient approximation for exchange and correlation. Spurious electrostatic and strain contributions arising from use of periodic boundary conditions were removed by performing maximum likelihood fits on results from 215-, 511-, and 999-atom supercells, and thereby obtaining formation energies corresponding to isolated vacancies. Migration enthalpies were computed by subtracting similarly obtained formation energies for vacancies in local-energy minimum configurations. The results (0.27 eV in the +2 charge state, 0.19 eV in the +1 charge state, 0.36 eV in the 0 charge state, 0.04 eV in the -1 charge state, and 0.15 eV in the -2 charge state) are in good overall agreement with experimental results obtained at low temperatures. (c) 2008 American Institute of Physics. C1 [Wright, A. F.; Wixom, R. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Wright, AF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM afwrigh@sandia.gov NR 42 TC 2 Z9 2 U1 1 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2008 VL 103 IS 8 AR 083517 DI 10.1063/1.2906342 PG 5 WC Physics, Applied SC Physics GA 295DW UT WOS:000255456200048 ER PT J AU Zellner, MB McNeil, WV Gray, GT Huerta, DC King, NSP Neal, GE Valentine, SJ Payton, JR Rubin, J Stevens, GD Turley, WD Buttler, WT AF Zellner, M. B. McNeil, W. Vogan Gray, G. T., III Huerta, D. C. King, N. S. P. Neal, G. E. Valentine, S. J. Payton, J. R. Rubin, J. Stevens, G. D. Turley, W. D. Buttler, W. T. TI Surface preparation methods to enhance dynamic surface property measurements of shocked metal surfaces SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID INDUCED POLYMORPHIC TRANSITION; VELOCITY-MEASUREMENT; INTERFEROMETER; TIN; ELLIPSOMETRY; TEMPERATURE; COMPRESSION; WAVE AB This effort investigates surface-preparation methods to enhance dynamic surface-property measurements of shocked metal surfaces. To assess the ability of making reliable and consistent dynamic surface-property measurements, the amount of material ejected from the free surface upon shock release to vacuum (ejecta) was monitored for shocked Al-1100 and Sn targets. Four surface-preparation methods were considered: Fly-cut machine finish, diamond-turned machine finish, polished finish, and ball rolled. The samples were shock loaded by in-contact detonation of HE PBX-9501 on the front side of the metal coupons. Ejecta production at the back side or free side of the metal coupons was monitored using piezoelectric pins, optical shadowgraphy, and x-ray attenuation radiography. (c) 2008 American Institute of Physics. C1 [Zellner, M. B.; King, N. S. P.; Payton, J. R.; Buttler, W. T.] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. [McNeil, W. Vogan] Los Alamos Natl Lab, Hydrodynam Div, Los Alamos, NM 87545 USA. [Gray, G. T., III] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Huerta, D. C.; Rubin, J.] Los Alamos Natl Lab, Plutonium Mfg & Technol Div, Los Alamos, NM 87545 USA. [Neal, G. E.; Valentine, S. J.] Los Alamos Natl Lab, Weapons Component Mfg Div, Los Alamos, NM 87545 USA. [Stevens, G. D.; Turley, W. D.] Special Technol Lab, Santa Barbara, CA 93111 USA. RP Zellner, MB (reprint author), Los Alamos Natl Lab, Div Phys, P-23 MS-H803,POB 1663, Los Alamos, NM 87545 USA. EM mzellner@lanl.gov NR 39 TC 24 Z9 29 U1 1 U2 14 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2008 VL 103 IS 8 AR 083521 DI 10.1063/1.2906107 PG 9 WC Physics, Applied SC Physics GA 295DW UT WOS:000255456200052 ER PT J AU Grafe, M Tappero, RV Marcus, MA Sparks, DL AF Grafe, Markus Tappero, Ryan V. Marcus, Matthew A. Sparks, Donald L. TI Arsenic speciation in multiple metal environments: I. Bulk-XAFS spectroscopy of model and mixed compounds SO JOURNAL OF COLLOID AND INTERFACE SCIENCE LA English DT Article DE copper; zinc; goethite; gibbsite; EXAFS spectroscopy; phase shifts; edge-sharing complexes ID ABSORPTION FINE-STRUCTURE; CHROMATE RETENTION MECHANISMS; INITIO MOLECULAR GEOMETRIES; GOETHITE-WATER INTERFACE; AQUEOUS ZN(II) SORPTION; SURFACE COMPLEXATION; CRYSTAL-STRUCTURE; EXAFS SPECTROSCOPY; IRON-OXIDES; ADSORPTION AB X-ray absorption fine structure (XAFS) spectroscopy was employed to determine the bonding environment of As(V) in the presence of Cu(II) and Zn(II) on goethite and gibbsite. In addition, several mineral species and precipitates derived from homogeneous and heterogeneous (presence of alpha-Cr2O3) super-saturations were studied. Structural parameters were determined after resolving the broad second shells in r-space by differential k-weighting (1, 2 or 3) and k-ranging (2.5- vs 3.5-12.75 angstrom) of the raw EXAFS functions. In precipitates, ASO(4) was incorporated in the metal-hydroxides forming clinoclase-like and koettigite-like structures in the presence of Cu(II) and Zn(II), respectively. In the presence of both Cu(II) and Zn(II), the clinoclase structure formed preferentially over the koettigite structure under homogeneous oversaturated solution conditions and in the presence of eskolaite (alpha-Cr2O3). Silica promoted the formation of koettigite-like zinc-arseriate precipitates from initial As(V) and Zn(II) solution concentrations of 500 mu M. On goethite and gibbsite, 750 mu M As(V) formed mainly bidentate binuclear surface species in accordance with many previous findings even in the presence of equimolar Cu(II) and or Zn(II) concentrations. Copper was readily identified in the second shell environment of As(V) sorbed on gibbsite, but not on goethite. We hypothesize that this complex formed oil the basis of Cu(II)'s ability to form polymeric species in solution and at the mineral-water interface in agreement with previous Studies. The effects of Zn(II) on the coordination environment of As(V) on gibbsite and goethite could not be ascertained with As K-edge EXAFS spectroscopy. In addition to bidentate binuclear surface complexes, As(V) formed edge-sharing complexes with Fe, Al, and Cu atoms, which we could differentiate on the basis of the inter-atomic distances, phase shifts between wavefunctions of Fourier-filtered peaks, and differences in amplitude of the absorption envelopes. The analyses showed that of all data reduction steps, data presented in r-space and as wavefunctions of Fourier-filtered shells offer the greatest possibility for fingerprinting and inferring the influence of co-sorbing metal cations on the As(V) sorption complex. With regards to interpretations of micro-EXAFS data by abstract factor analyses and linear least-square combination fitting, analyses of As K-edge data should not be performed on the raw chi(k) data, but rather on consistently isolated second and higher-order shell features. (C) 2008 Elsevier Inc. All rights reserved. C1 [Grafe, Markus; Tappero, Ryan V.; Sparks, Donald L.] Univ Delaware, Environm Soil Chem Grp, Dept Plant & Soil Sci, Newark, DE 19716 USA. [Marcus, Matthew A.] Lawrence Berkeley Natl Labs, Berkeley, CA 94720 USA. RP Grafe, M (reprint author), Univ Sydney, Fac Agr Food & Nat Resources, Ross St Bldg A03,Room 322, Sydney, NSW 2006, Australia. EM m.grafe@usyd.edu.au NR 52 TC 14 Z9 14 U1 3 U2 33 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9797 J9 J COLLOID INTERF SCI JI J. Colloid Interface Sci. PD APR 15 PY 2008 VL 320 IS 2 BP 383 EP 399 DI 10.1016/j.jcis.2008.01.028 PG 17 WC Chemistry, Physical SC Chemistry GA 279JN UT WOS:000254351600004 PM 18262202 ER PT J AU McFarlane, SA Marchand, RT AF McFarlane, Sally A. Marchand, Roger T. TI Analysis of ice crystal habits derived from MISR and MODIS observations over the ARM Southern Great Plains site SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID IMAGING SPECTRORADIOMETER MODIS; SATELLITE RADIANCE MEASUREMENTS; SCATTERING PHASE FUNCTION; CIRRUS CLOUDS; POLDER MEASUREMENTS; OPTICAL-PROPERTIES; PART II; MODELS; PARAMETERIZATION; INSTRUMENT AB We have developed a look-up table approach for retrieving cloud phase (water or ice) and best-fit ice crystal scattering model from coincident Multiangle Imaging Spectroradiometer (MISR) and Moderate Resolution Imaging Spectroradiometer (MODIS) data. We present statistics of cloud phase and radiatively effective ice crystal habit for 5 years of Terra overpasses of the Atmospheric Radiation Measurement (ARM) Program's Southern Great Plains (SGP) site. This analysis focuses on clouds which have optical depth >2 and are single-layer (or have an optically thick upper layer). For this subset of clouds, 48% were best fit by a liquid droplet scattering model. The rough aggregate scattering model was the most commonly retrieved ice crystal habit (27% of all retrieved clouds; 51% of retrieved ice clouds). The results indicate that the distinction between water and ice clouds is more robust than the distinction between individual ice crystal habits. For ice clouds, the strongest distinctions were found between aggregate-like and plate-like habits. Comparison with MODIS operational cloud property retrievals (MOD06) illustrates the strong dependence of retrieved optical depth and effective radius on habit assumptions. C1 [McFarlane, Sally A.] Pacific NW Natl Lab, Climate Phys Grp, Richland, WA 99352 USA. [Marchand, Roger T.] Univ Washington, Joint Inst Study Atmosphere & Oceans, Seattle, WA 98195 USA. RP McFarlane, SA (reprint author), Pacific NW Natl Lab, Climate Phys Grp, POB 999,MS K9-24, Richland, WA 99352 USA. EM sally.mcfarlane@pnl.gov RI McFarlane, Sally/C-3944-2008 NR 42 TC 12 Z9 12 U1 1 U2 7 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 APR 15 PY 2008 VL 113 IS D7 AR D07209 DI 10.1029/2007JD009191 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 291MU UT WOS:000255202300007 ER PT J AU Hrma, P AF Hrma, Pavel TI Arrhenius model for high-temperature glass-viscosity with a constant pre-exponential factor SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article DE composition; transport properties liquids; glasses; mechanical properties; Modeling and simulation; aluminosilicates; borosilicates; silicates; soda-lime-silica; viscosity and relaxation; viscosity AB A simplified form of the Arrhenius equation, In eta = A + B(x)/T, where eta is the viscosity, T the temperature, x the composition vector, and A and B the Arrhenius coefficients, was fitted to glass-viscosity data for the processing temperature range (the range at which the viscosity is within 1-10(3) Pa s) while setting A = constant and treating B(x) as a linear function of mass fractions of major components. Fitting the Arrhenius equation to over 550 viscosity data of commercial silicate glasses and approximately 1000 viscosity data of glasses for nuclear-waste glasses resulted in the A values of -11. 35 and - 11.48, respectively. The fraction of the variability (R 2) value ranged from 0.92 to 0.99 for commercial glasses and was 0.98 for waste glasses. The Arrhenius models estimate viscosities for melts of commercial glasses containing 42-84 mass% SiO2 within the temperature range of 1100-1550 degrees C and viscosity range of 5-400 Pa s and for waste glasses containing 32-60 mass% SiO2 within the temperature range of 850-1450 degrees C and viscosity range of 0.4-250 Pa s. Published by Elsevier B.V. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Hrma, P (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM pavel.hrma@pnl.gov NR 14 TC 26 Z9 27 U1 2 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD APR 15 PY 2008 VL 354 IS 18 BP 1962 EP 1968 DI 10.1016/j.jnoncrysol.2007.11.016 PG 7 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 295WH UT WOS:000255504300004 ER PT J AU Potter, BG Musgraves, JD Boyle, TJ AF Potter, B. G., Jr. Musgraves, J. D. Boyle, T. J. TI Photo-initiation of intermolecular bonding and oxide deposition in Ti-based alkoxide solutions SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article DE films and coatings; laser-matter interactions; polymers and organics; organic-inorganic hybrids; sol-gels (xerogels) ID TITANIUM ALKOXIDES; FILMS AB Photoexposure of a water-stable, Ti-alkoxide, (OC6H6N)(2)Ti(OC6H2(CH2N(CH3)(2))(3)-2,4,6)(2), dissolved in a water/pyridine solution yielded an insoluble, solid phase, present in the form of suspended particles and a deposited material on the vertical side-wall of the solution container. Raman analysis of these photoproducts confirmed the UV-initiation of hydrolysis and condensation reactions in the alkoxide reagent. The excitation wavelength dependence of the photostructural effects observed provides insight into the mechanisms contributing to these photoinduced phenomena. The results are extended to enable the photopatterned deposition of physical relief structures directly from solution in this system. (c) 2007 Elsevier B.V. All rights reserved. C1 [Potter, B. G., Jr.; Musgraves, J. D.] Univ Arizona, Arizona Mat Lab, Dept Mat Sci & Engn, Tucson, AZ 85712 USA. [Boyle, T. J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Potter, BG (reprint author), Univ Arizona, Arizona Mat Lab, Dept Mat Sci & Engn, Tucson, AZ 85712 USA. EM bgpotter@mse.arizona.edu RI Musgraves, J David/D-9260-2011 OI Musgraves, J David/0000-0003-4575-5119 NR 14 TC 5 Z9 5 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD APR 15 PY 2008 VL 354 IS 18 BP 2017 EP 2022 DI 10.1016/j.jnoncrysol.2007.12.001 PG 6 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 295WH UT WOS:000255504300013 ER PT J AU Suratwala, T Steele, R Feit, MD Wong, L Miller, P Menapace, J Davis, P AF Suratwala, T. Steele, R. Feit, M. D. Wong, L. Miller, P. Menapace, J. Davis, P. TI Effect of rogue particles on the sub-surface damage of fused silica during grinding/polishing SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article DE fracture; indentation; microindentation; optical microscopy; lasers; silica; processing ID VISCOELASTIC HALF-SPACE; INDENTER; SLURRY AB The distribution and characteristics of surface cracks (i.e., sub-surface damage or scratching) on fused silica formed during grinding/polishing resulting from the addition of rogue particles in the base slurry has been investigated. Fused silica samples (10 cm, diameter x I cm thick) were: (1) ground by loose abrasive grinding (alumina particles 9-30 mu m) on a glass lap with the addition of larger alumina particles at various concentrations with mean sizes ranging from 15 to 30 pm, or (2) polished (using 0.5 mu m cerium oxide slurry) on various laps (polyurethane pads or pitch) with the addition of larger rogue particles (diamond (4-45 mu m), pitch, dust, or dried Ceria slurry agglomerates) at various concentrations. For the resulting ground samples, the crack distributions of the as-prepared surfaces were determined using a polished taper technique. The crack depth was observed to: (1) increase at small concentrations (> 10(-4) fraction) of rogue particles; and (2) increase with rogue particle concentration to crack depths consistent with that observed when grinding with particles the size of the rogue particles alone. For the polished samples, which were subsequently etched in HF:NH4F to expose the surface damage, the resulting scratch properties (type, number density, width, and length) were characterized. The number density of scratches increased exponentially with the size of the rogue diamond at a fixed rogue diamond concentration suggesting that larger particles are more likely to lead to scratching. The length of the scratch was found to increase with rogue particle size, increase with lap viscosity, and decrease with applied load. At high diamond concentrations, the type of scratch transitioned from brittle to ductile and the length of the scratches dramatically increased and extended to the edge of the optic. The observed trends can be explained semi-quantitatively in terms of the time needed for a rogue particle to penetrate into a viscoelastic lap. The results of this study provide useful insights and 'rules-of-thumb' relating scratch characteristics observed on surfaces during optical glass fabrication to the characteristics of the rogue particles causing them and their possible source. Published by Elsevier B.V. C1 [Suratwala, T.; Steele, R.; Feit, M. D.; Wong, L.; Miller, P.; Menapace, J.; Davis, P.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Suratwala, T (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM suratwala1@llnl.gov RI Feit, Michael/A-4480-2009; Suratwala, Tayyab/A-9952-2013 OI Suratwala, Tayyab/0000-0001-9086-1039 NR 23 TC 60 Z9 71 U1 6 U2 36 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD APR 15 PY 2008 VL 354 IS 18 BP 2023 EP 2037 DI 10.1016/j.jnoncrysol.2007.11.015 PG 15 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 295WH UT WOS:000255504300014 ER PT J AU Alimov, VK Roth, J Causey, RA Komarov, DA Linsmeier, C Wiltner, A Kost, F Lindig, S AF Alimov, V. Kh. Roth, J. Causey, R. A. Komarov, D. A. Linsmeier, Ch. Wiltner, A. Kost, F. Lindig, S. TI Deuterium retention in tungsten exposed to low-energy, high-flux clean and carbon-seeded deuterium plasmas SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID SINGLE-CRYSTAL TUNGSTEN; MIXED ION-BEAM; NEAR-SURFACE REGION; BLISTER FORMATION; CARBIDE FORMATION; POLYCRYSTALLINE TUNGSTEN; ELEVATED-TEMPERATURES; HYDROGEN RETENTION; LATTICE DAMAGE; LATERAL STRESS AB Depth profiles of deuterium trapped in tungsten exposed to a low-energy (approximate to 200 eV/D) and high deuterium ion flux (about 1 X 10(21) D/m(2)s) in clean (We use the term 'clean' in quotation marks having in mind the impossibility to obtain absolutely clean plasma. In our case the conception 'clean' D plasma means the plasma without intentionally introduced carbon impurities.) and carbon-seeded D plasmas at an ion fluence of about 2 x 10(24) D/m(2) and various temperatures have been measured up to a depth of 7 mu m using the D(He-3 p)(4) He nuclear reaction at a He-3 energy varied from 0.69 to 4.0 MeV. The deuterium retention in single-crystalline and polycrystalline W increases with the exposure temperature, reaching its maximum value at about 500 K (for 'clean' plasma) or about 600 K (for carbon-seeded plasma), and then decreases as the temperature grows further. It is assumed that tungsten carbide formed on the W surface under exposure to the carbon-seeded D plasmas serves as a barrier layer for diffusion and prevents the outward transport of deuterium, thus increasing the D retention in the bulk of tungsten. (c) 2008 Published by Elsevier B.V. C1 [Alimov, V. Kh.; Komarov, D. A.] Russian Acad Sci, Inst Phys Chem & Electrochem, Moscow 119991, Russia. [Roth, J.; Linsmeier, Ch.; Wiltner, A.; Kost, F.; Lindig, S.] EURATOM, Max Planck Inst Plasmaphys, D-85748 Garching, Germany. [Causey, R. A.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Alimov, VK (reprint author), Russian Acad Sci, Inst Phys Chem & Electrochem, Leninsky Prospect 31, Moscow 119991, Russia. EM vkahome@mail.ru RI Linsmeier, Christian/H-7653-2013; Alimov, Vladimir/G-5826-2014 OI Linsmeier, Christian/0000-0003-0404-7191; Alimov, Vladimir/0000-0003-4198-8812 NR 68 TC 54 Z9 54 U1 1 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD APR 15 PY 2008 VL 375 IS 2 BP 192 EP 201 DI 10.1016/j.jnucmat.2008.01.008 PG 10 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 300CJ UT WOS:000255801600005 ER PT J AU Kang, MS Ahn, KS Lee, JW Kang, YS AF Kang, Moon-Sung Ahn, Kwang-Soon Lee, Ji-Won Kang, Yong Soo TI Dye-sensitized solar cells employing non-volatile electrolytes based on oligomer solvent SO JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY LA English DT Article DE dye-sensitized solar cells; non-volatile solvent; ion transport; electron transport ID POLYMER ELECTROLYTES; GEL ELECTROLYTE; SILICA NANOPARTICLES; COMPOSITE; PRECURSORS; STABILITY; SYSTEMS AB The performance optimization of dye-sensitized solar cells (DSCs) employing non-volatile liquid electrolytes has been reported. Low molecular weight poly(ethylene glycol) dimethyl ether (oligo-PEGDME) was utilized as non-volatile solvent for the electrolytes. The ion transport properties of electrolytes and the influences of cations on the electron transport through photoanode have been systematically investigated. The results show that the overall efficiency of DSCs is mainly dominated by both the anion conductivity in electrolyte and the electron diffusion length in photoanode. From the analyses, the optimal composition of the non-volatile solvent-based electrolyte was successfully determined for high photon-to-electricity conversion efficiency. (C) 2007 Elsevier B.V. All rights reserved. C1 [Kang, Moon-Sung; Lee, Ji-Won] Samsung Adv Inst Technol, Energy & Environm Lab, Yongin 446712, Gyeonggi Do, South Korea. [Ahn, Kwang-Soon] Natl Renewable Energy Lab, Natl Ctr Photovolat, Golden, CO 80401 USA. [Kang, Yong Soo] Hanyang Univ, Dept Chem Engn, Seoul 133791, South Korea. RP Kang, MS (reprint author), Samsung Adv Inst Technol, Energy & Environm Lab, 14-1 Nongseo Dong, Yongin 446712, Gyeonggi Do, South Korea. EM dyecells@paran.com NR 26 TC 30 Z9 30 U1 0 U2 5 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 1010-6030 J9 J PHOTOCH PHOTOBIO A JI J. Photochem. Photobiol. A-Chem. PD APR 15 PY 2008 VL 195 IS 2-3 BP 198 EP 204 DI 10.1016/j.jphotochem.2007.10.003 PG 7 WC Chemistry, Physical SC Chemistry GA 285FY UT WOS:000254763900007 ER PT J AU Kim, HB Park, BC Myung, ST Amine, K Prakash, J Sun, YK AF Kim, H. -B. Park, B. -C. Myung, S. -T. Amine, K. Prakash, Jai Sun, Y. -K. TI Electrochemical and thermal characterization of AlF3-coated Li[Ni0.8Co0.15Al0.05]O-2 cathode in lithium-ion cells SO JOURNAL OF POWER SOURCES LA English DT Article DE Li[Ni0.8Co0.15Al0.05]O-2; aluminum fluoride; coating; cathode; lithium battery; capacity retention ID SECONDARY BATTERIES; IMPROVEMENT; BEHAVIOR; LICOO2 AB Li[Ni0.8Co0.15Al0.05]O-2 particles are modified with A1F(3) as a new coating material. Even though the initial discharge capacity of the coated Li[Ni0.8Co0.15Al0.05]O-2 is almost the same as that of the pristine material, the capacity retention and the thermal stability, in a highly oxidized state are both significantly improved. This effect is attributed to the thin A1F(3) coating layer protecting the oxidized cathode particles from attack by hydrogen fluoride in the electrolyte. (C) 2008 Elsevier B.V. All rights reserved. C1 [Kim, H. -B.; Park, B. -C.; Sun, Y. -K.] Hanyang Univ, Ctr Informat & Commun Mat, Dept Chem Engn, Seoul 133791, South Korea. [Myung, S. -T.] Iwate Univ, Dept Chem Engn, Morioka, Iwate 0208551, Japan. [Amine, K.] Argonne Natl Lab, Div Chem Engn, Electrochem Technol Program, Argonne, IL 60439 USA. [Prakash, Jai] IIT, Dept Environm Chem & Engn, Chicago, IL 60616 USA. RP Sun, YK (reprint author), Hanyang Univ, Ctr Informat & Commun Mat, Dept Chem Engn, Seoul 133791, South Korea. EM yksun@hanyang.ac.kr RI Sun, Yang-Kook/B-9157-2013; Amine, Khalil/K-9344-2013 OI Sun, Yang-Kook/0000-0002-0117-0170; NR 16 TC 55 Z9 59 U1 9 U2 75 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD APR 15 PY 2008 VL 179 IS 1 BP 347 EP 350 DI 10.1016/j.jpowsour.2007.12.109 PG 4 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 285HL UT WOS:000254767800044 ER PT J AU Liu, HQ Bachand, GD Kim, H Hayden, CC Abate, EA Sasaki, DY AF Liu, Haiqino Bachand, George D. Kim, Hahkjoon Hayden, Carl C. Abate, Elisa A. Sasaki, Darryl Y. TI Lipid nanotube formation from streptavidin-membrane binding SO LANGMUIR LA English DT Article ID HELICAL CRYSTALLIZATION; ENDOPLASMIC-RETICULUM; BENDING RIGIDITY; BILAYER VESICLES; MODEL MEMBRANES; CURVATURE; ORGANIZATION; MOLECULES; TRANSPORT; PROTEINS AB A novel transformation of giant lipid vesicles to produce nanotubular structures was observed upon the binding of streptavidin to biotinylated membranes. Unlike membrane budding and tubulation processes caused by proteins involved with endocytosis and vesicle fusion, streptavidin is known to crystallize at near the isoelectric point (pI 5 to 6) into planar sheets against biotinylated films. We have found, however, that at neutral pH membranes of low bending rigidity (< 10kT), such as 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocho line (POPC), spontaneously produce tubular structures with widths ranging from micrometers to below the diffraction limit (<250 nm) and lengths spanning up to hundreds of micrometers. The nanotubes were typically held taut between surface-bound vesicles suggesting high membrane tension, yet the lipid nanotubes exhibited a fluidic nature that enabled the transport of entrained vesicles. Confocal microscopy confirmed the uniform coating of streptavidin over the vesicles and nanotubes. Giant vesicles composed of lipid membranes of higher bending energy exhibited only aggregation in the presence of streptavidin. Routes toward the development of these highly curved membrane structures are discussed in terms of general protein-membrane interactions. C1 [Liu, Haiqino; Bachand, George D.; Abate, Elisa A.; Sasaki, Darryl Y.] Sandia Natl Labs, Biomol Interfaces & Syst Dept, Albuquerque, NM 87185 USA. [Kim, Hahkjoon; Hayden, Carl C.] Sandia Natl Labs, Combust Chem Dept, Livermore, CA 94551 USA. RP Sasaki, DY (reprint author), Sandia Natl Labs, Biomol Interfaces & Syst Dept, POB 5800, Albuquerque, NM 87185 USA. EM dysasak@sandia.gov OI Bachand, George/0000-0002-3169-9980 NR 33 TC 7 Z9 7 U1 0 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 15 PY 2008 VL 24 IS 8 BP 3686 EP 3689 DI 10.1021/la704018s PG 4 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 283PB UT WOS:000254647400002 PM 18336048 ER PT J AU Nye, JA Groves, JT AF Nye, Jeffrey A. Groves, Jay T. TI Kinetic control of histidine-tagged protein surface density on supported lipid bilayers SO LANGMUIR LA English DT Article ID METAL CHELATE ADSORBENT; T-CELL-ACTIVATION; IMMUNOLOGICAL SYNAPSE; RECOMBINANT PROTEINS; MEMBRANES; RECEPTOR; PEPTIDES; BINDING AB Nickel-chelating lipids are general tools for anchoring polyhistidine-tagged proteins to supported lipid bilayers (SLBs), but controversy exists over the stability of the protein-lipid attachment. Here, we show that chelator lipids are suitable anchors for building stable, biologically active surfaces but that a simple Langmuirian model is insufficient to describe their behavior. Desorption kinetics from chelator lipids are governed by the valency of surface binding: monovalently bound proteins desorb within minutes (t(1/2)approximate to 6 min), whereas polyvalently bound species remain bound for hours (t(1/2)approximate to 12 h). Evolution between surface states is slow, so equilibrium is unlikely to be reached on experimental timescales. However, by tuning incubation conditions, the populations of each species can be kinetically controlled, providing a wide range of protein densities on SLl3s with a single concentration of chelator lipid. We propose guidelines for the assembly of SLB surfaces functionalized with specific protein densities and demonstrate their utility in the formation of hybrid immunological synapses. C1 [Groves, Jay T.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Nye, Jeffrey A.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Groves, Jay T.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Groves, Jay T.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Groves, JT (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM jtgroves@lbl.gov FU NCRR NIH HHS [P41 RR 01081] NR 27 TC 54 Z9 54 U1 1 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 15 PY 2008 VL 24 IS 8 BP 4145 EP 4149 DI 10.1021/la703788h PG 5 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 283PB UT WOS:000254647400064 PM 18303929 ER PT J AU Kim, JY Choi, SB Kim, DW Lee, S Jung, HS Lee, JK Hong, KS AF Kim, Jin Young Choi, Sung Bum Kim, Dong Wook Lee, Sangwook Jung, Hyun Suk Lee, Jung-Kun Hong, Kug Sun TI Surfactant-assisted shape evolution of thermally synthesized TiO2 nanocrystals and their applications to efficient photoelectrodes SO LANGMUIR LA English DT Article ID SENSITIZED SOLAR-CELLS; NANOPARTICLES; NANORODS; SIZE; SEMICONDUCTOR; ELIMINATION; NANOTUBES; FILMS AB TiO2 nanocrystals were synthesized via a two-phase thermal process, and the shape of the nanocrystals was controlled from nanospheres to nanorods by the ratio of two surfactants. The shape control of nanocrystals was ascribed to the selective adsorption of the two surfactants. The shape of TiO2 nanocrystals influenced the photocatalytic performances of the photoelectrodes through two compromising factors: the relative surface area and the electron transport. The photoelectrode composed of nanorods showed a slower charge recombination rate, while it showed a smaller specific surface area, compared to nanospheres. As a result, the photoelectrodes showed the optimal photocatalytic performance When the nanospheres and the nanorods were mixed. C1 [Kim, Jin Young] Natl Renewable Energy Lab, Chem & Biosci Ctr, Golden, CO 80401 USA. [Choi, Sung Bum; Kim, Dong Wook; Lee, Sangwook; Hong, Kug Sun] Seoul Natl Univ, Dept Mat Sci & Engn, Seoul 151744, 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 15261 USA. RP Kim, JY (reprint author), Natl Renewable Energy Lab, Chem & Biosci Ctr, Golden, CO 80401 USA. EM JinYoung_Kim@nrel.gov; kshongss@plaza.snu.ac.kr RI Jung, Hyun Suk/D-4745-2011; Kim, Jin Young/B-7077-2012; Lee, Sangwook/O-9166-2015; Jung, Hyun Suk/H-3659-2015 OI Kim, Jin Young/0000-0001-7728-3182; Lee, Sangwook/0000-0002-3535-0241; NR 24 TC 15 Z9 15 U1 1 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 15 PY 2008 VL 24 IS 8 BP 4316 EP 4319 DI 10.1021/la703497e PG 4 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 283PB UT WOS:000254647400090 PM 18324858 ER PT J AU Kim, MI Kim, J Lee, J Shin, S Na, HB Hyeon, T Park, HG Chang, HN AF Kim, Moon Il Kim, Jungbae Lee, Jinwoo Shin, Sujeong Na, Hyon Bin Hyeon, Taeghwan Park, Hyun Gyu Chang, Ho Nam TI One-dimensional crosslinked enzyme aggregates in SBA-15: Superior catalytic behavior to conventional enzyme immobilization SO MICROPOROUS AND MESOPOROUS MATERIALS LA English DT Article DE CLEAs (crosslinked enzyme aggregates); SBA-15; alpha-Chymotrypsin; Mucor javanicus lipase; enzyme immobilization ID ORDERED MESOPOROUS SILICA; STABILIZATION; NANOPARTICLES; BIOCATALYSIS; NANOFIBERS; STABILITY; LIPASE AB alpha-Chymotrypsin (CT) and lipase (LP) were immobilized in SBA-15 mesoporous silica by crosslinking adsorbed enzymes. This simple approach resulted in one-dimensional crosslinked enzyme aggregates (CLEAs) in the linear pore channels of SBA-15, which was very effective in preventing the enzyme leaching and consequently improving the enzyme stability. Both CLEAs of CT and LP showed negligible activity decrease under harsh shaking condition for one week while the conventional approaches including adsorption and covalent attachment resulted in more than 50-90% enzyme inactivation under the same condition. This effective stabilization results from the bent pore structure of SBA-15 with a high aspect ratio, which prevents the leaching of one-dimensional CLEAs and thereby achieves the higher enzyme loading capacity. Along with the higher specific activity than that of adsorbed enzymes, this CLEA approach is much simpler than that of covalent attachment by obviating the tedious processes for silica functionalization and enzyme attachment. (C) 2007 Elsevier Inc. All rights reserved. C1 [Kim, Jungbae] Pacific NW Natl Lab, Richland, WA 99352 USA. [Kim, Moon Il; Shin, Sujeong; Park, Hyun Gyu; Chang, Ho Nam] Korea Adv Inst Sci & Technol, Dept Chem & Biomol Engn, Taejon 305701, South Korea. [Lee, Jinwoo; Na, Hyon Bin; Hyeon, Taeghwan] Seoul Natl Univ, Natl Creat Res Initiat Ctr Oxide Nanocrystalline, Seoul 151744, South Korea. [Lee, Jinwoo; Na, Hyon Bin; Hyeon, Taeghwan] Seoul Natl Univ, Sch Chem Engn, Seoul 151744, South Korea. RP Kim, J (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM Jungbae.Kim@pnl.gov; hgpark@kaist.ae.kr RI PARK, HYUN GYU/C-1597-2011; Chang, HN/B-9351-2011; Hyeon, Taeghwan/J-5315-2012; Lee, Jinwoo/G-3330-2016; Lee, Junyoung/D-5463-2012; OI Lee, Jinwoo/0000-0001-6347-0446; Lee, Junyoung/0000-0001-6689-2759; Kim, Moon Il/0000-0003-1844-0939; Na, Hyon Bin/0000-0001-5574-9957 NR 25 TC 48 Z9 50 U1 1 U2 28 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-1811 EI 1873-3093 J9 MICROPOR MESOPOR MAT JI Microporous Mesoporous Mat. PD APR 15 PY 2008 VL 111 IS 1-3 BP 18 EP 23 DI 10.1016/j.micromeso.2007.07.009 PG 6 WC Chemistry, Applied; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 300TC UT WOS:000255847100005 ER PT J AU Li, XS Fryxell, GE Wang, C Engelhard, MH AF Li, Xiaohong S. Fryxell, Glen E. Wang, Chongmin Engelhard, Mark H. TI The synthesis of Ag-doped mesoporous TiO2 SO MICROPOROUS AND MESOPOROUS MATERIALS LA English DT Article DE mesoporous; nanoporous; TiO2; anatase; silver; doping; synthesis; sol-gel; surfactant; photocatalyst ID HETEROGENEOUS PHOTOCATALYSIS; SOLAR-CELLS; OXIDATION; KINETICS; TITANIA; BASES; FILMS; WATER; ACIDS AB Ag-doped mesoporous titanium oxide was prepared using non-ionic surfactants and easily handled titanium precursors, under mild reaction conditions. The structure of these materials was determined as a function of the concentration of the Ag dopant and calcination temperature. In contrast to the stabilizing effect of Cd-doping on mesoporous TiO2, Ag doping was found to significantly destabilize the mesoporous structure. (C) 2007 Elsevier Inc. All rights reserved. C1 [Li, Xiaohong S.; Fryxell, Glen E.; Wang, Chongmin; Engelhard, Mark H.] Inst Interfacial Catalysis, Pacific NW Natl Lab, Richland, WA 99352 USA. RP Fryxell, GE (reprint author), Inst Interfacial Catalysis, Pacific NW Natl Lab, Richland, WA 99352 USA. EM glen.fryxell@pnl.gov RI Engelhard, Mark/F-1317-2010; OI Engelhard, Mark/0000-0002-5543-0812 NR 24 TC 20 Z9 22 U1 2 U2 20 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-1811 J9 MICROPOR MESOPOR MAT JI Microporous Mesoporous Mat. PD APR 15 PY 2008 VL 111 IS 1-3 BP 639 EP 642 DI 10.1016/j.micromeso.2007.07.042 PG 4 WC Chemistry, Applied; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 300TC UT WOS:000255847100082 ER PT J AU Trejda, M Tuel, A Kujawa, J Kilos, B Ziolek, M AF Trejda, M. Tuel, A. Kujawa, J. Kilos, B. Ziolek, M. TI Niobium rich SBA-15 materials - preparation, characterisation and catalytic activity SO MICROPOROUS AND MESOPOROUS MATERIALS LA English DT Article DE NbSBA-15; niobium species; methanol oxidation; methanol sulphurisation; cyclohexene oxidation; pyridine adsorption ID LIQUID-PHASE OXIDATION; HYDROGEN-SULFIDE; METHANOL OXIDATION; GAS; ZEOLITES; ALCOHOLS; METAL; NB AB Hexagonally ordered mesoporous niobiosilicates of SBA-15 type were synthesised by a new synthesis route in which the use of hydrochloric acid was avoided. This route allowed the incorporation of much higher amounts of niobium into the mesoporous network (Si/Nb between 15 and 5) as compared to the conventional method of preparation. The location of niobium was determined by UV-Vis and XRD techniques. The latter combined with N-2 adsorption measurements allowed the estimation of texture/structure parameters. The high niobium content in the NbSBA-15 had a significant impact on the sulphurisation of methanol leading to the formation of organic sulphur compounds. It is well correlated with the acidity of the materials measured by pyridine adsorption followed by FTIR studies. Such a relationship was not observed for oxidation of methanol and epoxidation of cyclohexene showing that the redox properties are not linear related to the amount of mobium if Si/Nb is equal or below 15 (as applied in this work). (C) 2007 Elsevier Inc. All rights reserved. C1 [Trejda, M.; Kujawa, J.; Ziolek, M.] Adam Mickiewicz Univ Poznan, Fac Chem, PL-60780 Poznan, Poland. [Tuel, A.] Inst Rech Catalyse, CNRS, F-69626 Villeurbanne, France. [Kilos, B.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Kilos, B.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Ziolek, M (reprint author), Adam Mickiewicz Univ Poznan, Fac Chem, Grunwaldzka 6, PL-60780 Poznan, Poland. EM ziolek@amu.edu.pl RI TUEL, Alain/E-7176-2017 NR 20 TC 42 Z9 45 U1 3 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-1811 J9 MICROPOR MESOPOR MAT JI Microporous Mesoporous Mat. PD APR 15 PY 2008 VL 110 IS 2-3 BP 271 EP 278 DI 10.1016/j.micromeso.2007.06.015 PG 8 WC Chemistry, Applied; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 284EM UT WOS:000254689200010 ER PT J AU Anderson, LM Yang, H AF Anderson, L. Meadow Yang, Haw TI DNA looping can enhance lysogenic CI transcription in phage lambda SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE bacteriophage lambda; gene regulation; flow cytometry ID CARBOXY-TERMINAL DOMAIN; COLI RNA-POLYMERASE; BACTERIOPHAGE-LAMBDA; GENE-REGULATION; ESCHERICHIA-COLI; PROPHAGE-LAMBDA; RIGHT OPERATOR; P-RM; REPRESSOR; PROMOTER AB The lysogenic state of bacteriophage lambda is maintained by CI repressor, which negatively regulates two promoters to block lytic gene expression. Expression of CI is itself controlled by positive and negative feedback as CI binds to OR to regulate the P-RM promoter. In addition to direct interactions with operator DNA, CI tetramers bound at O-L and O-R can come together to form an octamer, looping the DNA that lies between them and allowing O-L to assist with negative regulation of P-RM. We used a fluorescent reporter protein to measure the CI concentration for a set of constructs that differ in their ability to assume various forms of the looped structure. Based on the observed steady-state fluorescence for these constructs, the presence of O-L increases P-RM activation unless both operators can be fully occupied. By calculating the probabilities for the underlying operator configurations present in each construct, two different models for the mechanism of enhanced activation allow us to predict that when the DNA is looped, P-RM activation can be 2- to 4-fold higher than is possible for unlooped DNA. Based on our results, transcriptional regulation for lambda's lysogenic/lytic switch includes both activation and repression due to DNA looping. C1 [Anderson, L. Meadow; Yang, Haw] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Anderson, L. Meadow; Yang, Haw] Lawrence Berkeley Natl 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 NR 37 TC 37 Z9 37 U1 0 U2 3 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD APR 15 PY 2008 VL 105 IS 15 BP 5827 EP 5832 DI 10.1073/pnas.0705570105 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 291ZX UT WOS:000255237200033 PM 18391225 ER PT J AU Volkow, ND Ma, Y Zhu, W Fowler, JS Li, J Rao, M Mueller, K Pradhan, K Wong, C Wang, GJ AF Volkow, Nora D. Ma, Yerning Zhu, Wei Fowler, Joanna S. Li, Juan Rao, Manlong Mueller, Klaus Pradhan, Kith Wong, Christopher Wang, Gene-Jack TI Moderate doses of alcohol disrupt the functional organization of the human brain SO PSYCHIATRY RESEARCH-NEUROIMAGING LA English DT Article DE imaging; PET; heterogeneity; addiction; coefficient of variation ID CEREBRAL BLOOD-FLOW; ETHANOL; INTOXICATION; METABOLISM; GLUCOSE; STIMULATION; ACTIVATION; CORTEX; REWARD; EEG AB Acute alcohol administration decreases overall brain glucose metabolism, which serves as a marker of brain activity. The behavioral effects of alcohol, however, are likely to reflect not only changes in regional brain activity but also the patterns of brain functional organization. Here we assessed the effects of a moderate dose of alcohol on the patterns of brain activity and cerebral differentiation. We measured brain glucose metabolism in 20 healthy controls with positron emission tomography and fluorodeoxyglucose during baseline and during alcohol intoxication (0.75 g/kg). We used the coefficient of variation (CV) to assess changes in brain metabolic homogeneity, which we used as a marker for cerebral differentiation. We found that alcohol decreased the CV in the brain and this effect was independent of the decrements in overall glucose metabolism. Our study revealed marked disruption in brain activity during alcohol intoxication including decreases in global and regional brain differentiation, a loss of right versus left brain metabolic laterality and a shift in the predominance of activity from cortical to limbic brain regions. The widespread nature of the changes induced by a moderate dose of alcohol is likely to contribute to the marked disruption of alcohol on behavior, mood, cognition and motor activity. (C) 2007 Elsevier Ireland Ltd. All rights reserved. C1 [Zhu, Wei; Li, Juan; Rao, Manlong] SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA. [Volkow, Nora D.] Natl Inst Drug Abuse, Rockville, MD 20852 USA. [Volkow, Nora D.; Ma, Yerning] NIAAA, Bethesda, MD 20892 USA. [Fowler, Joanna S.; Wong, Christopher] Assoc Univ Inc, Brookhaven Natl Lab, Med & Chem Dept, Upton, NY 11973 USA. [Mueller, Klaus; Pradhan, Kith] SUNY Stony Brook, Dept Comp Sci, Stony Brook, NY 11794 USA. RP Zhu, W (reprint author), SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA. EM zhu@ams.sunysb.edu FU Intramural NIH HHS [Z01 AA000550-04]; NCRR NIH HHS [3 M01 RR010710-06S1, M01 RR010710]; NIA NIH HHS [2 P30 AG08051-11, P30 AG008051]; NIAAA NIH HHS [AA09481, R01 AA009481, R01 AA009481-14]; NIDA NIH HHS [R01 DA006891, R01 DA006891-14] NR 22 TC 25 Z9 25 U1 0 U2 8 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0925-4927 J9 PSYCHIAT RES-NEUROIM JI Psychiatry Res. Neuroimaging PD APR 15 PY 2008 VL 162 IS 3 BP 205 EP 213 DI 10.1016/j.pscychresns.2007.04.010 PG 9 WC Clinical Neurology; Neuroimaging; Psychiatry SC Neurosciences & Neurology; Psychiatry GA 290KQ UT WOS:000255122100003 PM 18280711 ER PT J AU Pan, M Wood, EF Wojcik, R McCabe, MF AF Pan, Ming Wood, Eric F. Wojcik, Rafal McCabe, Matthew F. TI Estimation of regional terrestrial water cycle using multi-sensor remote sensing observations and data assimilation SO REMOTE SENSING OF ENVIRONMENT LA English DT Article DE data assimilation; remote sensing; particle filter; ensemble Kalman filter; copula; TRMM; MODIS; LSMEM; SEBS ID ENSEMBLE KALMAN FILTER; HYDROLOGIC DATA ASSIMILATION; SOUTHERN GREAT-PLAINS; LAND-SURFACE; SOIL-MOISTURE; SYSTEM NLDAS; HEAT-FLUX; MODEL; PRECIPITATION; BUDGET AB An integrated data assimilation system is implemented over the Red-Arkansas river basin to estimate the regional scale terrestrial water cycle driven by multiple satellite remote sensing data. These satellite products include the Tropical Rainfall Measurement Mission (TRMM), TRMM Microwave Imager (TMI), and Moderate Resolution Imaging Spectroradiometer (MODIS). Also, a number of previously developed assimilation techniques, including the ensemble Kalman filter (EnKF), the particle filter (PF), the water balance constrainer, and the copula error model, and as well as physically based models, including the Variable Infiltration Capacity (VIC), the Land Surface Microwave Emission Model (LSMEM), and the Surface Energy Balance System (SEBS), are tested in the water budget estimation experiments. This remote sensing based water budget estimation study is evaluated using ground observations driven model simulations. It is found that the land surface model driven by the bias-corrected TRMM rainfall produces reasonable water cycle states and fluxes, and the estimates are moderately improved by assimilating TMI 10.67 GHz microwave brightness temperature measurements that provides information on the surface soil moisture state, while it remains challenging to improve the results by assimilating evapotranspiration estimated from satellite-based measurements. (C) 2007 Elsevier Inc. All rights reserved. C1 [Pan, Ming; Wood, Eric F.; Wojcik, Rafal] Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA. [McCabe, Matthew F.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Pan, M (reprint author), Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA. EM mpan@princeton.edu RI Pan, Ming/B-6841-2011; McCabe, Matthew/G-5194-2011 OI Pan, Ming/0000-0003-3350-8719; McCabe, Matthew/0000-0002-1279-5272 NR 43 TC 65 Z9 73 U1 6 U2 42 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0034-4257 J9 REMOTE SENS ENVIRON JI Remote Sens. Environ. PD APR 15 PY 2008 VL 112 IS 4 BP 1282 EP 1294 DI 10.1016/j.rse.2007.02.039 PG 13 WC Environmental Sciences; Remote Sensing; Imaging Science & Photographic Technology SC Environmental Sciences & Ecology; Remote Sensing; Imaging Science & Photographic Technology GA 288BP UT WOS:000254961500004 ER PT J AU Sego, LH Woodall, WH Reynolds, MR AF Sego, Landon H. Woodall, William H. Reynolds, Marion R., Jr. TI A comparison of surveillance methods for small incidence rates SO STATISTICS IN MEDICINE LA English DT Article DE monitoring; sets; CUSCORE; CUSUM; steady state; control chart ID CONTROL CHARTS; CONGENITAL-MALFORMATIONS; STATISTICAL SURVEILLANCE; SETS TECHNIQUE; RARE EVENT; SAMPLING INSPECTION; MONITORING-SYSTEM; MEDICAL OUTCOMES; PUBLIC-HEALTH; CUSUM CHART AB A number of methods have been proposed for detecting an increase in the incidence rate of a rare health event, such as a congenital malformation. Among these are the sets method, two modifications of the sets method, and the CUSUM method based on the Poisson distribution. We consider the situation where data are observed as a sequence of Bernoulli trials and propose the Bernoulli CUSUM chart as a desirable method for the surveillance of rare health events. We compared the performance of the sets method and its modifications with that of the Bernoulli CUSUM chart under a wide variety of circumstances. Chart design parameters were chosen to satisfy a minimax criteria. We used the steady-state average run length to measure chart performance instead of the average run length (ARL), which was used in nearly all previous comparisons involving the sets method or its modifications. Except in a very few instances, we found that the Bernoulli CUSUM chart has better steady-state ARL performance than the sets method and its modifications for the extensive number of cases considered. Thus, we recommend the use of the Bernoulli CUSUM chart to monitor small incidence rates and provide practical advice for its implementation. Copyright (c) 2007 John Wiley & Sons, Ltd. C1 [Sego, Landon H.] Pacific NW Natl Lab, Stat Sci Grp, Richland, WA USA. [Woodall, William H.; Reynolds, Marion R., Jr.] Virginia Polytech Inst & State Univ, Dept Stat, Blacksburg, VA 24061 USA. RP Sego, LH (reprint author), POB 999,MSIN K6-08, Richland, WA 99352 USA. EM landon.sego@pnl.gov RI Woodall, William/A-8094-2009 NR 55 TC 30 Z9 30 U1 1 U2 1 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0277-6715 J9 STAT MED JI Stat. Med. PD APR 15 PY 2008 VL 27 IS 8 BP 1225 EP 1247 DI 10.1002/sim.3019 PG 23 WC Mathematical & Computational Biology; Public, Environmental & Occupational Health; Medical Informatics; Medicine, Research & Experimental; Statistics & Probability SC Mathematical & Computational Biology; Public, Environmental & Occupational Health; Medical Informatics; Research & Experimental Medicine; Mathematics GA 291QA UT WOS:000255210700005 PM 17879266 ER PT J AU Zehr, RT Henderson, MA AF Zehr, R. T. Henderson, M. A. TI Influence of O-2-induced surface roughening on the chemistry of water on TiO2 (110) SO SURFACE SCIENCE LA English DT Article DE thermal desorption spectroscopy; surface chemical reaction; titanium oxide; water; surface defects ID SCANNING-TUNNELING-MICROSCOPY; TIO2(110) SURFACE; OXYGEN; DISSOCIATION; MORPHOLOGY; DIFFUSION; VACANCIES; TITANIUM; BULK; H2O AB The impact of oxygen induced regrowth of TiO2 on the reduced rutile TiO2 (110) surface has been studied using temperature programmed desorption (TPD) of adsorbed water multilayers. Pre-exposure of UHV annealed TiO2 (110) surfaces to O-2 at temperatures from 300 to 850 K induced changes in subsequent water TPDs that were interpreted in terms of the rougher surface morphologies resulting from the regrowth process. Water TPD from TiO2 (010) previously oxidized at 300 K exhibited a new peak at similar to 312 K due to reaction of water with O adatoms. These O adatoms were produced by dissociative adsorption of O-2 at O-vacancy sites. Additionally, oxygen reacted (slowly) with surface Ti2O3 strands at RT. Water TPD from surfaces pre-oxidized at higher temperatures (>= 500 K) exhibited features reflective of desorption from rough surfaces, namely loss of peak resolution and eventual merger of the second layer and ice peaks, formation of a high temperature tail on the second layer peak, and broadening of the first layer TPD peak. The multiplicity of kinetically different adsorption sites on the roughened TiO2 (010) surfaces contributed to the widening of the desorption features. Published by Elsevier B.V. C1 [Zehr, R. T.; Henderson, M. A.] Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. RP Henderson, MA (reprint author), Pacific NW Natl Lab, Inst Interfacial Catalysis, POB 999,MS K8-87, Richland, WA 99352 USA. EM ma.henderson@pnl.gov NR 22 TC 28 Z9 28 U1 0 U2 27 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD APR 15 PY 2008 VL 602 IS 8 BP 1507 EP 1516 DI 10.1016/j.susc.2008.02.031 PG 10 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 298CI UT WOS:000255663600002 ER PT J AU Dietz, ML Stepinski, DC AF Dietz, Mark L. Stepinski, Dominique C. TI Anion concentration-dependent partitioning mechanism in the extraction of uranium into room-temperature ionic liquids SO TALANTA LA English DT Article DE uranium; extraction; tri-n-butyl phosphate; ionic liquids ID SOLVENT-EXTRACTION; METAL-IONS; CROWN-ETHERS; LIQUID/LIQUID EXTRACTION; FACILITATED TRANSFER; SELECTIVE TRANSPORT; ORGANIC-COMPOUNDS; AMINO-ACIDS; MEDIA; CHROMATOGRAPHY AB The mode of partitioning of uranyl ion between nitrate-containing aqueous phases and various N,N'-dialkylimidazolium-based room-temperature ionic liquids (RTILs) in the presence of tri-n-butyl phosphate (TBP) is shown to change from an ion-exchange process to one involving extraction of a neutral uranyl-TBP-nitrato complex as the aqueous nitrate concentration is increased. Increasing the hydrophobicity of the RTIL cation eventually leads to nitrato complex extraction as the predominant mode of partitioning, regardless of nitrate concentration. Published by Elsevier B.V. C1 [Dietz, Mark L.; Stepinski, Dominique C.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Dietz, ML (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mdietz@anl.gov NR 59 TC 133 Z9 136 U1 3 U2 52 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-9140 J9 TALANTA JI Talanta PD APR 15 PY 2008 VL 75 IS 2 BP 598 EP 603 DI 10.1016/j.talanta.2007.11.051 PG 6 WC Chemistry, Analytical SC Chemistry GA 292MQ UT WOS:000255270700041 PM 18371927 ER PT J AU Corley, RA Wilson, DM Hard, GC Stebbins, KE Bartels, MJ Soelberg, JJ Dryzga, MD Gingell, R McMartin, KE Snellings, WM AF Corley, R. A. Wilson, D. M. Hard, G. C. Stebbins, K. E. Bartels, M. J. Soelberg, J. J. Dryzga, M. D. Gingell, R. McMartin, K. E. Snellings, W. M. TI Dosimetry considerations in the enhanced sensitivity of male Wistar rats to chronic ethylene glycol-induced nephrotoxicity SO TOXICOLOGY AND APPLIED PHARMACOLOGY LA English DT Article DE ethylene glycol; oxalic acid; renal clearance; chronic toxicity; nephrotoxicity ID CALCIUM-OXALATE; DEVELOPMENTAL TOXICITY; PARA-AMINOHIPPURATE; RENAL TRANSPORT; URINARY OXALATE; ACID; CLEARANCE; TEMPERATURE; METABOLITES; MECHANISM AB Male Wistar rats have been shown to be the most sensitive sex, strain and species to ethylene glycol-induced nephrotoxicity in subchronic studies. A chronic toxicity and dosimetry study was therefore conducted in male Wistar rats administered ethylene glycol via the diet at 0, 50, 150, 300, or 400 mg/kg/day for up to twelve months. Subgroups of animals were included for metabolite analysis and renal clearance studies to provide a quantitative basis for extrapolating dose-response relationships from this sensitive animal model in human health risk assessments. Mortality occurred in 5 of 20 rats at 300 mg/kg/day (days 111-221) and 4 of 20 rats at 400 mg/kg/day (days 43-193), with remaining rats at this dose euthanized early (day 203) due to excessive weight loss. Increased water consumption and urine volume with decreased specific gravity occurred at 300 mg/kg/day presumably due to osmotic diuresis. Calculi (calcium oxalate crystals) occurred in the bladder or renal pelvis at >= 300 mg/kg/ day. Rats dying early at >= 300 mg/kg/day had transitional cell hyperplasia with inflammation and hemorrhage of the bladder wall. Crystal nephropathy (basophilic foci, tubule or pelvic dilatation, birefringent crystals in the pelvic fornix, or transitional cell hyperplasia) affected most rats at 300 mg/kg/day, all at 400 mg/kg/day, but none at :5 150 mg/kg/day. No significant differences in kidney oxalate levels, the metabolite responsible for renal toxicity, were observed among control, 50 and 150 mg/kg/day groups. At 300 and 400 mg/kg/day, oxalate levels increased proportionally with the nephrotoxicity score supporting the oxalate crystal-induced nephrotoxicity mode of action. No treatment-related effects on the renal clearance of intravenously infused 3 H-inulin, a marker for glomerular filtration, and 14 C-oxalic acid were observed in rats surviving 12 months of exposure to ethylene glycol up to 300 mg/kg/day. In studies with naive male Wistar and F344 rats (a less sensitive strain), a significant difference was observed in oxalate clearances between young rats (i.e. Wistar clearance < F344) but not in age-matched old rats. Regardless, the ratios of oxalate:inulin clearances in these two strains of rats, including those exposed to ethylene glycol, were all < 1, suggesting that a fraction of the filtered oxalate is reabsorbed. Other species, including humans, typically have clearance ratios > 1 and are more effective at clearing oxalic acid by both glomerular filtration and active secretion. Thus, the lower renal clearance and kidney accumulation of oxalates in male Wistar rats enhances their sensitivity, which will be a factor in human risk assessments. The benchmark dose values (BMD05, BMDL05) were 170 mg/kg/day and 150 mg/kg/day for nephropathy, and 170 mg/kg/day and 160 mg/kg/day for birefringent crystals, using incidence times severity data in each case. The NOAEL of 150 mg/kg/day is the same as that reported after 16-week exposure and appears to be a threshold dose below which no renal toxicity occurs, regardless of exposure duration. (C) 2007 Elsevier Inc. All rights reserved. C1 [Corley, R. A.; Soelberg, J. J.] Battelle Pacific NW Div, Richland, WA 99352 USA. [Wilson, D. M.; Stebbins, K. E.; Bartels, M. J.; Dryzga, M. D.; Snellings, W. M.] Dow Chem Co USA, Midland, MI 48674 USA. [Gingell, R.] Shell Oil Co, Houston, TX 77002 USA. [McMartin, K. E.] Louisiana State Univ, Hlth Sci Ctr, Shreveport, LA 71130 USA. RP Corley, RA (reprint author), 902 Battelle Blvd,POB 999,MSIN P7-59, Richland, WA 99352 USA. EM rick.corley@pnl.gov NR 51 TC 15 Z9 16 U1 0 U2 3 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0041-008X J9 TOXICOL APPL PHARM JI Toxicol. Appl. Pharmacol. PD APR 15 PY 2008 VL 228 IS 2 BP 165 EP 178 DI 10.1016/j.taap.2007.11.024 PG 14 WC Pharmacology & Pharmacy; Toxicology SC Pharmacology & Pharmacy; Toxicology GA 295SN UT WOS:000255494300005 PM 18191429 ER PT J AU Cionca, CN Riposan, A Kumah, DP Husseini, NS Walko, DA Yacoby, Y Millunchick, JM Clarke, R AF Cionca, C. N. Riposan, A. Kumah, D. P. Husseini, N. S. Walko, D. A. Yacoby, Y. Millunchick, J. M. Clarke, R. TI Strain and composition mapping of epitaxial nanostructures SO APPLIED PHYSICS LETTERS LA English DT Article ID NUCLEATION; NANOSCALE; LAYERS AB We have used surface x-ray diffraction and a direct method of phase reconstruction to obtain subangstrom resolution maps of an ion-beam milled In(0.27)Ga(0.73)As/GaAs(001) thin film exhibiting three-dimensional (3D) epitaxial nanostructures. The 3D electron density was calculated based on the diffraction pattern along the Bragg rods measured with synchrotron radiation, from which the chemical composition, strain profile, and average nanostructure shape were extracted. The film maintained a wetting layer exhibiting a sharp strain gradient, which extended into the substrate. Atop the wetting layer, the ion-beam milled islands possessed an apical shape and were depleted in indium. (C) 2008 American Institute of Physics. C1 [Cionca, C. N.; Riposan, A.; Clarke, R.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Kumah, D. P.; Husseini, N. S.; Millunchick, J. M.; Clarke, R.] Univ Michigan, Appl Phys Program, Ann Arbor, MI 48109 USA. [Walko, D. A.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Yacoby, Y.] Hebrew Univ Jerusalem, Racah Inst Phys, IL-91904 Jerusalem, Israel. [Millunchick, J. M.] Univ Michigan, Mat Sci & Engn Dept, Ann Arbor, MI 48109 USA. RP Cionca, CN (reprint author), Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. EM codrin@umich.edu RI Kumah, Divine/A-7031-2011 OI Kumah, Divine/0000-0003-0715-1285 NR 22 TC 3 Z9 3 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 14 PY 2008 VL 92 IS 15 AR 151914 DI 10.1063/1.2908214 PG 3 WC Physics, Applied SC Physics GA 290IS UT WOS:000255117100035 ER PT J AU Devine, RAB Hjalmarson, HP Alshareef, HN Quevedo-Lopez, M AF Devine, R. A. B. Hjalmarson, H. P. Alshareef, H. N. Quevedo-Lopez, M. TI Negative bias temperature instability and relaxation in HfSiON gate stack field effect devices SO APPLIED PHYSICS LETTERS LA English DT Article ID OXIDE-SEMICONDUCTOR TRANSISTORS; MOBILITY; CHARGE; INVERSION; INTERFACE; MODEL AB Negative bias temperature instability and relaxation measurements have been performed on HfSiON gate stack devices. The time exponent for threshold voltage shift evolution is observed to be temperature dependent. The dominant source of the positive charge induced threshold voltage variation is determined to be dielectric trapped charge and this is the source of variation during relaxation. Nonlinear threshold voltage shift versus inversion channel carrier mobility is observed. Its magnitude is inconsistent with expectations from existing models. (C) 2008 American Institute of Physics. C1 [Devine, R. A. B.] New Mexico Inst Min & Technol, EMRTC, Socorro, NM 87801 USA. [Hjalmarson, H. P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Alshareef, H. N.; Quevedo-Lopez, M.] Univ Texas Richardson, Dept Mat Sci & Engn, Richardson, TX 75080 USA. RP Devine, RAB (reprint author), New Mexico Inst Min & Technol, EMRTC, 1001 S Rd, Socorro, NM 87801 USA. EM devine@chtm.unm.edu RI Alshareef, Husam Niman/A-2000-2015 OI Alshareef, Husam Niman/0000-0001-5029-2142 NR 12 TC 0 Z9 0 U1 1 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 APR 14 PY 2008 VL 92 IS 15 AR 153512 DI 10.1063/1.2912025 PG 3 WC Physics, Applied SC Physics GA 290IS UT WOS:000255117100117 ER PT J AU Kalinin, SV Rodriguez, BJ Kim, SH Hong, SK Gruverman, A Eliseev, EA AF Kalinin, Sergei V. Rodriguez, Brian J. Kim, Seung-Hyun Hong, Suk-Kyoung Gruverman, Alexei Eliseev, Eugene A. TI Imaging mechanism of piezoresponse force microscopy in capacitor structures SO APPLIED PHYSICS LETTERS LA English DT Article AB The image formation mechanism in piezoresponse force microscopy (PFM) of capacitor structures is analyzed. We demonstrate that the spatial resolution is a bilinear function of film and top electrode thicknesses and derive the corresponding analytical expressions. For many perovskites, the opposite contributions of d(31) and d(33) components can result in anomalous domain wall profiles. This analysis establishes the applicability limits of PFM for polarization dynamics studies in capacitors and applies them to other structural probes, including focused x-ray studies of capacitor structures. (c) 2008 American Institute of Physics. C1 [Kalinin, Sergei V.; Rodriguez, Brian J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Kalinin, Sergei V.; Rodriguez, Brian J.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Kim, Seung-Hyun] INOSTEK Inc, Gyeonggi 426901, South Korea. [Hong, Suk-Kyoung] Hynix Semicond Inc, Incheon Si 467701, Kyoungki Do, South Korea. [Gruverman, Alexei] Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA. [Eliseev, Eugene A.] Natl Acad Sci Ukraine, Inst Problems Mat Sci, UA-03142 Kiev, Ukraine. RP Kalinin, SV (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM sergei2@ornl.gov; eliseev@i.com.ua RI Kalinin, Sergei/I-9096-2012; Rodriguez, Brian/A-6253-2009; Gruverman, alexei/P-3537-2014 OI Kalinin, Sergei/0000-0001-5354-6152; Rodriguez, Brian/0000-0001-9419-2717; Gruverman, alexei/0000-0003-0492-2750 NR 20 TC 36 Z9 36 U1 2 U2 17 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 APR 14 PY 2008 VL 92 IS 15 AR 152906 DI 10.1063/1.2905266 PG 3 WC Physics, Applied SC Physics GA 290IS UT WOS:000255117100070 ER PT J AU Li, YJ Kaspar, TC Droubay, TC Zhu, Z Shutthanandan, V Nachimuthu, P Chambers, SA AF Li, Y. J. Kaspar, T. C. Droubay, T. C. Zhu, Z. Shutthanandan, V. Nachimuthu, P. Chambers, S. A. TI Electronic properties of H and D doped ZnO epitaxial films SO APPLIED PHYSICS LETTERS LA English DT Article ID ZINC-OXIDE; PERSISTENT PHOTOCONDUCTIVITY; HYDROGEN; SURFACE; SEMICONDUCTORS; CONDUCTION; CRYSTALS; CENTERS AB ZnO epitaxial films grown by pulsed laser deposition in an ambient of H-2 or D-2 exhibit qualitatively different electronic properties compared to films grown in vacuum or O-2 or bulk single crystals annealed in H-2. These include temperature-independent resistivities of similar to 0.1 Omega cm, carrier (electron) concentrations in the 10(18) cm(-3) range, mobilities of 20-40 cm(2)/V s, and negligible (a few meV) activation energies for conduction. These transport properties are consistent with H (D) forming an ultrashallow donor or conduction band states not achievable by postgrowth annealing in H-2. (C) 2008 American Institute of Physics. C1 [Li, Y. J.; Kaspar, T. C.; Droubay, T. C.; Zhu, Z.; Shutthanandan, V.; Nachimuthu, P.; Chambers, S. A.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. RP Li, YJ (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. EM sa.chambers@pnl.gov RI Zhu, Zihua/K-7652-2012; Droubay, Tim/D-5395-2016 OI Droubay, Tim/0000-0002-8821-0322 NR 27 TC 17 Z9 18 U1 0 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 14 PY 2008 VL 92 IS 15 AR 152105 DI 10.1063/1.2911723 PG 3 WC Physics, Applied SC Physics GA 290IS UT WOS:000255117100040 ER PT J AU Liu, M Obi, O Lou, J Stoute, S Huang, JY Cai, ZH Ziemer, KS Sun, NX AF Liu, Ming Obi, Ogheneyunume Lou, Jing Stoute, Stephen Huang, Jian Y. Cai, Zhuhua Ziemer, Katherine S. Sun, Nian X. TI Spin-spray deposited multiferroic composite Ni0.23Fe2.77O4/Pb(Zr,Ti)O-3 with strong interface adhesion SO APPLIED PHYSICS LETTERS LA English DT Article ID THIN-FILMS; FERROELECTRICITY; NANOSTRUCTURES; MAGNETISM AB Ni0.23Fe2.77O4 (NFO)/Pb(Zr,Ti)O-3 (PZT) multiferroic composites were synthesized by spin-spray deposition of NFO film onto PZT at 90 degrees C. Strong interface adhesion between NFO and PZT was observed, which was verified by high resolution transmission electron microscopy indicating excellent wetting between the NFO and PZT, and by the strong magnetoelectric coupling in the NFO/PZT multiferroic composite showing an electric field induced remnant magnetization change of 10%. This strong interface adhesion and low-temperature spin-spray synthesis of multiferroic materials provide an alternative route for novel integrated multiferroic materials and devices. (c) 2008 American Institute of Physics. C1 [Liu, Ming; Obi, Ogheneyunume; Lou, Jing; Stoute, Stephen; Sun, Nian X.] Northeastern Univ, Dept Elect & Comp Engn, Ctr Microwave Magnet Mat & Integrated Circuits, Boston, MA 02115 USA. [Huang, Jian Y.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. [Cai, Zhuhua; Ziemer, Katherine S.] Northeastern Univ, Dept Chem Engn, Boston, MA 02115 USA. RP Sun, NX (reprint author), Northeastern Univ, Dept Elect & Comp Engn, Ctr Microwave Magnet Mat & Integrated Circuits, Boston, MA 02115 USA. EM nian@ece.neu.edu RI Liu, Ming/B-4143-2009; Sun, Nian Xiang/F-9590-2010; Sun, Nian-xiang/G-8330-2011; Lou, Jing/B-6762-2009; Huang, Jianyu/C-5183-2008; Obi, Ogheneyunume/K-2372-2012 OI Liu, Ming/0000-0002-6310-948X; Sun, Nian Xiang/0000-0002-3120-0094; NR 28 TC 22 Z9 23 U1 2 U2 25 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 14 PY 2008 VL 92 IS 15 AR 152504 DI 10.1063/1.2911743 PG 3 WC Physics, Applied SC Physics GA 290IS UT WOS:000255117100057 ER PT J AU Sachan, M Bonnoit, C Majetich, SA Ijiri, Y Mensah-Bonsu, PO Borchers, JA Rhyne, JJ AF Sachan, M. Bonnoit, C. Majetich, S. A. Ijiri, Y. Mensah-Bonsu, P. O. Borchers, J. A. Rhyne, J. J. TI Field evolution of magnetic correlation lengths in epsilon-Co nanoparticle assemblies SO APPLIED PHYSICS LETTERS LA English DT Article ID ANGLE NEUTRON-SCATTERING; PARTICLES; SIZE AB Small-angle neutron scattering measurements of Co nanoparticle assemblies reveal three characteristic length scales associated with the interparticle and intraparticle magnetic orders. The first length scale stemming from particle size and separation does not vary with applied field. In contrast, the magnetic correlation length increases from 71 +/- 9 nm in zero field at 5 K to greater than 1000 nm in fields larger than 0.2 T. The random-field length scale decreases from 37 +/- 8 nm when H=0 to 9.1 +/- 0.3 nm in H=0.2 T, and the contribution of this term is less significant in large fields. (c) 2008 American Institute of Physics. C1 [Sachan, M.; Bonnoit, C.; Majetich, S. A.] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Ijiri, Y.; Mensah-Bonsu, P. O.] Oberlin Coll, Dept Phys & Astron, Oberlin, OH 44074 USA. [Borchers, J. A.] Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Rhyne, J. J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Sachan, M (reprint author), Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. EM sara@cmu.edu RI Majetich, Sara/B-1022-2015 OI Majetich, Sara/0000-0003-0848-9317 NR 21 TC 5 Z9 5 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 14 PY 2008 VL 92 IS 15 AR 152503 DI 10.1063/1.2911736 PG 3 WC Physics, Applied SC Physics GA 290IS UT WOS:000255117100056 ER PT J AU Tournear, DM Hoffbauer, MA Akhadov, EA Chen, AT Pendleton, SJ Williamson, TL Cha, KC Epstein, RI AF Tournear, D. M. Hoffbauer, M. A. Akhadov, E. A. Chen, A. T. Pendleton, S. J. Williamson, T. L. Cha, K. C. Epstein, R. I. TI Gamma-ray waveguides SO APPLIED PHYSICS LETTERS LA English DT Article ID OPTICS; REFLECTION AB We have developed an approach for gamma-ray optics using layered structures acting as planar waveguides. Experiments demonstrating channeling of 122 keV gamma rays in two prototype waveguides validate the feasibility of this technology. Gamma-ray waveguides allow one to control the direction of radiation up to a few MeV. The waveguides are conceptually similar to polycapillary optics, but can function at higher gamma-ray energies. Optics comprised of these waveguides will be able to collect radiation from small solid angles or concentrate radiation into small area detectors. Gamma-ray waveguides may find applications in medical imaging and treatment, astrophysics, and homeland security. (c) 2008 American Institute of Physics. C1 [Tournear, D. M.; Hoffbauer, M. A.; Akhadov, E. A.; Chen, A. T.; Pendleton, S. J.; Williamson, T. L.; Cha, K. C.; Epstein, R. I.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Tournear, DM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM epstein@lanl.gov NR 16 TC 2 Z9 2 U1 1 U2 4 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 APR 14 PY 2008 VL 92 IS 15 AR 153502 DI 10.1063/1.2905280 PG 3 WC Physics, Applied SC Physics GA 290IS UT WOS:000255117100107 ER PT J AU Xu, J Ott, R Sabau, AS Pan, ZW Xiu, FX Liu, JL Erie, JM Norton, DP AF Xu, Jun Ott, Ronald Sabau, Adrian S. Pan, Zhengwei Xiu, Faxian Liu, Jianlin Erie, Jean-Marie Norton, David P. TI Generation of nitrogen acceptors in ZnO using pulse thermal processing SO APPLIED PHYSICS LETTERS LA English DT Article ID P-TYPE ZNO; MOLECULAR-BEAM EPITAXY; ZINC-OXIDE; FILMS; PHOTOLUMINESCENCE; DIODES AB Bipolar doping in wide bandgap semiconductors is difficult to achieve under equilibrium conditions because of the spontaneous formation of compensating defects and unfavorable energetics for dopant substitution. In this work, we explored the use of rapid pulse thermal processing for activating nitrogen dopants into acceptor states in ZnO. Low-temperature photoluminescence spectra revealed both acceptor-bound exciton (A(0)X) and donor-acceptor pair emissions, which present direct evidence for acceptors generated after pulse thermal processing of nitrogen-doped ZnO. This work suggests that pulse thermal processing is potentially an effective method for p-type doping of ZnO. (C) 2008 American Institute of Physics. C1 [Xu, Jun; Ott, Ronald; Sabau, Adrian S.; Pan, Zhengwei] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Xiu, Faxian; Liu, Jianlin] Univ Calif Riverside, Dept Elect Engn, Quantum Struct Lab, Riverside, CA 92521 USA. [Erie, Jean-Marie; Norton, David P.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. RP Xu, J (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM xuj2@ornl.gov RI Sabau, Adrian/B-9571-2008; Xiu, Faxian/B-4985-2012; OI Sabau, Adrian/0000-0003-3088-6474; Pan, Zhengwei/0000-0002-3854-958X NR 26 TC 11 Z9 11 U1 0 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 14 PY 2008 VL 92 IS 15 AR 151112 DI 10.1063/1.2911725 PG 3 WC Physics, Applied SC Physics GA 290IS UT WOS:000255117100012 ER PT J AU Farrow, DA Qian, W Smith, ER Ferro, AA Jonas, DM AF Farrow, Darcie A. Qian, Wei Smith, Eric R. Ferro, Allison A. Jonas, David M. TI Polarized pump-probe measurements of electronic motion via a conical intersection SO JOURNAL OF CHEMICAL PHYSICS LA English DT Review ID POTENTIAL-ENERGY SURFACES; POLYATOMIC-MOLECULES; VIBRATIONAL-SPECTRA; NONADIABATIC TRANSITIONS; SOLVATION DYNAMICS; BORN-OPPENHEIMER; FINE-STRUCTURE; SPECTROSCOPY; ANISOTROPY; SYSTEMS AB Polarized femtosecond pump-probe spectroscopy is used to observe electronic wavepacket motion for vibrational wavepackets centered on a conical intersection. After excitation of a doubly degenerate electronic state in a square symmetric silicon naphthalocyanine molecule, electronic motions cause a similar to 100 fs drop in the polarization anisotropy that can be quantitatively predicted from vibrational quantum beat modulations of the pump-probe signal. Vibrational symmetries are determined from the. polarization anisotropy of the vibrational quantum beats. The polarization anisotropy of the totally symmetric vibrational quantum beats shows that the electronic wavepackets equilibrate via the conical intersection within similar to 200 fs. The relationship used to predict the initial electronic polarization anisotropy decay from the asymmetric vibrational quantum beat amplitudes indicates that the initial width of the vibrational wavepacket determines the initial speed of electronic wavepacket motion. For chemically reactive conical intersections, which can have 1000 times greater stabilization energies than the one observed here, the same theory predicts electronic equilibration within 2 fs. Such electronic movements would be the fastest known chemical processes. (C) 2008 American Institute of Physics. C1 [Farrow, Darcie A.; Qian, Wei; Smith, Eric R.; Ferro, Allison A.; Jonas, David M.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. RP Farrow, DA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM david.jonas@colorado.edu RI Jonas, David/A-7491-2008 OI Jonas, David/0000-0002-1085-8161 NR 112 TC 26 Z9 26 U1 6 U2 55 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 14 PY 2008 VL 128 IS 14 AR 144510 DI 10.1063/1.2837471 PG 22 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 295JH UT WOS:000255470300046 PM 18412462 ER PT J AU Liu, J Miller, WH AF Liu, Jian Miller, William H. TI Test of the consistency of various linearized semiclassical initial value time correlation functions in application to inelastic neutron scattering from liquid para-hydrogen SO JOURNAL OF CHEMICAL PHYSICS LA English DT Review ID CENTROID MOLECULAR-DYNAMICS; QUANTUM-STATISTICAL MECHANICS; VIBRATIONAL-ENERGY RELAXATION; MODE-COUPLING THEORY; INTEGRAL MONTE-CARLO; NUMERICAL ANALYTIC CONTINUATION; THERMAL RATE CONSTANTS; VALUE REPRESENTATION; COLLECTIVE EXCITATIONS; CONDENSED-PHASE AB The linearized approximation to the semiclassical initial value representation (LSC-IVR) is used to calculate time correlation functions relevant to the incoherent dynamic structure factor for inelastic neutron scattering from liquid para-hydrogen at 14 K. Various time correlations functions were used which, if evaluated exactly, would give identical results, but they do not because the LSC-IVR is approximate. Some of the correlation functions involve only linear operators, and others involve nonlinear operators. The consistency of the results obtained with the various time correlation functions thus provides a useful test of the accuracy of the LSC-IVR approximation and its ability to treat correlation functions involving both linear and nonlinear operators in realistic anharmonic systems. The good agreement of the results obtained from different correlation functions, their excellent behavior in the spectral moment tests based on the exact moment constraints, and their semiquantitative agreement with the inelastic neutron scattering experimental data all suggest that the LSC-IVR is indeed a good short-time approximation for quantum mechanical correlation functions. (C) 2008 American Institute of Physics. C1 [Liu, Jian] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Liu, Jian] Univ Calif Berkeley, KS Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. [Miller, William H.] Div Chem Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Liu, J (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM jianliu@berkeley.edu; millerwh@berkeley.edu RI Liu, Jian/B-2274-2012 OI Liu, Jian/0000-0002-2906-5858 NR 133 TC 38 Z9 38 U1 3 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 14 PY 2008 VL 128 IS 14 AR 144511 DI 10.1063/1.2889945 PG 15 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 295JH UT WOS:000255470300047 PM 18412463 ER PT J AU Mayhall, NJ Raghavachari, K Redfern, PC Curtiss, LA Rassolov, V AF Mayhall, Nicholas J. Raghavachari, Krishnan Redfern, Paul C. Curtiss, Larry A. Rassolov, Vitaly TI Toward accurate thermochemical models for transition metals: G3Large basis sets for atoms Sc-Zn SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID HIGHLY CORRELATED SYSTEMS; ELECTRONIC-STRUCTURE; COMPUTATIONAL THERMOCHEMISTRY; PROJECTION OPERATORS; EXCITATION-ENERGIES; MOLECULAR-ENERGIES; VIBRATION-ROTATION; EMISSION-SPECTRA; GAUSSIAN-2 SET; 3RD-ROW ATOMS AB An augmented valence triple-zeta basis set, referred to as G3Large, is reported for the first-row transition metal elements Sc through Zn. The basis set is constructed in a manner similar to the G3Large basis set developed previously for other elements (H-Ar, K, Ca, Ga-Kr) and used as a key component in Gaussian-3 theory. It is based on a contraction of a set of 15s13p5d Gaussian primitives to 8s7p3d, and also includes sets of f and g polarization functions, diffuse spd functions, and core df polarization functions. The basis set is evaluated with triples-augmented coupled cluster [CCSD(T)] and Brueckner orbital [BD(T)] methods for a small test set involving energies of atoms, atomic ions, and diatomic hydrides. It performs well for the low-lying s -> d excitation energies of atoms, atomic ionization energies, and the dissociation energies of the diatomic hydrides. The Brueckner orbital-based BD(T) method performs substantially better than Hartree-Fock-based CCSD(T) for molecules such as NiH, where the starting unrestricted Hartree-Fock wavefunction suffers from a high degree of spin contamination. Comparison with available data for geometries of transition metal hydrides also shows good agreement. A smaller basis set without core polarization functions, G3MP2Large, is also defined. (c) 2008 American Institute of Physics. C1 [Mayhall, Nicholas J.; Raghavachari, Krishnan] Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. [Curtiss, Larry A.] Argonne Natl Lab, Ctr Nanoscale Mat, Div Mat Sci, Argonne, IL 60439 USA. [Redfern, Paul C.; Curtiss, Larry A.] Argonne Natl Lab, Ctr Nanoscale Mat, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Rassolov, Vitaly] Univ S Carolina, Dept Chem, Columbia, SC 29208 USA. RP Mayhall, NJ (reprint author), Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. EM kraghava@indiana.edu; curtiss@anl.gov OI Rassolov, Vitaly/0000-0002-7244-8870 NR 61 TC 13 Z9 13 U1 2 U2 7 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 14 PY 2008 VL 128 IS 14 AR 144122 DI 10.1063/1.2896084 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 295JH UT WOS:000255470300022 PM 18412438 ER PT J AU Mayneris, J Martinez, R Hernando, J Gray, SK Gonzalez, M AF Mayneris, Jordi Martinez, Rodrigo Hernando, Jordi Gray, Stephen K. Gonzalez, Miguel TI Quantum-dynamics study of the K+HF(v=0-2, j=0)-> KF+H reaction and comparison with quasiclassical trajectory results SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID REAL WAVE-PACKETS; RATE CONSTANTS; REACTION PROBABILITIES; MOLECULAR ALIGNMENT; COLLISION ENERGY; CROSS-SECTIONS; SCATTERING; SURFACES; BEAM AB Extensive quantum real wave packet calculations within the helicity decoupling approximation are used to analyze the influence of the HF vibrational excitation on the K+HF(v = 0-2, J = 0) -> KF +H reaction. Quantum reaction probabilities P and reaction cross sections sigma are compared with corresponding quasiclassical trajectory (QCT) results. Disregarding threshold regions for v = 0 and 1 (v = 2 has no threshold), both approaches lead to remarkably similar results, particularly for sigma, validating the use of the QCT method for this system. When moving from v = 0 to v = I there is a large increase in P and sigma, as expected for a late barrier system. For v = 2 the reaction becomes exoergic and P approximate to 0.95 (with the exception of large total angular momenta where centrifugal barriers play a role). While substantial vibrational enhancement of the reactivity is thus seen, it is still quite less than that inferred from experimental data in the intermediate and high collision energy ranges. The origin of this discrepancy is unclear. (c) 2008 American Institute of Physics. C1 [Mayneris, Jordi; Gonzalez, Miguel] Univ Barcelona, Dept Quim Fis, E-08028 Barcelona, Spain. [Mayneris, Jordi; Gonzalez, Miguel] Univ Barcelona, Ctr Ric Quim Teor, E-08028 Barcelona, Spain. [Martinez, Rodrigo] Univ La Rioja, Dept Quim, Logrono 26006, Spain. [Hernando, Jordi] Univ Autonoma Barcelona, Dept Quim, Cerdanyola Del Valles 08193, Spain. [Gray, Stephen K.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Gonzalez, M (reprint author), Univ Barcelona, Dept Quim Fis, Parc Cient Barcelona,C Marti & Franques, E-08028 Barcelona, Spain. EM miguel.gonzalez@ub.edu RI Hernando, Jordi/G-8661-2015; OI Hernando, Jordi/0000-0002-1126-4138; Martinez Ruiz, Rodrigo/0000-0002-5850-8494 NR 30 TC 6 Z9 6 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 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 14 PY 2008 VL 128 IS 14 AR 144302 DI 10.1063/1.2850887 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 295JH UT WOS:000255470300024 PM 18412440 ER PT J AU Semidey-Flecha, L Sholl, DS AF Semidey-Flecha, Lymarie Sholl, David S. TI Combining density functional theory and cluster expansion methods to predict H(2) permeance through Pd-based binary alloy membranes SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID GENERALIZED GRADIENT APPROXIMATION; PALLADIUM-COPPER ALLOYS; POROUS STAINLESS-STEEL; ELEVATED-TEMPERATURES; HYDROGEN PERMEATION; METAL MEMBRANES; DILUTE-SOLUTIONS; DIFFUSION; SEPARATION; SURFACE AB First-principles calculations offer a useful complement to experimental approaches for characterizing hydrogen permeance through dense metal membranes. A challenge in applying these methods to disordered alloys is to make quantitative predictions for the net solubility and diffusivity of interstitial H based on the spatially local information that can be obtained from first-principles calculations. In this study, we used a combination of density functional theory calculations and a cluster expansion method to describe interstitial H in alloys of composition Pd(96)M(4), where M=Ag, Cu, and Rh. The cluster expansion approach highlights the shortcomings of simple lattice models that have been used in the past to study similar systems. We use Sieverts' law to calculate, H solubility and a kinetic Monte Carlo scheme to find the diffusivity of H in PdAg, PdCu, and PdRh alloys at a temperature range of 400 <= T <= 1200 K. From these results, we are able to predict the permeability of hydrogen through membranes made from these Pd-based binary alloys. (C) 2008 American Institute of Physics. C1 Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15236 USA. RP Semidey-Flecha, L (reprint author), Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. EM david.sholl@chbe.gatech.edu NR 72 TC 39 Z9 39 U1 3 U2 22 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 14 PY 2008 VL 128 IS 14 AR 144701 DI 10.1063/1.2900558 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 295JH UT WOS:000255470300049 PM 18412465 ER PT J AU Lerch, EBW Dai, XC Torres, EA Ballard, JB Stauffer, HU Leone, SR AF Lerch, Eliza-Beth W. Dai, Xingcan Torres, Elva A. Ballard, Joshua B. Stauffer, Hans U. Leone, Stephen R. TI Manipulation of ro-vibronic wave packet composition using chirped ultrafast laser pulses SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID POPULATION TRANSFER; OPTICAL CENTRIFUGE; SHELF STATE; DISSOCIATION; MOLECULES; SYSTEM; PHASE; LI-2; NO AB Linearly chirped femtosecond laser pulses are used to excite ro-vibrational wave packets in lithium dimers from a single well-prepared launch state. Two-photon resonant Raman transitions excite a manifold of rotational states in a coherent superposition. Excitation with positively chirped laser pulses is shown to enhance a quantum beat involving states with lower rotational quantum numbers, whereas negatively chirped pulses enhance a quantum beat between states with higher rotational quantum numbers, thus steering the rotational coherences to higher or lower rotational states. Time-dependent perturbation theory calculations verify the magnitudes and directions of the enhancement as a function of the applied chirp. The quantitative calculations and experimental results demonstrate that excitation with chirped pulses is an effective method for enhancing specific rotational coherences involving higher or lower rotational states. C1 [Lerch, Eliza-Beth W.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Lerch, EBW (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM srl@berkeley.edu RI Dai, Xingcan/B-3556-2014 NR 28 TC 3 Z9 3 U1 0 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-4075 J9 J PHYS B-AT MOL OPT JI J. Phys. B-At. Mol. Opt. Phys. PD APR 14 PY 2008 VL 41 IS 7 AR 074015 DI 10.1088/0953-4075/41/7/074015 PG 7 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 285LQ UT WOS:000254778700016 ER PT J AU Grigorenko, I Haas, S Balatsky, A Levi, AFJ AF Grigorenko, Ilya Haas, Stephan Balatsky, Alexander Levi, A. F. J. TI Optimal control of electromagnetic field using metallic nanoclusters SO NEW JOURNAL OF PHYSICS LA English DT Article AB The dielectric properties of metallic nanoclusters in the presence of an applied electromagnetic field are investigated using the non-local linear response theory. In the quantum limit we find a nontrivial dependence of the induced field and charge distributions on the spatial separation between the clusters and on the frequency of the driving field. Using a genetic algorithm, these quantum functionalities are exploited to custom-design sub-wavelength lenses with a frequency-controlled switching capability. C1 [Grigorenko, Ilya; Balatsky, Alexander] Los Alamos Natl Lab, Ctr Nonlinear Studies, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Haas, Stephan; Levi, A. F. J.] Univ So Calif, Dept Phys & Astron, Los Angeles, CA 90089 USA. [Levi, A. F. J.] Univ So Calif, Dept Elect Engn, Los Angeles, CA 90089 USA. RP Grigorenko, I (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies, Ctr Integrated Nanotechnol, T-11, Los Alamos, NM 87545 USA. RI Haas, Stephan/C-4103-2008; Grigorenko, Ilya/B-5616-2009; Levi, Anthony/B-4112-2009 NR 5 TC 15 Z9 15 U1 0 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD APR 14 PY 2008 VL 10 AR 043017 DI 10.1088/1367-2630/10/4/043017 PG 8 WC Physics, Multidisciplinary SC Physics GA 289RX UT WOS:000255072700001 ER PT J AU He, F Hung, HSS Price, JHV Daga, NK Naz, N Prawiharjo, J Hanna, DC Shepherd, DP Richardson, DJ Dawson, JW Siders, CW Barty, CPJ AF He, F. Hung, H. S. S. Price, J. H. V. Daga, N. K. Naz, N. Prawiharjo, J. Hanna, D. C. Shepherd, D. P. Richardson, D. J. Dawson, J. W. Siders, C. W. Barty, C. P. J. TI High energy femtosecond fiber chirped pulse amplification system with adaptive phase control SO OPTICS EXPRESS LA English DT Article ID ULTRASHORT OPTICAL PULSES; LASER SYSTEMS; AMPLIFIER; COMPENSATION; PROPAGATION; MODULATION; DISPERSION AB We demonstrate increased peak power from an Yb fiber CPA system operating with strong self-phase modulation by shaping the spectral-phase of the input pulses. An adaptive control loop used feedback from the output autocorrelation. We investigated pre-compensation of both SPM phase distortion at high energies, and residual dispersion from mismatched stretcher/compressor technologies at low energies. Phase shaping resulted in improved pulse quality. When using a bulk grating stretcher, shaping increased the autocorrelation peak by a factor of 2.9, and with a fiber stretcher, shaping increased the autocorrelation peak by a factor of 3.4. High-quality 800 fs, 65 mu J recompressed pulses were produced. This technique could benefit a wide variety of fiber amplifier systems and is self-optimising for operation at both low and high pulse energies. (c) 2008 Optical Society of America. C1 [He, F.; Hung, H. S. S.; Price, J. H. V.; Daga, N. K.; Naz, N.; Prawiharjo, J.; Hanna, D. C.; Shepherd, D. P.; Richardson, D. J.] Univ Southampton, Optoelect Res Ctr, Southampton SO17 1BJ, Hants, England. [Dawson, J. W.; Siders, C. W.; Barty, C. P. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Price, JHV (reprint author), Univ Southampton, Optoelect Res Ctr, Southampton SO17 1BJ, Hants, England. EM jhvp@orc.soton.ac.uk RI Prawiharjo, Jerry/B-5934-2008; Shepherd, David/I-2823-2015; Richardson, David/N-5129-2014 OI Shepherd, David/0000-0002-4561-8184; Richardson, David/0000-0002-4092-6970 NR 23 TC 15 Z9 19 U1 1 U2 9 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD APR 14 PY 2008 VL 16 IS 8 BP 5813 EP 5821 DI 10.1364/OE.16.005813 PG 9 WC Optics SC Optics GA 290JY UT WOS:000255120300076 PM 18542692 ER PT J AU Efimov, A Taylor, AJ AF Efimov, Anatoly Taylor, Antoinette J. TI Supercontinuum generation and soliton timing jitter in SF6 soft glass photonic crystal fibers SO OPTICS EXPRESS LA English DT Article ID BROAD-BAND CONTINUUM; OPTICAL ROGUE WAVES; MICROSTRUCTURE-FIBER; NONLINEAR DYNAMICS; MU-M; NOISE; COHERENCE; PHASE; PULSE; NM AB We use broadband frequency-resolved optical gating (FROG) and cross-correlation FROG (XFROG) techniques to study the details of the supercontinuum generated in extruded soft glass SF6 photonic crystal fibers pumped with envelope-modulated 100 fs pulses at telecom wavelengths. Strong temporal jitter of solitons is observed with highly non-Gaussian statistics, which is related to the statistics of the pump pulse envelope shape fluctuations. The ripples present on the input pulse seed the modulation instability at high pump powers, affecting soliton fission. Numerical modeling confirms strong sensitivity of the soliton fission process to the presence of ripples on the pump pulse envelope. (c) 2008 Optical Society of America. C1 [Efimov, Anatoly; Taylor, Antoinette J.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol Mat Phys & Applicat, Los Alamos, NM 87544 USA. RP Efimov, A (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol Mat Phys & Applicat, POB 1663, Los Alamos, NM 87544 USA. EM efimov@lanl.gov OI Efimov, Anatoly/0000-0002-5559-4147 NR 34 TC 18 Z9 18 U1 0 U2 6 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD APR 14 PY 2008 VL 16 IS 8 BP 5942 EP 5953 DI 10.1364/OE.16.005942 PG 12 WC Optics SC Optics GA 290JY UT WOS:000255120300089 PM 18542705 ER PT J AU Yang, P Warnke, I Martin, RL Hay, PJ AF Yang, Ping Warnke, Ingolf Martin, Richard L. Hay, P. Jeffrey TI Theoretical studies of the sp(2) versus sp(3) C-H bond activation chemistry of 2-picoline by (C5Me5)(2)An(CH3)(2) complexes (An = Th, U) SO ORGANOMETALLICS LA English DT Article ID DENSITY-FUNCTIONAL INVESTIGATIONS; AGOSTIC INTERACTIONS; MECHANISTIC ASPECTS; METAL-COMPLEXES; THORIUM; METHANE; THERMOCHEMISTRY; METATHESIS; ELECTRON; ASTERISK AB The C-H bond activation chemistry of (C5Me5)(2)Th(CH3)(2) and (C5Me5)(2)U(CH3)(2) with 2-picoline (2-methylpyridine) is examined with use of density functional techniques. In particular, the differences, between insertion into the ortho ring sp(2) C-H bond and the methyl sp(3) C-H bond are explored. The energies to form the eta(2)-(N,C)-pyridyl products resulting from the activation of the aromatic ring sp(2) C-H bond are calculated as thermodynamic products for both thorium and uranium systems with similar reaction energies of -15.8 kcal/mol. The products corresponding to insertion into the methyl sp(3) C-H bond are found to be higher in energy by 3.5 and 5.4 kcal/mol for Th and U, respectively. In the transition states the actinide atom mediates the hydrogen migration from 2-picoline to the leaving methyl group by forming an agostic five-centered C-H complex. The relative activation energies between sp(2) and sp(3) C-H bond activation differ slightly between Th, Delta E-double dagger(sp(2)) > Delta E-double dagger(sp(3)) and U, Delta E-double dagger(sp(2)) < Delta E-double dagger(sp(3)). These results are in agreement with the experimental observations that the sp(2) insertion product is the thermodynamic product in both cases, but that the sp(3) insertion product is the kinetic product in the case of Th. C1 [Yang, Ping; Warnke, Ingolf; Martin, Richard L.; Hay, P. Jeffrey] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Yang, P (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM pyang@lanl.gov; jeffhay@mywdo.com RI Yang, Ping/E-5355-2011; OI Yang, Ping/0000-0003-4726-2860 NR 53 TC 25 Z9 25 U1 2 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0276-7333 J9 ORGANOMETALLICS JI Organometallics PD APR 14 PY 2008 VL 27 IS 7 BP 1384 EP 1392 DI 10.1021/om700927n PG 9 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA 282KG UT WOS:000254565900006 ER PT J AU Saito, S Gary, SP AF Saito, Shinji Gary, S. Peter TI Perpendicular scattering for electron beams by the electron/electron instability in solar electron bursts SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID PLASMA-WAVES; WIND; EVENTS; SIMULATIONS AB Energy dependence of electron pitch angle distributions in solar electron bursts is studied using both particle-in-cell simulations of the electron/electron instability and a time-of-flight model for streaming electrons. The simulations show that the electron/electron instability leads to a maximum of electron pitch angle width in electron kinetic energy. The energy where the maximum appears varies with electron beam parameters. The simulations further show that the maximum electron pitch angle width increases with increasing electron beam density. The time-of-flight effect which leads to positive slopes in electron velocity distributions implies that the probability of electron/electron instability growth in the solar wind depends on electron kinetic energy because of the presence of an electron halo distribution. It is concluded that the electron/electron instability induced by the time-of-flight effect is likely to yield a maximum electron pitch angle width near 1 keV. C1 [Saito, Shinji; Gary, S. Peter] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Saito, S (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM ssaito@lanl.gov; pgary@lanl.gov NR 27 TC 3 Z9 3 U1 0 U2 0 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 APR 12 PY 2008 VL 113 IS A4 AR A04S90 DI 10.1029/2007JA012889 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 289UL UT WOS:000255079300005 ER PT J AU Quinn, H Nir, Y AF Quinn, Helen Nir, Yossi TI How the cosmos was conquered SO NEW SCIENTIST LA English DT Article C1 [Quinn, Helen] Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94305 USA. [Nir, Yossi] Weizmann Inst Sci, IL-76100 Rehovot, Israel. RP Quinn, H (reprint author), Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94305 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU REED BUSINESS INFORMATION LTD PI SUTTON PA QUADRANT HOUSE THE QUADRANT, SUTTON SM2 5AS, SURREY, ENGLAND SN 0262-4079 J9 NEW SCI JI New Sci. PD APR 12 PY 2008 VL 198 IS 2651 BP 26 EP 29 DI 10.1016/S0262-4079(08)60913-6 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 287WB UT WOS:000254946100031 ER PT J AU Phillips, WS Stead, RJ AF Phillips, W. Scott Stead, Richard J. TI Attenuation of Lg in the western US using the USArray SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID CONTINENTAL UNITED-STATES; TIBETAN PLATEAU; CODA-Q; AMPLITUDE TOMOGRAPHY; CENTRAL-ASIA; CRUSTAL; WAVES; PROPAGATION; CHINA; PHASE AB The unprecedented breadth and density of the USArray allows us to resolve lateral variations of 1-Hz Lg attenuation to 0.5 degrees over much of the western United States. We collected over 31,000 Lg amplitudes from 547 events and 408 stations of the initial USArray footprint. Two-dimensional tomographic inversion yielded Q ranging from 60 to 550, with a variance reduction of 47% relative to the best-fit constant Q model (Q=155). Q is low over most of the region, with lowest values associated with recent volcanic activity, and active shear zones. High Q is found in older, stable crust, notably the Colorado and Columbia plateaus, while smaller islands of high Q are associated with batholiths, including the Sierra Nevada, Peninsular, and Bitterroot Ranges, the western Mojave, and Okanogan Highlands, as well as other areas of competent crust such as the Harcuvar range, and two topographically bounded blocks in the Basin and Range. C1 [Phillips, W. Scott; Stead, Richard J.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Phillips, WS (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87544 USA. NR 34 TC 31 Z9 31 U1 1 U2 3 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 APR 11 PY 2008 VL 35 IS 7 AR L07307 DI 10.1029/2007GL032926 PG 5 WC Geosciences, Multidisciplinary SC Geology GA 289SY UT WOS:000255075400001 ER PT J AU Gritti, F Guiochon, G AF Gritti, Fabrice Guiochon, Georges TI Ultra high pressure liquid chromatography column permeability and changes of the eluent properties SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE chromatographic column; mobile phase friction; heat effects; longitudinal temperature gradients; pressure drop; radial temperature gradients; column efficiency; C-18-bonded silica ID TEMPERATURE; HETEROGENEITY; ACETONITRILE; MIXTURES AB The behavior of four similar liquid chromatography columns (2.1 mm, i.d. x 30, 50, 100, and 150 mm, all packed with fine particles, average dp approximate to 1.7 mu m, of bridged ethylsiloxane/silica hybrid-C-18, named BEH-C-18) was studied in wide ranges of temperature and pressure. The pressure and the temperature dependencies of the viscosity and the density of the eluent (pure acetonitrile) along the columns were also derived, using the column permeabilities and applying the Kozeny-Carman and the heat balance equations. The heat lost through the external surface area of the chromatographic column was directly derived from the wall temperature of the stainless steel tube measured with a precision of +/- 0.2 degrees C in still air and +/- 0.1 degrees C in the oven compartment. The variations of the density and viscosity of pure acetonitrile as a function of the temperature and pressure was derived from empirical correlations based on precise experimental data acquired between 298 and 373 K and at pressures up to 1.5 kbar. The measurements were made with the Acquity UPLC chromatograph that can deliver a maximum flow rate of 2 mL/min and apply a maximum column inlet pressure of 1038 bar. The average Kozeny-Carman permeability constant of the columns was 144 +/- 3.5%. The temperature hence the viscosity and the density profiles of the eluent along the column deviate significantly from linear behavior under high-pressure gradients. For a 1000 bar pressure drop, we measured AT = 25-30 K, (Delta eta/eta) similar or equal to 10%, and (Delta rho/rho) similar or equal to 10%. These results show that the radial temperature profiles are never fully developed within 1% for any of the columns, even under still-air conditions. This represents a practical advantage regarding the apparent column efficiency at high flow rates, since the impact of the differential analyte velocity between the column center and the column wall is not maximum. The interpretation of the peak profiles recorded in UPLC is discussed. (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, 552 Buehler Hall, Knoxville, TN 37996 USA. EM guiochon@utk.edu NR 12 TC 51 Z9 51 U1 0 U2 4 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 APR 11 PY 2008 VL 1187 IS 1-2 BP 165 EP 179 DI 10.1016/j.chroma.2008.02.036 PG 15 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 290EE UT WOS:000255105300021 PM 18313063 ER PT J AU Mriziq, KS Guiochon, G AF Mriziq, Khaled S. Guiochon, Georges TI Column properties and flow profiles of a flat, wide column for high-pressure liquid chromatography SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE two-dimensional thin layer chromatography; column chromatography; 2D-HPLC; liquid chromatography; OPTLC; thin layer chromatography; uni-dimensional chromatography ID THIN-LAYER-CHROMATOGRAPHY; PLANAR CHROMATOGRAPHY; PACKING MATERIALS; SPOT CAPACITY; CONSOLIDATION; PERFORMANCES; TLC; BEDS; WALL; OPLC AB The design and the construction of a pressurized, flat, wide column for high-performance liquid chromatography (HPLC) are described. This apparatus, which is derived from instruments that implement over-pressured thin layer chromatography, can carry out only uni-dimensional chromatographic separations. However, it is intended to be the first step in the development of more powerful instruments that will be able to carry out two-dimensional chromatographic separations, in which case, the first separation would be a space-based separation, LCx, taking place along one side of the bed and the second separation would be a time-based separation, W, as in classical HPLC but proceeding along the flat column, not along a tube. The apparatus described consists of a pressurization chamber made of a Plexiglas block and a column chamber made of stainless steel. These two chambers are separated by a thin Mylar membrane. The column chamber is a cavity which is filled with a thick layer (ca. 1 mm) of the stationary phase. Suitable solvent inlet and outlet ports are located on two opposite sides of the sorbent layer. The design allows the preparation of a homogenous sorbent layer suitable to be used as a chromatographic column, the achievement of effective seals of the stationary phase layer against the chamber edges, and the homogenous flow of the mobile phase along the chamber. The entire width of the sorbent layer area can be used to develop separations or elute samples. The reproducible performance of the apparatus is demonstrated by the chromatographic separations of different dyes. This instrument is essentially designed for testing detector arrays to be used in a two-dimensional LCx x W instrument. The further development of two-dimension separation chromatographs based on the apparatus described is sketched. (c) 2008 Elsevier B.V. All rights reserved. C1 [Mriziq, Khaled S.; Guiochon, Georges] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Mriziq, Khaled S.; Guiochon, Georges] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Guiochon, G (reprint author), Univ Tennessee, Dept Chem, 414 Buehler Hall, Knoxville, TN 37996 USA. EM guiochon@utk.edu NR 30 TC 11 Z9 11 U1 1 U2 13 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 APR 11 PY 2008 VL 1187 IS 1-2 BP 180 EP 187 DI 10.1016/j.chroma.2008.02.037 PG 8 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 290EE UT WOS:000255105300022 PM 18313682 ER PT J AU McAndrews, HJ Owen, CJ Thomsen, MF Lavraud, B Coates, AJ Dougherty, MK Young, DT AF McAndrews, H. J. Owen, C. J. Thomsen, M. F. Lavraud, B. Coates, A. J. Dougherty, M. K. Young, D. T. TI Evidence for reconnection at Saturn's magnetopause SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID MAGNETOSPHERIC BOUNDARY-LAYER; FLUX-TRANSFER EVENTS; EARTHS BOW SHOCK; DAYSIDE MAGNETOPAUSE; PLASMA OBSERVATIONS; ENERGY-TRANSFER; OUTER PLANETS; FIELD LINES; MAGNETOSHEATH; CONVECTION AB Observations of Saturn's magnetopause by the Cassini Plasma Spectrometer ( CAPS) and magnetometer have revealed clear instances of magnetic reconnection signatures, two of which are described here. Both encounters occurred at the equator in the prenoon sector as Cassini was exiting the magnetosphere. Evidence of heating in the electrons and ions is highly suggestive of energization comparable to that associated with the reconnection process at Earth. In one case, the fields are strongly antiparallel and the magnetic data indicate the presence of a locally open magnetic field. In the other example, magnetic data indicate a locally closed magnetic field compatible with the field lines being locally parallel, but the particle signatures lead to the conclusion of a distant reconnection site poleward of the cusps being active. The reconnection voltage for the first case is calculated to be 48 kV, which is of the same order as previous estimates at Saturn. This is lower than the corotational voltage but is not insignificant. C1 [McAndrews, H. J.; Thomsen, M. F.; Lavraud, B.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [McAndrews, H. J.; Owen, C. J.; Coates, A. J.] UCL, Mullard Space Sci Lab, Dorking RH5 6NT, Surrey, England. [Dougherty, M. K.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, Space Atmospher Phys Grp, London, England. [Young, D. T.] SW Res Inst, Div Space Sci & Engn, San Antonio, TX USA. RP McAndrews, HJ (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RI Owen, Christopher/C-2999-2008; Coates, Andrew/C-2396-2008 OI Owen, Christopher/0000-0002-5982-4667; Coates, Andrew/0000-0002-6185-3125 FU Science and Technology Facilities Council [PP/D00084X/1] NR 59 TC 64 Z9 64 U1 0 U2 5 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9380 EI 2169-9402 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD APR 11 PY 2008 VL 113 IS A4 AR A04210 DI 10.1029/2007JA012581 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 289UJ UT WOS:000255079100002 ER PT J AU Johnson, SJ Close, D Robinson, H Vallet-Gely, I Dove, SL Hill, CP AF Johnson, Sean J. Close, Devin Robinson, Howard Vallet-Gely, Isabelle Dove, Simon L. Hill, Christopher P. TI Crystal structure and RNA binding of the Tex protein from Pseudomonas aeruginosa SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE transcription; S1 domain; Tex; x-ray crystallography; Spt6 ID TRANSCRIPTION ELONGATION-FACTORS; JUNCTION-SPECIFIC ENDONUCLEASE; HOLLIDAY JUNCTION; ESCHERICHIA-COLI; RUVC RESOLVASE; POLYMERASE-II; SH2 DOMAIN; S1 DOMAIN; FOLD; IDENTIFICATION AB Tex is a highly conserved bacterial protein that likely functions in a variety of transcriptional processes. Here, we describe two crystal structures of the 86-kDa Tex protein from Pseudomonas aeruginosa at 2.3 and 2.5 angstrom resolution, respectively. These structures reveal a relatively flat and elongated protein, with several potential nucleic acid binding motifs clustered at one end, including an S1 domain near the C-terminus that displays considerable structural flexibility. Tex binds nucleic acids, with a preference for single-stranded RNA, and the Tex S1 domain is required for this binding activity. Point mutants further demonstrate that the primary nucleic acid binding site corresponds to a surface of the S1 domain. Sequence alignment and modeling indicate that the eukaryotic Spt6 transcription factor adopts a similar core structure. Structural analysis further suggests that the RNA polymerase and nucleosome interacting regions of Spt6 flank opposite sides of the Tex-like scaffold. Therefore, the Tex structure may represent a conserved scaffold that binds single-stranded RNA to regulate transcription in both eukaryotic and prokaryotic organisms. Published by Elsevier Ltd. C1 [Close, Devin; Hill, Christopher P.] Univ Utah, Dept Biochem, Salt Lake City, UT 84112 USA. [Johnson, Sean J.] Utah State Univ, Dept Chem & Biochem, Logan, UT 84322 USA. [Robinson, Howard] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. [Vallet-Gely, Isabelle; Dove, Simon L.] Harvard Univ, Sch Med, Childrens Hosp, Div Infect Dis, Boston, MA 02115 USA. RP Hill, CP (reprint author), Univ Utah, Dept Biochem, Salt Lake City, UT 84112 USA. EM chris@biochem.utah.edu RI Johnson, Sean/G-8191-2012; vallet-gely, isabelle/A-1568-2013 FU NIAID NIH HHS [AI057754, R01 AI057754]; NIGMS NIH HHS [R01 GM076242-01, F32 GM074368, GM074368, GM076242, R01 GM076242, R01 GM076242-02, R01 GM076242-03, T32 GM008537, T32-GM008537] NR 53 TC 28 Z9 28 U1 1 U2 1 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 APR 11 PY 2008 VL 377 IS 5 BP 1460 EP 1473 DI 10.1016/j.jmb.2008.01.096 PG 14 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 288IK UT WOS:000254979500014 PM 18321528 ER PT J AU Pokkuluri, PR Pessanha, M Londer, YY Wood, SJ Duke, NEC Wilton, R Catarino, T Saigueiro, CA Schiffer, M AF Pokkuluri, P. R. Pessanha, M. Londer, Y. Y. Wood, S. J. Duke, N. E. C. Wilton, R. Catarino, T. Saigueiro, C. A. Schiffer, M. TI Structures and solution properties of two novel periplasmic sensor domains with c-type heme from chemotaxis proteins of Geobacter sulfurreducens: Implications for signal transduction SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE chemotaxis; signal transduction; PAS domain; c-type heme-containing sensor; Geobacter sulfurreducens ID ESCHERICHIA-COLI; PAS DOMAIN; BRADYRHIZOBIUM-JAPONICUM; LIGAND DISCRIMINATION; RECOMBINANT PROTEINS; ENERGY TRANSDUCTION; CRYSTAL-STRUCTURE; REDOX POTENTIALS; METAL REDUCTION; CYTOCHROME C' AB Periplasmic sensor domains from two methyl-accepting chemotaxis proteins from Geobacter sulfurreducens (encoded by genes GSU0935 and GSU0582) were expressed in Escherichia coli. The sensor domains were isolated, purified, characterized in solution, and their crystal structures were determined. In the crystal, both sensor domains form swapped dimers and show a PAS-type fold. The swapped segment consists of two helices of about 45 residues at the N terminus with the hemes located between the two monomers. In the case of the GSU0582 sensor, the dimer contains a crystallographic 2-fold symmetry and the heme is coordinated by an axial His and a water molecule. In the case of the GSU0935 sensor, the crystals contain a non-crystallographic dimer, and surprisingly, the coordination of the heme in each monomer is different; monomer A heme has His-Met ligation and monomer B heme has His-water ligation as found in the GSU0582 sensor. The structures of these sensor domains are the first structures of PAS domains containing covalently bound heme. Optical absorption, electron paramagnetic resonance and NMR spectroscopy have revealed that the heme groups of both sensor domains are high-spin and low-spin in the oxidized and reduced forms, respectively, and that the spin-state interconversion involves a heme axial ligand replacement. Both sensor domains bind NO in their ferric and ferrous forms but bind CO only in the reduced form. The binding of both NO and CO occurs via an axial ligand exchange process, and is fully reversible. The reduction potentials of the sensor domains differ by 95 mV (-156 mV and -251 mV for sensors GSU0582 and GSU0935, respectively). The swapped dimerization of these sensor domains and redox-linked ligand switch might be related to the mechanism of signal transduction by these chemotaxis proteins. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Pokkuluri, P. R.; Londer, Y. Y.; Wood, S. J.; Duke, N. E. C.; Wilton, R.; Schiffer, M.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Pessanha, M.; Catarino, T.; Saigueiro, C. A.] Univ Nova Lisboa, Fac Ciencias & Tecnol, Dept Quim, CQFB, P-2829516 Caparica, Portugal. [Catarino, T.] Univ Nova Lisboa, Inst Tecnol Quim & Biol, P-2829516 Caparica, Portugal. RP Schiffer, M (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mschiffer@anl.gov RI Salgueiro, Carlos/A-4522-2013; REQUIMTE, SMB/M-5694-2013; REQUIMTE, UCIBIO/N-9846-2013; Catarino, Teresa/A-9267-2012 OI Salgueiro, Carlos/0000-0003-1136-809X; Catarino, Teresa/0000-0003-3782-4014 NR 54 TC 37 Z9 37 U1 1 U2 12 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 APR 11 PY 2008 VL 377 IS 5 BP 1498 EP 1517 DI 10.1016/j.jmb.2008.01.087 PG 20 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 288IK UT WOS:000254979500017 PM 18329666 ER PT J AU Smith, B Sigurdsson, S Abel, T AF Smith, Britton Sigurdsson, Steinn Abel, Tom TI Metal cooling in simulations of cosmic structure formation SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE methods : numerical; stars : formation ID STAR-FORMING CLOUDS; 1ST STARS; PRIMORDIAL GAS; POPULATION III; EARLY UNIVERSE; MASSIVE STARS; CDM UNIVERSE; BLACK-HOLES; FRAGMENTATION; COSMOLOGY AB The addition of metals to any gas can significantly alter its evolution by increasing the rate of radiative cooling. In star-forming environments, enhanced cooling can potentially lead to fragmentation and the formation of low-mass stars, where metal-free gas-clouds have been shown not to fragment. Adding metal cooling to numerical simulations has traditionally required a choice between speed and accuracy. We introduce a method that uses the sophisticated chemical network of the photoionization software, CLOUDY, to include radiative cooling from a complete set of metals up to atomic number 30 (Zn) that can be used with large-scale three-dimensional hydrodynamic simulations. Our method is valid over an extremely large temperature range (10 <= T <= 10(8) K), up to hydrogen number densities of 10(12) cm(-3). At this density, a sphere of 1 M-circle dot has a radius of roughly 40 au. We implement our method in the adaptive mesh refinement hydrodynamic/N-body code, ENZO. Using cooling rates generated with this method, we study the physical conditions that led to the transition from Population III to Population II star formation. While C, O, Fe and Si have been previously shown to make the strongest contribution to the cooling in low-metallicity gas, we find that up to 40 per cent of the metal cooling comes from fine-structure emission by S, when solar abundance patterns are present. At metallicities, Z >= 10(-4) Z(circle dot), regions of density and temperature exist where gas is both thermally unstable and has a cooling time less than its dynamical time. We identify these doubly unstable regions as the most inducive to fragmentation. At high redshifts, the cosmic microwave background inhibits efficient cooling at low temperatures and, thus, reduces the size of the doubly unstable regions, making fragmentation more difficult. C1 [Smith, Britton; Sigurdsson, Steinn] Penn State Univ, University Pk, PA 16802 USA. [Abel, Tom] Stanford Linear Accelerator Ctr, Kavli Inst Particle Astrophys & Cosmol, Menlo Pk, CA 94025 USA. RP Smith, B (reprint author), Penn State Univ, 525 Davey Lab, University Pk, PA 16802 USA. EM britton@astro.psu.edu; steinn@astro.psu.edu; tabel@stanford.edu OI Sigurdsson, Steinn/0000-0002-8187-1144 NR 51 TC 74 Z9 74 U1 0 U2 0 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD APR 11 PY 2008 VL 385 IS 3 BP 1443 EP 1454 DI 10.1111/j.1365-2966.2008.12922.x PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 282YW UT WOS:000254604600024 ER PT J AU Panaitescu, A AF Panaitescu, A. TI GeV emission from gamma-ray burst afterglows SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE radiation mechanisms : non-thermal; shock waves; gamma-rays : bursts ID SWIFT XRT DATA; HIGH-ENERGY; THEORETICAL IMPLICATIONS; GRB AFTERGLOWS; LIGHT-CURVE; FLARES; PHOTONS; OUTFLOW; ESCAPE; BREAKS AB We calculate the GeV afterglow emission expected from a few mechanisms related to gamma-ray bursts (GRBs) and their afterglows. Given the brightness of the early X-ray afterglow emission measured by Swift/X-Ray Telescope, Gamma-ray Large Area Space Telescope (GLAST)/Large Area Telescope (LAT) should detect the self-Compton emission from the forward shock driven by the GRB ejecta into the circumburst medium. Novel features discovered by Swift in X-ray afterglows (plateaus and chromatic light-curve breaks) indicate the existence of a pair-enriched, relativistic outflow located behind the forward shock. Bulk and inverse-Compton upscattering of the prompt GRB emission by such outflows provide another source of GeV afterglow emission detectable by LAT. The large-angle burst emission and synchrotron forward-shock emission are, most likely, too dim at high photon energy to be observed by LAT. The spectral slope of the high-energy afterglow emission and its decay rate (if it can be measured) allow the identification of the mechanism producing the GeV transient emission following GRBs. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Panaitescu, A (reprint author), Los Alamos Natl Lab, MS D466, Los Alamos, NM 87545 USA. EM alin@lanl.gov NR 35 TC 10 Z9 10 U1 0 U2 0 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD APR 11 PY 2008 VL 385 IS 3 BP 1628 EP 1634 DI 10.1111/j.1365-2966.2008.12950.x PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 282YW UT WOS:000254604600042 ER PT J AU Hull, G Du, S Niedermayr, T Payne, S Cherepy, N Drobshoff, A Fabris, L AF Hull, G. Du, S. Niedermayr, T. Payne, S. Cherepy, N. Drobshoff, A. Fabris, L. TI Light collection optimization in scintillator-based gamma-ray spectrometers SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE gamma radiation detectors; scintillators; scintillator detectors; ray-trace modeling; BGO energy resolution; diffuse reflectors ID ENERGY RESOLUTION; DETECTORS; CRYSTALS; CAMERA AB Scintillator-based gamma-ray detectors are being actively pursued for homeland security applications. A key property of such detectors is their energy resolution which enables faster detection and more precise identification of gamma-ray sources. In order to obtain the best energy resolution with a given scintillator material, it is crucial to collect the largest fraction possible of the light emitted after gamma-ray absorption. Different techniques to maximize the light collection efficiency were investigated and tested experimentally. In particular, the effect of the scintillator geometry has been simulated with Detect2000. Also, a number of wrapping materials have been tested for their reflectivity and their performance in terms of improving the energy resolution in a BGO-based gamma-ray detector. The best results were obtained with a tapered cylinder geometry and the GORE DRP tape. (C) 2008 Elsevier B.V. All rights reserved. C1 [Hull, G.; Du, S.; Niedermayr, T.; Payne, S.; Cherepy, N.; Drobshoff, A.; Fabris, L.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Payne, S (reprint author), Lawrence Livermore Natl Lab, L-181,7000 East Ave, Livermore, CA 94550 USA. EM payne3@llnl.gov; cherepy1@llnl.gov RI Cherepy, Nerine/F-6176-2013; Fabris, Lorenzo/E-4653-2013 OI Cherepy, Nerine/0000-0001-8561-923X; Fabris, Lorenzo/0000-0001-5605-5615 NR 10 TC 13 Z9 13 U1 1 U2 15 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 11 PY 2008 VL 588 IS 3 BP 384 EP 388 DI 10.1016/j.nima.2008.01.092 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 296PL UT WOS:000255558200012 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 Arnoud, Y Arov, M Arthaud, M Askew, A Asman, B Jesus, ACSA Atramentov, O Autermann, C Avila, C Ay, C Badaud, F Baden, A Bagby, L Baldin, B Bandurin, DV Banerjee, S Banerjee, P Barberis, E Barfuss, AF Bargassa, P Baringer, P Barreto, J Bartlett, JF Bassler, U Bauer, D Beale, S Bean, A Begalli, M Begel, M Belanger-Champagne, C Bellantoni, L Bellavance, A Benitez, JA Beri, SB Bernardi, G Bernhard, R Bertram, I Besancon, M Beuselinck, R Bezzubov, VA Bhat, PC Bhatnagar, V Biscarat, C Blazey, G Blekman, F Blessing, S Bloch, D Bloom, K Boehnlein, A Boline, D Bolton, TA Borissov, G Bose, T Brandt, A Brock, R Brooijmans, G Bross, A Brown, D Buchanan, NJ Buchholz, D Buehler, M Buescher, V Bunichev, V Burdin, S Burke, S Burnett, TH Buszello, CP Butler, JM Calfayan, P Calvet, S Cammin, J Carvalho, W Casey, BCK Cason, NM Castilla-Valdez, H Chakrabarti, S Chakraborty, D Chan, KM Chan, K Chandra, A Charles, F Cheu, E Chevallier, F Cho, DK Choi, S Choudhary, B Christofek, L Christoudias, T Cihangir, S Claes, D Coadou, Y Cooke, M Cooper, WE Corcoran, M Couderc, F Cousinou, MC Crepe-Renaudin, S Cutts, D Cwiok, M da Motta, H Das, A Davies, G De, K de Jong, SJ De La Cruz-Burelo, E Martins, CD Degenhardt, JD Deliot, F Demarteau, M Demina, R Denisov, D Denisov, SP Desai, S Diehl, HT Diesburg, M Dominguez, A Dong, H Dudko, LV Duflot, L Dugad, SR Dugad, SR Duggan, D Duperrin, A Dyer, J Dyshkant, A Eads, M Edmunds, D Ellison, J Elvira, VD Enari, Y Eno, S Ermolov, P Evans, H Evdokimov, A Evdokimov, VN Ferapontov, AV Ferbel, T Fiedler, F Filthaut, F Fisher, W Fisk, HE Ford, M Fortner, M Fox, H Fu, S Fuess, S Gadfort, T Galea, CF Gallas, E Galyaev, E Garcia, C Garcia-Bellido, A Gavrilov, V Gay, P Geist, W Gele, D Gerber, CE Gershtein, Y Gillberg, D Ginther, G Gollub, N Gomez, B Goussiou, A Grannis, PD Greenlee, H Greenwood, ZD Gregores, EM Grenier, G Gris, P Grivaz, JF Grohsjean, A Grunendahl, S Grunewald, MW Guo, J Guo, F Gutierrez, P Gutierrez, G Haas, A Hadley, NJ Haefner, P Hagopian, S Haley, J Hall, I Hall, RE Han, L Hanagaki, K Hansson, P Harder, K Harel, A Harrington, R Hauptman, JM Hauser, R Hays, J Hebbeker, T Hedin, D Hegeman, JG Heinmiller, JM Heinson, AP Heintz, U Hensel, C Herner, K Hesketh, G Hildreth, MD Hirosky, R Hobbs, JD Hoeneisen, B Hoeth, H Hohlfeld, M Hong, SJ Hossain, S Houben, P Hu, Y Hubacek, Z Hynek, V Iashvili, I Illingworth, R Ito, AS Jabeen, S Jaffre, M Jain, S Jakobs, K Jarvis, C Jesik, R Johns, K Johnson, C Johnson, M Jonckheere, A Jonsson, P Juste, A Kafer, D Kajfasz, E Kalinin, AM Kalk, JR Kalk, JM Kappler, S Karmanov, D Kasper, P Katsanos, I Kau, D Kaur, R Kaushik, V Kehoe, R Kermiche, S Khalatyan, N Khanov, A Kharchilava, A Kharzheev, YM Khatidze, D Kim, H Kim, TJ Kirby, MH Kirsch, M Klima, B Kohli, JM Konrath, JP Kopal, M Korablev, VM Kozelov, AV Krop, D Kuhl, T Kumar, A Kunori, S Kupco, A Kurca, T Kvita, J Lacroix, F Lam, D Lammers, S Landsberg, G Lebrun, P Lee, WM Leflat, A Lehner, F Lellouch, J Leveque, J Lewis, P Li, J Li, QZ Li, L Lietti, SM Lima, JGR Lincoln, D Linnemann, J Lipaev, VV Lipton, R Liu, Y Liu, Z Lobo, L Lobodenko, A Lokajicek, M Love, P Lubatti, HJ Lyon, AL Maciel, AKA Mackin, D Madaras, RJ Mattig, P Magass, C Magerkurth, A Mal, PK Malbouisson, HB Malik, S Malyshev, VL Mao, HS Maravin, Y Martin, B McCarthy, R Melnitchouk, A Mendes, A Mendoza, L Mercadante, PG Merkin, M Merritt, KW Meyer, J Meyer, A Millet, T Mitrevski, J Molina, J Mommsen, RK Mondal, NK Moore, RW Moulik, T Muanza, GS Mulders, M Mulhearn, M Mundal, O Mundim, L Nagy, E Naimuddin, M Narain, M Naumann, NA Neal, HA Negret, JP Neustroev, P Nilsen, H Nogima, H Nomerotski, A Novaes, SF Nunnemann, T O'Dell, V O'Neil, DC Obrant, G Ochando, C Onoprienko, D Oshima, N Osta, J Otec, R Garzon, GJY Owen, M Padley, P Pangilinan, M Parashar, N Park, SJ Park, SK Parsons, J Partridge, R Parua, N Patwa, A Pawloski, G Penning, B Perfilov, M Peters, K Peters, Y Petroff, P Petteni, M Piegaia, R Piper, J Pleier, MA Podesta-Lerma, PLM Podstavkov, VM Pogorelov, Y Pol, ME Polozov, P Pope, BG Popov, AV Potter, C da Silva, WLP Prosper, HB Protopopescu, S Qian, J Quadt, A Quinn, B Rakitine, A Rangel, MS Ranjan, K Ratoff, PN Renkel, P Reucroft, S Rich, P Rijssenbeek, M Ripp-Baudot, I Rizatdinova, F Robinson, S Rodrigues, RF Rominsky, M Royon, C Rubinov, P Ruchti, R Safronov, G Sajot, G Sanchez-Hernandez, A Sanders, MP Santoro, A Savage, G Sawyer, L Scanlon, T Schaile, D Schamberger, RD Scheglov, Y Schellman, H Schieferdecker, P Schliephake, T Schwanenberger, C Schwartzman, A Schwienhorst, R Sekaric, J Severini, H Shabalina, E Shamim, M Shary, V Shchukin, AA Shivpuri, RK Siccardi, V Simak, V Sirotenko, V Skubic, P Slattery, P Smirnov, D Snow, J Snow, GR Snyder, S Soldner-Rembold, S Sonnenschein, L Sopczak, A Sosebee, M Soustruznik, K Souza, M Spurlock, B Stark, J Steele, J Stolin, V Stoyanova, DA Strandberg, J Strandberg, S Strang, MA Strauss, M Strauss, E Strohmer, R Strom, D Stutte, L Sumowidagdo, S Svoisky, P Sznajder, A Talby, M Tamburello, P Tanasijczuk, A Taylor, W Temple, J Tiller, B Tissandier, F Titov, M Tokmenin, VV Toole, T Torchiani, I Trefzger, T Tsybychev, D Tuchming, B Tully, C Tuts, PM Unalan, R Uvarov, S Uvarov, L Uzunyan, S Vachon, B van den Berg, PJ Van Kooten, R van Leeuwen, WM Varelas, N Varnes, EW Vasilyev, IA Vaupel, M Verdier, P Vertogradov, LS Verzocchi, M Villeneuve-Seguier, F Vint, P Vokac, P Von Toerne, E Voutilainen, M Wagner, R Wahl, HD Wang, L Wang, MHLS Warchol, J Watts, G Wayne, M Weber, M Weber, G Wenger, A Wermes, N 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 Zatserklyaniy, A 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. Arnoud, Y. Arov, M. Arthaud, M. Askew, A. Asman, B. Jesus, A. C. S. Assis Atramentov, O. Autermann, C. Avila, C. Ay, C. Badaud, F. Baden, A. Bagby, L. Baldin, B. Bandurin, D. V. Banerjee, S. Banerjee, P. 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. Borissov, G. Bose, T. Brandt, A. Brock, R. Brooijmans, G. Bross, A. Brown, D. Buchanan, N. J. Buchholz, D. Buehler, M. Buescher, V. Bunichev, V. Burdin, S. Burke, S. Burnett, T. H. Buszello, C. P. Butler, J. M. Calfayan, P. Calvet, S. Cammin, J. Carvalho, W. Casey, B. C. K. Cason, N. M. Castilla-Valdez, H. Chakrabarti, S. Chakraborty, D. Chan, K. M. Chan, K. Chandra, A. Charles, F. Cheu, E. Chevallier, F. Cho, D. K. Choi, S. Choudhary, B. Christofek, L. Christoudias, T. Cihangir, S. Claes, D. Coadou, Y. Cooke, M. Cooper, W. E. Corcoran, M. Couderc, F. Cousinou, M. -C. Crepe-Renaudin, S. Cutts, D. Cwiok, M. da Motta, H. Das, A. Davies, G. De, K. de Jong, S. J. De La Cruz-Burelo, E. Martins, C. De Oliveira Degenhardt, J. D. Deliot, F. Demarteau, M. Demina, R. Denisov, D. Denisov, S. P. Desai, S. Diehl, H. T. Diesburg, M. Dominguez, A. Dong, H. Dudko, L. V. Duflot, L. Dugad, S. R. Dugad, S. R. Duggan, D. Duperrin, A. Dyer, J. Dyshkant, A. Eads, M. Edmunds, D. Ellison, J. Elvira, V. D. Enari, Y. Eno, S. Ermolov, P. Evans, H. Evdokimov, A. Evdokimov, V. N. Ferapontov, A. V. Ferbel, T. Fiedler, F. Filthaut, F. Fisher, W. Fisk, H. E. Ford, M. Fortner, M. Fox, H. Fu, S. Fuess, S. Gadfort, T. Galea, C. F. Gallas, E. Galyaev, E. Garcia, C. Garcia-Bellido, A. Gavrilov, V. Gay, P. Geist, W. Gele, D. Gerber, C. E. Gershtein, Y. Gillberg, D. Ginther, G. Gollub, N. Gomez, B. Goussiou, A. Grannis, P. D. Greenlee, H. Greenwood, Z. D. Gregores, E. M. Grenier, G. Gris, Ph. Grivaz, J. -F. Grohsjean, A. Gruenendahl, S. Gruenewald, M. W. Guo, J. Guo, F. Gutierrez, P. Gutierrez, G. Haas, A. Hadley, N. J. Haefner, P. Hagopian, S. Haley, J. Hall, I. Hall, R. E. Han, L. Hanagaki, K. Hansson, P. Harder, K. Harel, A. Harrington, R. Hauptman, J. M. Hauser, R. Hays, J. Hebbeker, T. Hedin, D. Hegeman, J. G. Heinmiller, J. M. Heinson, A. P. Heintz, U. Hensel, C. Herner, K. Hesketh, G. Hildreth, M. D. Hirosky, R. Hobbs, J. D. Hoeneisen, B. Hoeth, H. Hohlfeld, M. Hong, S. J. Hossain, S. Houben, P. Hu, Y. Hubacek, Z. Hynek, V. Iashvili, I. Illingworth, R. Ito, A. S. Jabeen, S. Jaffre, M. Jain, S. Jakobs, K. Jarvis, C. Jesik, R. Johns, K. Johnson, C. Johnson, M. Jonckheere, A. Jonsson, P. Juste, A. Kaefer, D. Kajfasz, E. Kalinin, A. M. Kalk, J. R. Kalk, J. M. Kappler, S. Karmanov, D. Kasper, P. Katsanos, I. Kau, D. Kaur, R. Kaushik, V. Kehoe, R. Kermiche, S. Khalatyan, N. Khanov, A. Kharchilava, A. Kharzheev, Y. M. Khatidze, D. Kim, H. Kim, T. J. Kirby, M. H. Kirsch, M. Klima, B. Kohli, J. M. Konrath, J. -P. Kopal, M. Korablev, V. M. Kozelov, A. V. Krop, D. Kuhl, T. Kumar, A. Kunori, S. Kupco, A. Kurca, T. Kvita, J. Lacroix, F. Lam, D. Lammers, S. Landsberg, G. Lebrun, P. Lee, W. M. Leflat, A. Lehner, F. Lellouch, J. Leveque, J. Lewis, P. Li, J. Li, Q. Z. Li, L. Lietti, S. M. Lima, J. G. R. Lincoln, D. Linnemann, J. Lipaev, V. V. Lipton, R. Liu, Y. Liu, Z. Lobo, L. Lobodenko, A. Lokajicek, M. Love, P. Lubatti, H. J. Lyon, A. L. Maciel, A. K. A. Mackin, D. Madaras, R. J. Maettig, P. Magass, C. Magerkurth, A. Mal, P. K. Malbouisson, H. B. Malik, S. Malyshev, V. L. Mao, H. S. Maravin, Y. Martin, B. McCarthy, R. Melnitchouk, A. Mendes, A. Mendoza, L. Mercadante, P. G. Merkin, M. Merritt, K. W. Meyer, J. Meyer, A. Millet, T. Mitrevski, J. Molina, J. Mommsen, R. K. Mondal, N. K. Moore, R. W. Moulik, T. Muanza, G. S. Mulders, M. Mulhearn, M. Mundal, O. Mundim, L. Nagy, E. Naimuddin, M. Narain, M. Naumann, N. A. Neal, H. A. Negret, J. P. Neustroev, P. Nilsen, H. Nogima, H. Nomerotski, A. Novaes, S. F. Nunnemann, T. O'Dell, V. O'Neil, D. C. Obrant, G. Ochando, C. Onoprienko, D. Oshima, N. Osta, J. Otec, R. Otero Y Garzon, G. J. Owen, M. Padley, P. Pangilinan, M. Parashar, N. Park, S. -J. Park, S. K. Parsons, J. Partridge, R. Parua, N. Patwa, A. Pawloski, G. Penning, B. Perfilov, M. Peters, K. Peters, Y. Petroff, P. Petteni, M. Piegaia, R. Piper, J. Pleier, M. -A. Podesta-Lerma, P. L. M. Podstavkov, V. M. Pogorelov, Y. Pol, M. -E. Polozov, P. Pope, B. G. Popov, A. V. Potter, C. da Silva, W. L. Prado Prosper, H. B. Protopopescu, S. Qian, J. Quadt, A. Quinn, B. Rakitine, A. Rangel, M. S. Ranjan, K. Ratoff, P. N. Renkel, P. Reucroft, S. Rich, P. Rijssenbeek, M. Ripp-Baudot, I. Rizatdinova, F. Robinson, S. Rodrigues, R. F. Rominsky, M. Royon, C. Rubinov, P. Ruchti, R. Safronov, G. Sajot, G. Sanchez-Hernandez, A. Sanders, M. P. Santoro, A. Savage, G. Sawyer, L. Scanlon, T. Schaile, D. Schamberger, R. D. Scheglov, Y. Schellman, H. Schieferdecker, P. Schliephake, T. Schwanenberger, C. Schwartzman, A. Schwienhorst, R. Sekaric, J. Severini, H. Shabalina, E. Shamim, M. Shary, V. Shchukin, A. A. Shivpuri, R. K. Siccardi, V. Simak, V. Sirotenko, V. Skubic, P. Slattery, P. Smirnov, D. Snow, J. Snow, G. R. Snyder, S. Soeldner-Rembold, S. Sonnenschein, L. Sopczak, A. Sosebee, M. Soustruznik, K. Souza, M. Spurlock, B. Stark, J. Steele, J. Stolin, V. Stoyanova, D. A. Strandberg, J. Strandberg, S. Strang, M. A. Strauss, M. Strauss, E. Stroehmer, R. Strom, D. Stutte, L. Sumowidagdo, S. Svoisky, P. Sznajder, A. Talby, M. Tamburello, P. Tanasijczuk, A. Taylor, W. Temple, J. Tiller, B. Tissandier, F. Titov, M. Tokmenin, V. V. Toole, T. Torchiani, I. Trefzger, T. Tsybychev, D. Tuchming, B. Tully, C. Tuts, P. M. Unalan, R. Uvarov, S. Uvarov, L. Uzunyan, S. Vachon, B. van den Berg, P. J. Van Kooten, R. van Leeuwen, W. 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, M. Weber, G. 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. Zatserklyaniy, A. Zeitnitz, C. Zhao, T. Zhou, B. Zhu, J. Zielinski, M. Zieminska, D. Zieminski, A. Zivkovic, L. Zutshi, V. Zverev, E. G. CA D0 Collaboration TI Measurement of the forward-backward charge asymmetry in top-quark pair production SO PHYSICAL REVIEW LETTERS LA English DT Article AB We present the first measurement of the integrated forward-backward charge asymmetry in top-quark-top-antiquark pair (t (t) over bar) production in proton-antiproton (p (p) over bar) collisions in the lepton+jets final state. Using a b-jet tagging algorithm and kinematic reconstruction assuming t (t) over bar +X production and decay, a sample of 0.9 fb(-1) of data, collected by the D0 experiment at the Fermilab Tevatron Collider, is used to measure the asymmetry for different jet multiplicities. The result is also used to set upper limits on t (t) over bar +X production via a Z' resonance. C1 Joint Inst Nucl Res, Dubna, Russia. [Piegaia, R.; Tanasijczuk, A.] Univ Buenos Aires, Buenos Aires, DF, Argentina. [Alves, G. A.; Barreto, J.; da Motta, H.; Maciel, A. K. A.; Rangel, M. S.; Souza, M.] Ctr Brasileiro Pesquisas Fis, LAFEX, Rio De Janeiro, Brazil. [Jesus, A. C. S. Assis; Begalli, M.; Carvalho, W.; Martins, C. De Oliveira; Malbouisson, H. B.; Molina, J.; Mundim, L.; Nogima, H.; da Silva, W. L. Prado; Rodrigues, R. F.; Santoro, A.; Sznajder, A.] Univ Estado Rio de Janeiro, Rio De Janeiro, Brazil. [Gregores, E. M.] Univ Fed ABC, Santo Andre, Brazil. [Lietti, S. M.; Mercadante, P. G.; Novaes, S. F.] Univ Estadual Paulista, Inst Fis Teor, BR-01405 Sao Paulo, Brazil. [Aguilo, E.; Beale, S.; Chan, K.; Coadou, Y.; Gillberg, D.; Liu, Z.; Moore, R. W.; O'Neil, D. C.; Taylor, W.; Vachon, B.] Univ Alberta, Edmonton, AB, Canada. [Aguilo, E.; Beale, S.; Chan, K.; Coadou, Y.; Gillberg, D.; Liu, Z.; Moore, R. W.; O'Neil, D. C.; Taylor, W.; Vachon, B.] Simon Fraser Univ, Burnaby, BC V5A 1S6, Canada. [Aguilo, E.; Beale, S.; Chan, K.; Coadou, Y.; Gillberg, D.; Liu, Z.; Moore, R. W.; O'Neil, D. C.; Taylor, W.; Vachon, B.] York Univ, Toronto, ON M3J 2R7, Canada. [Aguilo, E.; Beale, S.; Chan, K.; Coadou, Y.; Gillberg, D.; Liu, Z.; Moore, R. W.; O'Neil, D. C.; Taylor, W.; Vachon, B.] McGill Univ, Quebec City, PQ, Canada. [Han, L.; Liu, Y.] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Avila, C.; Gomez, B.; Mendoza, L.; Negret, J. P.] Univ Los Andes, Bogota, Colombia. [Hynek, V.; Kvita, J.; Soustruznik, K.] Charles Univ Prague, Ctr Particle Phys, Prague, Czech Republic. [Hubacek, Z.; Otec, R.; Simak, V.; Vokac, P.] Czech Tech Univ, CR-16635 Prague, Czech Republic. [Kupco, A.; Lokajicek, M.] Acad Sci Czech Republic, Inst Phys, Ctr Particle Phys, Prague, Czech Republic. [Hoeneisen, B.] Univ San Francisco Quito, Quito, Ecuador. [Badaud, F.; Gris, Ph.; Lacroix, F.; Tissandier, F.] Univ Clermont Ferrand, IN2P3, Phys Corpusculaire Lab, CNRS, Clermont Ferrand, France. [Arnoud, Y.; Chevallier, F.; Crepe-Renaudin, S.; Martin, B.; Sajot, G.; Stark, J.] Univ Grenoble 1, CNRS, IN2P3, Lab Phys Subatom & Cosmol, Grenoble, France. [Barfuss, A. -F.; Cousinou, M. -C.; Duperrin, A.; Kajfasz, E.; Kermiche, S.; Mendes, A.; Nagy, E.; Talby, M.] Univ Aix Marseille 2, IN2P3, CNRS, CPPM, Marseille, France. [Calvet, S.; Duflot, L.; Grivaz, J. -F.; Jaffre, M.; Ochando, C.; Petroff, P.] CNRS, IN2P3, CPPM, Orsay, France. [Calvet, S.; Duflot, L.; Grivaz, J. -F.; Jaffre, M.; Ochando, C.; Petroff, P.] Univ Paris 11, Orsay, France. [Andrieu, B.; Bernardi, G.; Lellouch, J.; Sanders, M. P.; Sonnenschein, L.] Univ Paris 06, IN2P3, CNRS, LPNHE, Paris, France. [Andrieu, B.; Bernardi, G.; Lellouch, J.; Sanders, M. P.; Sonnenschein, L.] Univ Paris 07, Paris, France. [Arthaud, M.; Bassler, U.; Besancon, M.; Chakrabarti, S.; Couderc, F.; Deliot, F.; Royon, C.; Shary, V.; Titov, M.; Tuchming, B.] CEA, Serv Phys Particles, DAPNIA, Saclay, France. [Bloch, D.; Geist, W.; Gele, D.; Ripp-Baudot, I.; Siccardi, V.] Univ Strasbourg 1, IPHC, Strasbourg, France. [Bloch, D.; Geist, W.; Gele, D.; Ripp-Baudot, I.; Siccardi, V.] Univ Haute Alsace, CNRS, IN2P3, Strasbourg, France. [Biscarat, C.; Grenier, G.; Kurca, T.; Lebrun, P.; Millet, T.; Muanza, G. S.; Verdier, P.] Univ Lyon 1, IPNL, IN2P3, CNRS, Villeurbanne, France. [Biscarat, C.; Grenier, G.; Kurca, T.; Lebrun, P.; Millet, T.; Muanza, G. S.; Verdier, P.] Univ Lyon, Lyon, France. [Autermann, C.; Hebbeker, T.; Kaefer, D.; Kappler, S.; Kirsch, M.; Magass, C.; Meyer, A.] Rhein Westfal TH Aachen, Phys Inst A 3, Aachen, Germany. [Buescher, V.; Hohlfeld, M.; Mundal, O.; Pleier, M. -A.; Wermes, N.] Univ Bonn, Inst Phys, D-5300 Bonn, Germany. [Bernhard, R.; Fox, H.; Jakobs, K.; Konrath, J. -P.; Nilsen, H.; Penning, B.; Torchiani, I.] Univ Freiburg, Inst Phys, Freiburg, Germany. [Ay, C.; Fiedler, F.; Kuhl, T.; Trefzger, T.; Weber, G.] Johannes Gutenberg Univ Mainz, Inst Phys, D-6500 Mainz, Germany. [Calfayan, P.; Grohsjean, A.; Haefner, P.; Nunnemann, T.; Schaile, D.; Schieferdecker, P.; Stroehmer, R.; Tiller, B.] Univ Munich, Munich, Germany. [Hoeth, H.; Maettig, P.; Peters, Y.; Schliephake, T.; Vaupel, M.; Wicke, D.; Zeitnitz, C.] Univ Wuppertal, Fachbereich Phys, Wuppertal, Germany. [Beri, S. B.; Bhatnagar, V.; Kaur, R.; Kohli, J. M.] Panjab Univ, Chandigarh 160014, India. [Choudhary, B.; Ranjan, K.; Shivpuri, R. K.] Univ Delhi, Delhi 110007, India. [Acharya, B. S.; Banerjee, S.; Dugad, S. R.; Mondal, N. K.] Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. [Cwiok, M.; Gruenewald, M. W.] Univ Coll Dublin, Dublin 2, Ireland. [Ahn, S. H.; Hong, S. J.; Kim, T. J.; Park, S. K.] Korea Univ, Korea Detector Lab, Seoul, South Korea. [Choi, S.; Kim, H.] Sungkyunkwan Univ, Suwon, South Korea. [Castilla-Valdez, H.; Sanchez-Hernandez, A.] CINVESTAV, Mexico City 14000, DF, Mexico. [Hegeman, J. G.; Houben, P.; van den Berg, P. J.; van Leeuwen, W. M.] NIKHEF, FOM Inst, Amsterdam, Netherlands. [Hegeman, J. G.; Houben, P.; van den Berg, P. J.; van Leeuwen, W. M.] Univ Amsterdam, NIKHEF, Amsterdam, Netherlands. [Anastasoaie, M.; Ancu, L. S.; de Jong, S. J.; Filthaut, F.; Galea, C. F.; Naumann, N. A.] Radboud Univ Nijmegen, NIKHEF, NL-6525 ED Nijmegen, Netherlands. [Gavrilov, V.; Polozov, P.; Safronov, G.; Stolin, V.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Bunichev, V.; Dudko, L. V.; Ermolov, P.; Karmanov, D.; Leflat, A.; Merkin, M.; Perfilov, M.] Moscow MV Lomonosov State Univ, Moscow, Russia. [Bezzubov, V. A.; Denisov, S. P.; Evdokimov, V. N.; Korablev, V. M.; Kozelov, A. V.; Lipaev, V. V.; Popov, A. V.; Shchukin, A. A.; Stoyanova, D. A.; Vasilyev, I. A.] Inst High Energy Phys, Protvino, Russia. [Alkhazov, G.; Lobodenko, A.; Neustroev, P.; Obrant, G.; Scheglov, Y.; Uvarov, S.; Uvarov, L.] Petersburg Nucl Phys Inst, St Petersburg, Russia. [Asman, B.; Belanger-Champagne, C.; Gollub, N.; Hansson, P.; Strandberg, S.] Lund Univ, Lund, Sweden. [Asman, B.; Belanger-Champagne, C.; Gollub, N.; Hansson, P.; Strandberg, S.] Royal Inst Technol, Stockholm, Sweden. [Asman, B.; Belanger-Champagne, C.; Gollub, N.; Hansson, P.; Strandberg, S.] Stockholm Univ, S-10691 Stockholm, Sweden. [Asman, B.; Belanger-Champagne, C.; Gollub, N.; Hansson, P.; Strandberg, S.] Uppsala Univ, Uppsala, Sweden. [Lehner, F.] Univ Zurich, Inst Phys, Zurich, Switzerland. [Bertram, I.; Borissov, G.; Love, P.; Rakitine, A.; Ratoff, P. N.; Sopczak, A.] Univ Lancaster, Lancaster, England. [Bauer, D.; Beuselinck, R.; Blekman, F.; Buszello, C. P.; Christoudias, T.; Davies, G.; Hays, J.; Jesik, R.; Jonsson, P.; Lobo, L.; Petteni, M.; Robinson, S.; Scanlon, T.; Villeneuve-Seguier, F.; Vint, P.] Univ London Imperial Coll Sci Technol & Med, London, England. [Ford, M.; Harder, K.; Mommsen, R. K.; Owen, M.; Peters, K.; Rich, P.; Schwanenberger, C.; Soeldner-Rembold, S.; Wyatt, T. R.] Univ Manchester, Manchester, Lancs, England. [Anderson, S.; Burke, S.; Cheu, E.; Das, A.; Johns, K.; Leveque, J.; Tamburello, P.; Temple, J.; Varnes, E. W.] Univ Arizona, Tucson, AZ 85721 USA. [Madaras, R. J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Hall, R. E.] Calif State Univ Fresno, Fresno, CA 93740 USA. [Chandra, A.; Ellison, J.; Heinson, A. P.; Li, L.; Wimpenny, S. J.] Univ Calif Riverside, Riverside, CA 92521 USA. [Adams, T.; Askew, A.; Atramentov, O.; Blessing, S.; Buchanan, N. J.; Duggan, D.; Gershtein, Y.; Hagopian, S.; Karmanov, D.; Prosper, H. B.; Sekaric, J.; Sumowidagdo, S.; Wahl, H. D.] Florida State Univ, Tallahassee, FL 32306 USA. [Baldin, B.; Bartlett, J. F.; Bellantoni, L.; Bellavance, A.; Bhat, P. C.; Boehnlein, A.; Bross, A.; Casey, B. C. K.; Cihangir, S.; Cooper, W. E.; Demarteau, M.; Denisov, D.; Desai, S.; Diehl, H. T.; Diesburg, M.; Elvira, V. D.; Fisher, W.; Fisk, H. E.; Fu, S.; Fuess, S.; Gallas, E.; Greenlee, H.; Gruenendahl, S.; Gutierrez, G.; Hanagaki, K.; Illingworth, R.; Ito, A. S.; Johnson, M.; Juste, A.; Kasper, P.; Khalatyan, N.; Klima, B.; Lee, W. M.; Li, Q. Z.; Lincoln, D.; Lipton, R.; Lyon, A. L.; Mao, H. S.; Merritt, K. W.; Mulders, M.; Naimuddin, M.; O'Dell, V.; Oshima, N.; Rubinov, P.; Savage, G.; Sirotenko, V.; Stutte, L.; Verzocchi, M.; Wang, M. H. L. S.; Weber, M.; Yamada, R.; Yasuda, T.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Adams, M.; Gerber, C. E.; Heinmiller, J. M.; Shabalina, E.; Varelas, N.] Univ Illinois, Chicago, IL 60607 USA. [Bagby, L.; Blazey, G.; Chakraborty, D.; Dyshkant, A.; Fortner, M.; Hedin, D.; Lima, J. G. R.; Uzunyan, S.; Zatserklyaniy, A.; Zutshi, V.] No Illinois Univ, De Kalb, IL 60115 USA. [Andeen, T.; Anzelc, M. S.; Buchholz, D.; Kirby, M. H.; Schellman, H.; Strom, D.; Yacoob, S.; Youn, S. W.] Northwestern Univ, Evanston, IL 60208 USA. [Alton, A.; Evans, H.; Krop, D.; Parua, N.; Van Kooten, R.; Zieminska, D.] Indiana Univ, Bloomington, IN 47405 USA. [Cason, N. M.; Chan, K. M.; Galyaev, E.; Goussiou, A.; Hildreth, M. D.; Lam, D.; Mal, P. K.; Osta, J.; Pogorelov, Y.; Ruchti, R.; Smirnov, D.; Svoisky, P.; Warchol, J.; Wayne, M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Parashar, N.] Purdue Univ Calumet, Hammond, IN 46323 USA. [Hauptman, J. M.] Iowa State Univ Sci & Technol, Ames, IA 50011 USA. [Baringer, P.; Bean, A.; Hensel, C.; Moulik, T.; Wilson, G. W.] Univ Kansas, Lawrence, KS 66045 USA. [Ahsan, M.] Kansas State Univ, Manhattan, KS 66506 USA. [Arov, M.; Greenwood, Z. D.; Kalk, J. M.; Sawyer, L.; Steele, J.; Wobisch, M.] Louisiana Tech Univ, Ruston, LA 71272 USA. [Baden, A.; Eno, S.; Hadley, N. J.; Jarvis, C.; Kunori, S.; Toole, T.; Wang, L.; Wetstein, M.; Yan, M.] Univ Maryland, College Pk, MD 20742 USA. [Boline, D.; Butler, J. M.; Cho, D. K.; Heintz, U.; Jabeen, S.] Boston Univ, Boston, MA 02215 USA. [Alverson, G.; Barberis, E.; Harrington, R.; Hesketh, G.; Reucroft, S.; Wood, D. R.] Northeastern Univ, Boston, MA 02115 USA. [De La Cruz-Burelo, E.; Degenhardt, J. D.; Magerkurth, A.; Neal, H. A.; Qian, J.; Strandberg, J.; Zhou, B.] Univ Michigan, Ann Arbor, MI 48109 USA. [Abolins, M.; Benitez, J. A.; Brock, R.; Dyer, J.; Edmunds, D.; Hall, I.; Hauser, R.; Kalk, J. R.; Linnemann, J.; Piper, J.; Pope, B. G.; Schwienhorst, R.; Unalan, R.] Michigan State Univ, E Lansing, MI 48824 USA. [Melnitchouk, A.; Quinn, B.] Univ Mississippi, University, MS 38677 USA. [Bloom, K.; Claes, D.; Dominguez, A.; Eads, M.] Univ Nebraska, Lincoln, NE 68588 USA. [Haley, J.; Schwartzman, A.; Tully, C.; Wagner, R.] Princeton Univ, Princeton, NJ 08544 USA. [Iashvili, I.; Kharchilava, A.; Kumar, A.; Strang, M. A.] SUNY Buffalo, Buffalo, NY 14260 USA. [Brooijmans, G.; Haas, A.; Johnson, C.; Katsanos, I.; Khatidze, D.; Lammers, S.; Mitrevski, J.; Mulhearn, M.; Parsons, J.; Tuts, P. M.; Zivkovic, L.] Columbia Univ, New York, NY 10027 USA. [Begel, M.; Cammin, J.; Demina, R.; Ferbel, T.; Garcia, C.; Ginther, G.; Harel, A.; Park, S. -J.; Slattery, P.; Zielinski, M.] Univ Rochester, Rochester, NY 14627 USA. [Dong, H.; Grannis, P. D.; Guo, J.; Guo, F.; Herner, K.; Hobbs, J. D.; Hu, Y.; McCarthy, R.; Rijssenbeek, M.; Schamberger, R. D.; Strauss, E.; Tsybychev, D.; Zhu, J.] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Evdokimov, A.; Patwa, A.; Protopopescu, S.; Snyder, S.; Yip, K.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Snow, J.] Langston Univ, Langston, OK 73050 USA. [Abbott, B.; Gutierrez, P.; Hossain, S.; Jain, S.; Kopal, M.; Rominsky, M.; Severini, H.; Skubic, P.; Strauss, M.] Univ Oklahoma, Norman, OK 73019 USA. [Kharchilava, A.; Rizatdinova, F.] Oklahoma State Univ, Stillwater, OK 74078 USA. [Bose, T.; Christofek, L.; Cutts, D.; Enari, Y.; Landsberg, G.; Narain, M.; Pangilinan, M.; Partridge, R.; Xie, Y.] Brown Univ, Providence, RI 02912 USA. [Brandt, A.; De, K.; Kaushik, V.; Li, J.; Sosebee, M.; Spurlock, B.; White, A.; Yu, J.] Univ Texas Arlington, Arlington, TX 76019 USA. [Kehoe, R.; Renkel, P.] So Methodist Univ, Dallas, TX 75275 USA. [Bargassa, P.; Cooke, M.; Corcoran, M.; Mackin, D.; Padley, P.; Pawloski, G.] Rice Univ, Houston, TX 77005 USA. [Brown, D.; Buehler, M.; Hirosky, R.] Univ Virginia, Charlottesville, VA 22901 USA. [Burnett, T. H.; Gadfort, T.; Garcia-Bellido, A.; Lubatti, H. J.; Watts, G.; Zhao, T.] Univ Washington, Seattle, WA 98195 USA. RP Abazov, VM (reprint author), Joint Inst Nucl Res, Dubna, Russia. RI Ancu, Lucian Stefan/F-1812-2010; 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; Guo, Jun/O-5202-2015; Sznajder, Andre/L-1621-2016; Li, Liang/O-1107-2015; Bargassa, Pedrame/O-2417-2016; Nomerotski, Andrei/A-5169-2010; Shivpuri, R K/A-5848-2010; Gutierrez, Phillip/C-1161-2011; Dudko, Lev/D-7127-2012; Leflat, Alexander/D-7284-2012; Mundim, Luiz/A-1291-2012; Yip, Kin/D-6860-2013; De, Kaushik/N-1953-2013; Fisher, Wade/N-4491-2013; Perfilov, Maxim/E-1064-2012; Merkin, Mikhail/D-6809-2012; Novaes, Sergio/D-3532-2012; Mercadante, Pedro/K-1918-2012 OI Belanger-Champagne, Camille/0000-0003-2368-2617; Ancu, Lucian Stefan/0000-0001-5068-6723; Sharyy, Viatcheslav/0000-0002-7161-2616; Christoudias, Theodoros/0000-0001-9050-3880; KIM, Tae Jeong/0000-0001-8336-2434; Guo, Jun/0000-0001-8125-9433; Sznajder, Andre/0000-0001-6998-1108; Li, Liang/0000-0001-6411-6107; Bean, Alice/0000-0001-5967-8674; Bargassa, Pedrame/0000-0001-8612-3332; Dudko, Lev/0000-0002-4462-3192; Mundim, Luiz/0000-0001-9964-7805; Yip, Kin/0000-0002-8576-4311; De, Kaushik/0000-0002-5647-4489; Novaes, Sergio/0000-0003-0471-8549; NR 20 TC 188 Z9 188 U1 0 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 11 PY 2008 VL 100 IS 14 AR 142002 DI 10.1103/PhysRevLett.100.142002 PG 7 WC Physics, Multidisciplinary SC Physics GA 287UB UT WOS:000254940900019 ER PT J AU Boyle, PA Juttner, A Kenway, RD Sachrajda, CT Sasaki, S Soni, A Tweedie, RJ Zanotti, JM AF Boyle, P. A. Juettner, A. Kenway, R. D. Sachrajda, C. T. Sasaki, S. Soni, A. Tweedie, R. J. Zanotti, J. M. CA RBC UKQCD Collaborations TI Kl3 semileptonic form factor from (2+1)-flavor lattice QCD SO PHYSICAL REVIEW LETTERS LA English DT Article ID CHIRAL FERMIONS; DECAYS AB We present the first results for the K(l3) form factor from simulations with 2+1 flavors of dynamical domain wall quarks. Combining our result, namely, f(+)(0)=0.964(5) with the latest experimental results for K(l3) decays leads to vertical bar V(us)vertical bar=0.2249(14), reducing the uncertaintity in this important parameter. For the O(p(6)) term in the chiral expansion we obtain Delta f=-0.013(5). C1 [Boyle, P. A.; Kenway, R. D.; Tweedie, R. J.; Zanotti, J. M.] Univ Edinburgh, Sch Phys, Edinburgh EH9 3JZ, Midlothian, Scotland. [Juettner, A.] Johannes Gutenberg Univ Mainz, Inst Kernphys, D-55099 Mainz, Germany. [Sachrajda, C. T.] Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England. [Sasaki, S.] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. [Sasaki, S.] Univ Tokyo, Dept Phys, Tokyo 1130033, Japan. [Soni, A.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Boyle, PA (reprint author), Univ Edinburgh, Sch Phys, Edinburgh EH9 3JZ, Midlothian, Scotland. RI Zanotti, James/H-8128-2012 OI Zanotti, James/0000-0002-3936-1597 NR 25 TC 50 Z9 50 U1 1 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 11 PY 2008 VL 100 IS 14 AR 141601 DI 10.1103/PhysRevLett.100.141601 PG 4 WC Physics, Multidisciplinary SC Physics GA 287UB UT WOS:000254940900016 PM 18518021 ER PT J AU Hall, LJ Salem, MP Watari, T AF Hall, Lawrence J. Salem, Michael P. Watari, Taizan TI Quark and lepton masses from Gaussian landscapes SO PHYSICAL REVIEW LETTERS LA English DT Article ID COSMOLOGICAL CONSTANT AB The flavor structure of the standard model (SM) might arise from random selection on a landscape. We propose a class of simple models, "Gaussian landscapes," where Yukawa couplings derive from overlap integrals of Gaussian wave functions on extra-dimensions. Statistics of vacua are generated by scanning the peak positions of these zero-modes, giving probability distributions for all flavor observables. Gaussian landscapes can account for all observed flavor patterns with few free parameters. Although they give broad probability distributions, the predictions are correlated and accounting for measured parameters sharpens the distributions of future neutrino measurements. C1 [Hall, Lawrence J.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Hall, Lawrence J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Salem, Michael P.] CALTECH, Pasadena, CA 91125 USA. [Watari, Taizan] Univ Tokyo, Dept Phys, Tokyo 1130033, Japan. RP Hall, LJ (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. OI Watari, Taizan/0000-0002-8879-1008 NR 10 TC 14 Z9 14 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 11 PY 2008 VL 100 IS 14 AR 141801 DI 10.1103/PhysRevLett.100.141801 PG 4 WC Physics, Multidisciplinary SC Physics GA 287UB UT WOS:000254940900017 PM 18518022 ER PT J AU Kwon, KD Refson, K Sposito, G AF Kwon, Kideok D. Refson, Keith Sposito, Garrison TI Defect-induced photoconductivity in layered manganese oxides: A density functional theory study SO PHYSICAL REVIEW LETTERS LA English DT Article ID 1ST PRINCIPLES; VISIBLE-LIGHT; MNO2; NANOSHEETS; MECHANISM; OXIDATION; MODEL; FILMS; TIO2 AB Enhanced photoconductivity of layered Mn(IV)O(2) containing protonated Mn(IV) vacancy defects has been recently demonstrated, suggesting new technological possibilities for photoelectric conversion based on visible light harvesting. Using spin-polarized density functional theory, we provide the first direct evidence that such defects can indeed facilitate photoconductivity by (i) reducing the band-gap energy and (ii) separating electron and hole states. Our results thus support the proposition that nanosheet MnO(2) offers an attractive new material for a variety of photoconductivity applications. C1 [Kwon, Kideok D.; Sposito, Garrison] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Dept Geochem, Berkeley, CA 94720 USA. [Refson, Keith] STFC Rutherford Appleton Lab, Didcot OX11 1QX, Oxon, England. RP Kwon, KD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Dept Geochem, Berkeley, CA 94720 USA. EM kkwon@nature.berkeley.edu RI Refson, Keith/G-1407-2013; OI Refson, Keith/0000-0002-8715-5835 NR 29 TC 40 Z9 41 U1 6 U2 57 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 11 PY 2008 VL 100 IS 14 AR 146601 DI 10.1103/PhysRevLett.100.146601 PG 4 WC Physics, Multidisciplinary SC Physics GA 287UB UT WOS:000254940900054 PM 18518059 ER PT J AU Lookman, T Saxena, A Albers, RC AF Lookman, T. Saxena, A. Albers, R. C. TI Phonon mechanisms and transformation paths in Pu SO PHYSICAL REVIEW LETTERS LA English DT Article ID PLUTONIUM ALLOYS; MARTENSITIC-TRANSFORMATION; ALPHA-PLUTONIUM; PHASE-STABILITY; GA ALLOY; CRYSTALLOGRAPHY; DELTA->ALPHA; FCC; METAL AB A long-standing problem in Pu science is the crystallographic mechanism for the delta ->alpha' (fcc -> monoclinic) transformation. Orientation relations between the two structures impose severe restrictions on the possible mechanisms and require the transition to be reconstructive, which we describe as a sequence of three displacive transitions: fcc -> trigonal -> hexagonal -> monoclinic. We predict instabilities along the Lambda and Sigma branches in the phonon dispersion of the delta phase and formulate a free energy to describe the displacement of atoms across the transition. We suggest that the delta ->alpha' transition in Pu lies at the threshold of a change in character of the orientation relationship from lighter to heavier actinides, correlating with changes in electron itinerancy, magnetism, and volume. C1 [Lookman, T.; Saxena, A.; Albers, R. C.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Lookman, T (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. OI Lookman, Turab/0000-0001-8122-5671 NR 21 TC 25 Z9 25 U1 2 U2 14 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 11 PY 2008 VL 100 IS 14 AR 145504 DI 10.1103/PhysRevLett.100.145504 PG 4 WC Physics, Multidisciplinary SC Physics GA 287UB UT WOS:000254940900042 PM 18518047 ER PT J AU Rumolo, G Arduini, G Metral, E Shaposhnikova, E Benedetto, E Calaga, R Papotti, G Salvant, B AF Rumolo, G. Arduini, G. Metral, E. Shaposhnikova, E. Benedetto, E. Calaga, R. Papotti, G. Salvant, B. TI Dependence of the electron-cloud instability on the beam energy SO PHYSICAL REVIEW LETTERS LA English DT Article AB The electron cloud (EC) can be formed in the beam pipe of a circular accelerator if the secondary emission yield (SEY) of the inner surface is larger than 1, and it can detrimentally affect the circulating beam. Understanding the underlying physics and defining the scaling laws of this effect is indispensable to steer the upgrade plans of the existing machines and the design of new ones. The single bunch EC instability (ECI) is shown to be strongly affected by the transverse beam size. Transversely, smaller beams going through an electron cloud generate higher electron peak densities and lower the intensity threshold to make the beam unstable. In particular, since higher energy beams have smaller transverse sizes (for equal normalized transverse emittances), the scaling of the ECI threshold with the beam energy turns out to be surprisingly unfavorable. C1 [Rumolo, G.; Arduini, G.; Metral, E.; Shaposhnikova, E.; Benedetto, E.; Papotti, G.] CERN, CH-1211 Geneva 23, Switzerland. [Calaga, R.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Salvant, B.] Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. RP Rumolo, G (reprint author), CERN, CH-1211 Geneva 23, Switzerland. NR 11 TC 5 Z9 6 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 11 PY 2008 VL 100 IS 14 AR 144801 DI 10.1103/PhysRevLett.100.144801 PG 4 WC Physics, Multidisciplinary SC Physics GA 287UB UT WOS:000254940900035 PM 18518040 ER PT J AU Sinars, DB Lemke, RW Cuneo, ME Lebedev, SV Waisman, EM Stygar, WA Jones, B Jones, MC Yu, EP Porter, JL Wenger, DF AF Sinars, D. B. Lemke, R. W. Cuneo, M. E. Lebedev, S. V. Waisman, E. M. Stygar, W. A. Jones, B. Jones, M. C. Yu, E. P. Porter, J. L. Wenger, D. F. TI Radiation energetics of ICF-relevant wire-array Z pinches SO PHYSICAL REVIEW LETTERS LA English DT Article ID SIMULATIONS; GENERATION; IMPLOSION; EMISSION; PLASMA; POWER AB Short-implosion-time 20-mm diameter, 300-wire tungsten arrays maintain high peak x-ray powers despite a reduction in peak current from 19 to 13 MA. The main radiation pulse on tests with a 1-mm on-axis rod may be explained by the observable (j$) over right arrow x (B) over right arrow work done during the implosion, but bare-axis tests require sub-mm convergence of the magnetic field not seen except perhaps in > 1 keV emission. The data include the first measurement of the imploding mass density profile of a wire-array Z pinch that further constrains simulation models. C1 [Sinars, D. B.; Lemke, R. W.; Cuneo, M. E.; Waisman, E. M.; Stygar, W. A.; Jones, B.; Jones, M. C.; Yu, E. P.; Porter, J. L.; Wenger, D. F.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Lebedev, S. V.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2BW, England. RP Sinars, DB (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 19 TC 33 Z9 34 U1 0 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 11 PY 2008 VL 100 IS 14 AR 145002 DI 10.1103/PhysRevLett.100.145002 PG 4 WC Physics, Multidisciplinary SC Physics GA 287UB UT WOS:000254940900037 PM 18518042 ER PT J AU Xavier, JC Dagotto, E AF Xavier, J. C. Dagotto, E. TI Robust d-wave pairing correlations in the Heisenberg Kondo lattice model SO PHYSICAL REVIEW LETTERS LA English DT Article ID PHASE-TRANSITIONS; SUPERCONDUCTIVITY; ELECTRONS; DENSITY; LADDERS; UPD2AL3; DIAGRAM; STATE AB The Kondo lattice model enlarged by an antiferromagnetic coupling J(AF) between the localized spins is here investigated using computational techniques. Our results suggest the existence of a d-wave superconducting phase close to half-filling mediated by antiferromagnetic fluctuations. This establishes a closer connection between theory and heavy fermion experiments than currently provided by the standard Kondo lattice model with J(AF)=0. C1 [Xavier, J. C.] Univ Fed Uberlandia, Inst Fis, BR-38400902 Uberlandia, MG, Brazil. [Dagotto, E.] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. [Dagotto, E.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Xavier, JC (reprint author), Univ Fed Uberlandia, Inst Fis, CP 593, BR-38400902 Uberlandia, MG, Brazil. RI Xavier, Jose/A-8086-2015 OI Xavier, Jose/0000-0003-4417-4531 NR 36 TC 14 Z9 14 U1 0 U2 1 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 APR 11 PY 2008 VL 100 IS 14 AR 146403 DI 10.1103/PhysRevLett.100.146403 PG 4 WC Physics, Multidisciplinary SC Physics GA 287UB UT WOS:000254940900052 PM 18518057 ER PT J AU Harden, JW Berhe, AA Torn, M Harte, J Liu, S Stallard, RF AF Harden, Jennifer W. Berhe, Asmeret Asefaw Torn, Margaret Harte, John Liu, S. Stallard, R. F. TI Soil erosion: Data say C sink SO SCIENCE LA English DT Letter ID CARBON; ECOSYSTEMS C1 [Harden, Jennifer W.] US Geol Survey, Menlo Pk, CA 94025 USA. [Berhe, Asmeret Asefaw; Harte, John] Univ Calif Berkeley, Div Ecosyst Sci, Berkeley, CA 94720 USA. [Torn, Margaret] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Liu, S.] US Geol Survey Earth Resources Observat & Sci Ctr, SAIC, Sioux Falls, SD 57198 USA. [Stallard, R. F.] US Geol Survey, Boulder, CO 80303 USA. RP Harden, JW (reprint author), US Geol Survey, 345 Middlefield Rd, Menlo Pk, CA 94025 USA. RI Berhe, Asmeret Asefaw/D-4179-2011; Stallard, Robert/H-2649-2013; Torn, Margaret/D-2305-2015 OI Berhe, Asmeret Asefaw/0000-0002-6986-7943; Stallard, Robert/0000-0001-8209-7608; NR 10 TC 29 Z9 32 U1 6 U2 69 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 11 PY 2008 VL 320 IS 5873 BP 178 EP 179 DI 10.1126/science.320.5873.178 PG 2 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 286HJ UT WOS:000254836700019 PM 18403694 ER PT J AU Pasupathy, AN Pushp, A Gomes, KK Parker, CV Wen, JS Xu, ZJ Gu, GD Ono, S Ando, Y Yazdani, A AF Pasupathy, Abhay N. Pushp, Aakash Gomes, Kenjiro K. Parker, Colin V. Wen, Jinsheng Xu, Zhijun Gu, Genda Ono, Shimpei Ando, Yoichi Yazdani, Ali TI Electronic origin of the inhomogeneous pairing interaction in the high-T-c superconductor Bi2Sr2CaCu2O8+delta SO SCIENCE LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTORS; TRANSITION-TEMPERATURE; CUPRATE SUPERCONDUCTORS; ATOMIC-SCALE; MODEL; STATE; MECHANISM; DYNAMICS; SYSTEMS; GLUE AB Identifying the mechanism of superconductivity in the high-temperature cuprate superconductors is one of the major outstanding problems in physics. We report local measurements of the onset of superconducting pairing in the high-transition temperature (T-c) superconductor Bi2Sr2CaCu2O8+delta using a lattice-tracking spectroscopy technique with a scanning tunneling microscope. We can determine the temperature dependence of the pairing energy gaps, the electronic excitations in the absence of pairing, and the effect of the local coupling of electrons to bosonic excitations. Our measurements reveal that the strength of pairing is determined by the unusual electronic excitations of the normal state, suggesting that strong electron-electron interactions rather than low-energy (< 0.1 volts) electron-boson interactions are responsible for superconductivity in the cuprates. C1 [Pasupathy, Abhay N.; Pushp, Aakash; Gomes, Kenjiro K.; Parker, Colin V.; Yazdani, Ali] Princeton Univ, Joseph Henry Labs, Princeton, NJ 08544 USA. [Pushp, Aakash; Gomes, Kenjiro K.] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. [Wen, Jinsheng; Xu, Zhijun; Gu, Genda] Brookhaven Natl Lab, Upton, NY 11973 USA. [Ono, Shimpei] Cent Res Inst Elect Power Ind, Tokyo 2018511, Japan. [Ando, Yoichi] Osaka Univ, Inst Sci & Ind Res, Osaka 5670047, Japan. RP Yazdani, A (reprint author), Princeton Univ, Joseph Henry Labs, Princeton, NJ 08544 USA. EM yazdani@princeton.edu RI Wen, Jinsheng/F-4209-2010; Pushp, Aakash/G-6626-2011; xu, zhijun/A-3264-2013; Ando, Yoichi/B-8163-2013 OI Wen, Jinsheng/0000-0001-5864-1466; xu, zhijun/0000-0001-7486-2015; Ando, Yoichi/0000-0002-3553-3355 NR 49 TC 135 Z9 135 U1 8 U2 46 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 11 PY 2008 VL 320 IS 5873 BP 196 EP 201 DI 10.1126/science.1154700 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 286HJ UT WOS:000254836700034 PM 18403704 ER PT J AU Wang, F Zhang, YB Tian, CS Girit, C Zettl, A Crommie, M Shen, YR AF Wang, Feng Zhang, Yuanbo Tian, Chuanshan Girit, Caglar Zettl, Alex Crommie, Michael Shen, Y. Ron TI Gate-variable optical transitions in graphene SO SCIENCE LA English DT Article ID CARBON NANOTUBES; BILAYER GRAPHENE; DIRAC FERMIONS; BERRYS PHASE AB Two-dimensional graphene monolayers and bilayers exhibit fascinating electrical transport behaviors. Using infrared spectroscopy, we find that they also have strong interband transitions and that their optical transitions can be substantially modified through electrical gating, much like electrical transport in field-effect transistors. This gate dependence of interband transitions adds a valuable dimension for optically probing graphene band structure. For a graphene monolayer, it yields directly the linear band dispersion of Dirac fermions, whereas in a bilayer, it reveals a dominating van Hove singularity arising from interlayer coupling. The strong and layer-dependent optical transitions of graphene and the tunability by simple electrical gating hold promise for new applications in infrared optics and optoelectronics. C1 [Wang, Feng; Zhang, Yuanbo; Tian, Chuanshan; Girit, Caglar; Zettl, Alex; Crommie, Michael; Shen, Y. Ron] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Girit, Caglar; Zettl, Alex; Crommie, Michael; Shen, Y. Ron] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Wang, F (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM fengwang76@berkeley.edu RI 李, 府中/H-4357-2011; Girit, Caglar/D-4845-2014; Zettl, Alex/O-4925-2016; wang, Feng/I-5727-2015 OI Girit, Caglar/0000-0001-8953-9261; Zettl, Alex/0000-0001-6330-136X; NR 22 TC 716 Z9 725 U1 38 U2 364 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 11 PY 2008 VL 320 IS 5873 BP 206 EP 209 DI 10.1126/science.1152793 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 286HJ UT WOS:000254836700036 PM 18339901 ER PT J AU Yanina, SV Rosso, KM AF Yanina, Svetlana V. Rosso, Kevin M. TI Linked reactivity at mineral-water interfaces through bulk crystal conduction SO SCIENCE LA English DT Article ID REDUCTIVE DISSOLUTION; ELECTRON-TRANSFER; SURFACE-CHARGE; HEMATITE; ALPHA-FE2O3; GOETHITE; FACES; COMPLEXATION; POTENTIALS; SIMULATION AB The semiconducting properties of a wide range of minerals are often ignored in the study of their interfacial geochemical behavior. We show that surface-specific charge density accumulation reactions combined with bulk charge carrier diffusivity create conditions under which interfacial electron transfer reactions at one surface couple with those at another via current flow through the crystal bulk. Specifically, we observed that a chemically induced surface potential gradient across hematite (alpha-Fe2O3) crystals is sufficiently high and the bulk electrical resistivity sufficiently low that dissolution of edge surfaces is linked to simultaneous growth of the crystallographically distinct (001) basal plane. The apparent importance of bulk crystal conduction is likely to be generalizable to a host of naturally abundant semiconducting minerals playing varied key roles in soils, sediments, and the atmosphere. C1 [Yanina, Svetlana V.; Rosso, Kevin M.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. RP Rosso, KM (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, POB 999,MSIN K8-96, Richland, WA 99352 USA. EM kevin.rosso@pnl.gov NR 32 TC 171 Z9 174 U1 8 U2 104 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 11 PY 2008 VL 320 IS 5873 BP 218 EP 222 DI 10.1126/science.1154833 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 286HJ UT WOS:000254836700040 PM 18323417 ER PT J AU Granot, J Cohen-Tanugi, J Silva, EDE AF Granot, Jonathan Cohen-Tanugi, Johann Couto e Silva, Eduardo Do TI Opacity buildup in impulsive relativistic sources SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies : jets; gamma rays : bursts; gamma rays : theory; methods : analytical relativity ID GAMMA-RAY BURSTS; AFTERGLOW; EMISSION; SPECTRA; JETS; ABSORPTION; SIGNATURES; FIREBALL; PHOTONS; BLAZARS AB Opacity effects in relativistic sources of high-energy gamma-rays, such as gamma-ray bursts (GRBs) or blazars, can probe the Lorentz factor of the outflow as well as the distance of the emission site from the source and, thus, help constrain the composition of the outflow ( protons, pairs, magnetic field) and the emission mechanism. Most previous works consider the opacity in steady state. Here we study time-dependent effects of the opacity to pair production (gamma gamma --> e(+)e(-)) in impulsive relativistic sources. We present a simple, yet rich, semianalytic model for the time and energy dependence of the optical depth, tau(gamma gamma), in which a thin spherical shell expands ultrarelativistically and emits isotropically in its own rest frame over a finite range of radii, R(0) <= R <= R(0) + Delta R. This is particularly relevant for GRB internal shocks. We find that for impulsive sources (Delta R less than or similar to R(0)), while the instantaneous spectrum has an exponential cutoff above the photon energy epsilon(1)(T) where tau(gamma gamma)(epsilon(1)) = 1, the time-integrated spectrum has a power-law high-energy tail above the photon energy epsilon(1)* similar to epsilon(1)(Delta T) where Delta T is the duration of the emission episode. Furthermore, photons with epsilon > epsilon(1)* should arrive mainly near the onset of the spike or flare corresponding to the short emission episode, since in impulsive sources it takes time to build up the (target) photon field, and thus, tau(gamma gamma)(epsilon) initially increases with time and epsilon(1)(T) correspondingly decreases with time, so that photons of energy epsilon > epsilon(1)* are able to escape the source mainly very early on while epsilon(1)(T) > epsilon. As the source approaches a quasi-steady state (Delta R >> R(0)), the time-integrated spectrum develops an exponential cutoff, while the power-law tail becomes increasingly suppressed. C1 [Granot, Jonathan; Cohen-Tanugi, Johann; Couto e Silva, Eduardo Do] Stanford Univ, Stanford Linear Accelerator Ctr, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94309 USA. [Granot, Jonathan] Univ Hertfordshire, Ctr Astrophys Res, Coll Lane, Hatfield AL10 9AB, Herts, England. RP Granot, J (reprint author), Stanford Univ, Stanford Linear Accelerator Ctr, Kavli Inst Particle Astrophys & Cosmol, POB 20450,MS 29, Stanford, CA 94309 USA. EM granot@slac.stanford.edu; cohen@slac.stanford.edu OI Cohen-Tanugi, Johann/0000-0001-9022-4232 NR 38 TC 65 Z9 67 U1 0 U2 2 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 APR 10 PY 2008 VL 677 IS 1 BP 92 EP 126 DI 10.1086/526414 PG 35 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 285CG UT WOS:000254754300007 ER PT J AU Chamulak, DA Brown, EF Timmes, FX Dupczak, K AF Chamulak, David A. Brown, Edward F. Timmes, F. X. Dupczak, Kimberly TI The reduction of the electron abundance during the pre-explosion simmering in white dwarf supernovae SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies : evolution; nuclear reactions, nucleosynthesis, abundances; supernovae : general; white dwarfs ID CONVECTIVE URCA PROCESS; GIANT BRANCH STARS; THERMONUCLEAR REACTION-RATES; IA SUPERNOVAE; CARBON IGNITION; METALLICITY RELATION; NUCLEAR REACTIONS; FORMING GALAXIES; NEUTRON-CAPTURE; HOST GALAXIES AB Prior to the explosion of a carbon-oxygen white dwarf in a Type Ia supernova there is a long "simmering,'' during which the C-12 + C-12 reaction gradually heats the white dwarf on a long (similar to 10(3) yr) timescale. Piro & Bildsten showed that weak reactions during this simmering set a maximum electron abundance Ye at the time of the explosion. We investigate the nuclear reactions during this simmering with a series of self-heating, at constant pressure, reaction network calculations. Unlike in AGB stars, p captures onto Ne-22 and heavier trace nuclei do not play a significant role. The C-12 abundance is sufficiently high that the neutrons preferentially capture onto C-12, rather than iron group nuclei. As an aid to hydrodynamical simulations of the simmering phase, we present fits to the rates of heating, electron capture, change in mean atomic mass, and consumption of C-12 in terms of the screened thermally averaged cross section for C-12 + C-12. Our evaluation of the net heating rate includes contributions from electron captures into the 3.68 MeVexcited state of C-13. This results in a slightly larger energy release, per C-12 consumed, than that found by Piro & Bildsten, but less than that released for a burn to only 20 Ne and Na-23. We compare our one-zone results to more accurate integrations over the white dwarf structure to estimate the amount of C-12 that must be consumed to raise the white dwarf temperature, and hence to determine the net reduction of Ye during simmering. C1 [Chamulak, David A.; Brown, Edward F.; Dupczak, Kimberly] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Brown, Edward F.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. [Timmes, F. X.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Timmes, F. X.] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 85287 USA. RP Chamulak, DA (reprint author), Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. EM chamulak@pa.msu.edu; ebrown@pa.msu.edu; fxt44@mac.com; dupczakk@msu.edu RI Brown, Edward/F-1721-2011; OI Brown, Edward/0000-0003-3806-5339 NR 60 TC 34 Z9 34 U1 0 U2 1 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 10 PY 2008 VL 677 IS 1 BP 160 EP 168 DI 10.1086/528944 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 285CG UT WOS:000254754300011 ER PT J AU Tam, CR Gavriil, FP Dib, R Kaspi, VM Woods, PM Bassa, C AF Tam, Cindy R. Gavriil, Fotis P. Dib, Rim Kaspi, Victoria M. Woods, Peter M. Bassa, Cees TI X-ray and near-IR variability of the anomalous X-ray pulsar 1E 1048.1-5937: From quiescence back to activity SO ASTROPHYSICAL JOURNAL LA English DT Article DE pulsars : general; pulsars : individual (1E 1048.1-5937); stars : neutron ID MAGNETIZED NEUTRON-STARS; SOFT GAMMA-REPEATERS; 1E 1048.1-5937; XTE J1810-197; GIANT FLARE; 1RXS J170849.0-400910; INFRARED COUNTERPART; CYCLOTRON-RESONANCE; TRANSIENT MAGNETAR; CROSS-SECTIONS AB We report on new and archival X-ray and near-IR observations of the anomalous X-ray pulsar 1E 1048.1-5937 performed between 2001 and 2007 with the Rossi X-Ray Telescope Explorer (RXTE), the Chandra X-Ray Observatory, the Swift Gamma-Ray Burst Explorer, the Hubble Space Telescope (HST), and the Very Large Telescope. Monitoring with RXTE revealed that following its similar to 2001-2004 active period, 1E 1048.1-5937 entered a phase of timing stability; at the same time, simultaneous observations with Chandra and HST in 2006 showed that its X-ray and near-IR radiative properties, all variable prior to 2005, stabilized. Specifically, the 2006 X-ray spectrum is consistent with a two-component blackbody plus power law, with an average kt = 0.52 keV and Gamma = 2.8, at a mean flux level of similar to 6.5 x 10(-12) erg cm(-2) s(-1) (2-10 keV). The near-IR counterpart in 2005-2006 was detected at H similar to 22.7 mag and K-s similar to 21.0 mag, considerably fainter than previously measured. In 2007 March, this newfound quiescence was interrupted by sudden X-ray flux, spectral, and pulse morphology changes, simultaneous with a large glitch and near-IR enhancement. Our RXTE observations revealed a factor of similar to 3 increase in pulsed flux (2-10 keV), while observations with Chandra and Swift saw the total X-ray flux increase much more than the pulsed flux, reaching a peak value of > 7 times the quiescent value (2-10 keV). We find a strong anticorrelation between X-ray flux and pulsed fraction, and a correlation between X-ray spectral hardness and flux. Simultaneously with the radiative and timing changes, we observed the X-ray pulse profile change significantly from nearly sinusoidal to having multiple peaks. We compare these remarkable events with other magnetar outbursts and discuss implications in the context of AXP emission models. C1 [Tam, Cindy R.; Dib, Rim; Kaspi, Victoria M.; Bassa, Cees] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. [Gavriil, Fotis P.] NASA, Goddard Space Flight Ctr, Astrophys Sci Div, Greenbelt, MD 20771 USA. [Gavriil, Fotis P.] Oak Ridge Associated Univ, Oak Ridge, TN 37830 USA. [Woods, Peter M.] Dynet Inc, Huntsville, AL 35806 USA. [Woods, Peter M.] NSSTC, Huntsville, AL 35805 USA. RP Tam, CR (reprint author), McGill Univ, Dept Phys, Rutherford Phys Bldg,3600 Univ St, Montreal, PQ H3A 2T8, Canada. NR 73 TC 35 Z9 35 U1 0 U2 0 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 10 PY 2008 VL 677 IS 1 BP 503 EP 514 DI 10.1086/528368 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 285CG UT WOS:000254754300040 ER PT J AU Eggleton, PP Dearborn, DSP Lattanzio, JC AF Eggleton, Peter P. Dearborn, David S. P. Lattanzio, John C. TI Compulsory deep mixing of He-3 and CNO isotopes in the envelopes of low-mass red giants SO ASTROPHYSICAL JOURNAL LA English DT Article DE hydrodynamics; stars : abundances; stars : chemically peculiar; stars : evolution; stars : interiors; stars : Population II ID GLOBULAR-CLUSTER GIANTS; STELLAR ATMOSPHERES; C-12-C-13 RATIO; THERMOHALINE CONVECTION; OXYGEN ISOTOPES; BIG-BANG; STARS; CARBON; ABUNDANCES; C-12/C-13 AB Three-dimensional stellar modeling has enabled us to identify a deep-mixing mechanism that must operate in all low-mass giants. This mixing process is not optional, and is driven by a molecular weight inversion created by the He-3(3He, 2p)He-4 reaction. In this paper we characterize the behavior of this mixing, and study its impact on the envelope abundances. It not only eliminates the problem of He-3 overproduction, reconciling stellar and big bang nucleosynthesis with observations, but solves the discrepancy between observed and calculated CNO isotope ratios in low-mass giants, a problem of more than three decades standing. This mixing mechanism, which we call "delta mu mixing,'' operates rapidly (relative to the nuclear timescale of overall evolution, similar to 10(8) yr) once the hydrogen-burning shell approaches the material homogenized by the surface convection zone. In agreement with observations, Population I stars between 0.8 and 2.0 M-circle dot develop C-12/C-13 ratios of 14.5 +/- 1.5, while Population II stars process the carbon to ratios of 4.0 +/- 0.5. In stars less than 1.25 M-circle dot, this mechanism also destroys 90%-95% of the He-3 produced on the main sequence. C1 [Eggleton, Peter P.; Dearborn, David S. P.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Lattanzio, John C.] Monash Univ, Dept Math, Clayton, Vic 3168, Australia. RP Eggleton, PP (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. EM ppe@igpp.ucllnl.org; dearborn2@llnl.gov; john.lattanzio@sci.monash.edu.au NR 41 TC 78 Z9 78 U1 0 U2 2 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 10 PY 2008 VL 677 IS 1 BP 581 EP 592 DI 10.1086/529024 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 285CG UT WOS:000254754300047 ER PT J AU Zhao, LZ Lu, WC Qin, W Zang, QJ Wang, CZ Ho, KM AF Zhao, Li-Zhen Lu, Wen-Cai Qin, Wei Zang, Qing-Jun Wang, C. Z. Ho, K. M. TI Fragmentation behavior of Ge-n clusters (2 <= n <= 33) SO CHEMICAL PHYSICS LETTERS LA English DT Article ID GERMANIUM CLUSTERS; IONS; SI; SPECTROSCOPY; IONIZATION; STABILITY; AMMONIA; SPECTRA; ANIONS; GE(N) AB The lowest-energy structures of Ge-2-Ge-33 have been optimized using all-electron DFT method. The properties of the germanium clusters including binding energies, second order differences in energy, HOMO-LOMO gaps, and especially fragmentation energies and fragmentation behavior have been studied. Our calculation shows that the fragmentation products of Ge-6, Ge-7, and Ge-10 clusters are abundant and appear frequently in fragmentation processes, which is consistent with the experimental observations. (C) 2008 Elsevier B.V. All rights reserved. C1 [Zhao, Li-Zhen; Lu, Wen-Cai; Qin, Wei; Zang, Qing-Jun] Jilin Univ, Inst Theoret Chem, State Key Lab Theoret & Computat Chem, Changchun 130021, Jilin, Peoples R China. [Lu, Wen-Cai] Qingdao Univ, Dept Phys, Qingdao 266071, Shandong, Peoples R China. [Wang, C. Z.; Ho, K. M.] US DOE, Ames Lab, Ames, IA 50011 USA. [Wang, C. Z.; Ho, K. M.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Lu, WC (reprint author), Jilin Univ, Inst Theoret Chem, State Key Lab Theoret & Computat Chem, 2519 Jiefang Rd, Changchun 130021, Jilin, Peoples R China. EM wencailu@jlu.edu.cn OI Wang, Chong/0000-0003-4489-4344 NR 27 TC 25 Z9 27 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD APR 10 PY 2008 VL 455 IS 4-6 BP 225 EP 231 DI 10.1016/j.cplett.2008.01.053 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 296NJ UT WOS:000255552800020 ER PT J AU Zhang, W Lu, WC Sun, J Wang, CZ Ho, KM AF Zhang, Wei Lu, Wen-Cai Sun, Jiao Wang, C. Z. Ho, K. M. TI Structures of Al-n (n=27, 28, 29 and 30) clusters with double-tetrahedron structures SO CHEMICAL PHYSICS LETTERS LA English DT Article ID SMALL ALUMINUM CLUSTERS; ELECTRONIC-STRUCTURE; METAL-CLUSTERS; BINDING; AL-77 AB Global search for lowest-energy structures of neutral aluminum clusters Al-n (n = 27, 28, 29 and 30) was performed using a genetic algorithm (GA) coupled with a tight-binding (TB) method. Structural candidates obtained from our GA search were further optimized with first-principles calculations. It is found that the medium-sized aluminum clusters Al-27 to Al-30 favor double-tetrahedron structures. (C) 2008 Elsevier B.V. All rights reserved. C1 [Zhang, Wei; Lu, Wen-Cai; Sun, Jiao] Jilin Univ, Inst Theoret Chem, State Key Lab Theoret & Computat Chem, Changchun 130021, Jilin, Peoples R China. [Lu, Wen-Cai] Qingdao Univ, Dept Phys, Qingdao 266071, Shandong, Peoples R China. [Wang, C. Z.; Ho, K. M.] US DOE, Ames Lab, Ames, IA 50011 USA. [Wang, C. Z.; Ho, K. M.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Lu, WC (reprint author), Jilin Univ, Inst Theoret Chem, State Key Lab Theoret & Computat Chem, Changchun 130021, Jilin, Peoples R China. EM wencailu@jlu.edu.cn NR 33 TC 25 Z9 26 U1 2 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD APR 10 PY 2008 VL 455 IS 4-6 BP 232 EP 237 DI 10.1016/j.cplett.2008.01.070 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 296NJ UT WOS:000255552800021 ER PT J AU Bagus, PS Freund, H Kuhlenbeck, H Ilton, ES AF Bagus, Paul S. Freund, Hajo Kuhlenbeck, Helmut Ilton, Eugene S. TI A new analysis of X-ray adsorption branching ratios: Use of Russell-Saunders coupling SO CHEMICAL PHYSICS LETTERS LA English DT Article ID TRANSITION-METALS; ABSORPTION; SPECTRA; IDENTIFICATION; SPECTROSCOPY; DICHROISM AB The intensities of X-ray absorption peaks at core-level edges are considered in terms of Russell-Saunders multiplets. The contributions of different multiplets to the relativistic wavefunctions of the excited states are determined and the absorption intensity related to the contributions of the dipole allowed multiplets. This is a powerful method because the selection rules for multiplets are stronger than for relativistic J levels. It is also shown that differences in the radial extent of the spin-orbit split core spinors modify the intensity given by these symmetry arguments. Applications are considered for cases involving different degrees of Russell-Saunders or j-j coupling. (c) 2008 Elsevier B. V. All rights reserved. C1 [Bagus, Paul S.] Univ N Texas, Dept Chem, Denton, TX 76203 USA. [Freund, Hajo; Kuhlenbeck, Helmut] Fritz Haber Inst Max Planck Gessell, D-14195 Berlin, Germany. [Ilton, Eugene S.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Bagus, PS (reprint author), Univ N Texas, Dept Chem, Denton, TX 76203 USA. EM bagus@unt.edu RI Bagus, Paul/M-1273-2015 NR 26 TC 15 Z9 15 U1 1 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD APR 10 PY 2008 VL 455 IS 4-6 BP 331 EP 334 DI 10.1016/j.cplett.2008.02.085 PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 296NJ UT WOS:000255552800042 ER PT J AU Schuchardt, KL Gibson, T Stepban, E Chin, G AF Schuchardt, Karen L. Gibson, Tara Stepban, Eric Chin, George, Jr. TI Applying content management to automated provenance capture SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE LA English DT Article; Proceedings Paper CT International Provenance and Annotation Workshop (IPAW 2006) CY MAY 03-05, 2006 CL Univ Chicago, Chicago, IL SP Springer, Microsoft, Global Grid Forum, Argonne Natl Lab, Univ Southhampton HO Univ Chicago DE provenance; metadata; workflow; content management AB Workflows and data pipelines are becoming increasingly valuable to computational and experimental sciences. These automated systems are capable of generating significantly more data within the same amount of time compared to their manual counterparts. Automatically capturing and recording data provenance and annotation as part of these workflows are critical for data management, verification, and dissemination. We have been prototyping a workflow provenance system, targeted at biological workflows, that extends our content management technologies and other open source tools. We applied this prototype to the provenance challenge to demonstrate an end-to-end system that supports dynamic provenance capture, persistent content management, and dynamic searches of both provenance and metadata. We describe our prototype, which extends the Kepler system for the execution environment, the Scientific Annotation Middleware (SAM) content management software for data services, and an existing HTTP-based query protocol. Our implementation offers several unique capabilities, and through the use of standards, is able to provide access to the provenance record with a variety of commonly available client tools. Copyright (C) 2007 John Wiley & Sons, Ltd. C1 [Schuchardt, Karen L.; Gibson, Tara; Stepban, Eric; Chin, George, Jr.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Schuchardt, KL (reprint author), Pacific NW Natl Lab, POB 999,K7-90, Richland, WA 99352 USA. EM karen.schuchardt@pnl.gov OI Stephan, Eric/0000-0002-8155-6806 NR 26 TC 1 Z9 1 U1 0 U2 7 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1532-0626 EI 1532-0634 J9 CONCURR COMP-PRACT E JI Concurr. Comput.-Pract. Exp. PD APR 10 PY 2008 VL 20 IS 5 BP 541 EP 554 DI 10.1002/cpe.1230 PG 14 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 280YU UT WOS:000254463500013 ER PT J AU Clifford, B Foster, I Voeckler, JS Wilder, M Zhao, Y AF Clifford, Ben Foster, Ian Voeckler, Jens-S. Wilder, Michael Zhao, Yong TI Tracking provenance in a virtual data grid SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE LA English DT Article; Proceedings Paper CT International Provenance and Annotation Workshop (IPAW 2006) CY MAY 03-05, 2006 CL Univ Chicago, Chicago, IL SP Springer, Microsoft, Global Grid Forum, Argonne Natl Lab, Univ Southhampton HO Univ Chicago DE grid computing; workflow; data provenance AB The virtual data model allows data sets to be described prior to, and separately from, their physical materialization. We have implemented this model in a Virtual Data Language (VDL) and associated supporting tools, which provide for both the storage, query, and retrieval of virtual data set descriptions, and the automated, on-demand materialization of virtual data sets. We use a standardized data provenance challenge exercise to illustrate the powerful queries that can be performed on the data maintained by these tools, which for a single virtual data set can include three elements: the computational procedure(s) that must be executed to materialize the data set, the runtime log(s) produced by the execution of the computation(s), and optional metadata annotation(s) that associate application semantics with data and procedures. Copyright (C) 2007 John Wiley & Sons, Ltd. C1 [Clifford, Ben; Foster, Ian; Wilder, Michael; Zhao, Yong] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Foster, Ian; Wilder, Michael] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Voeckler, Jens-S.] USC Informat Sci Inst, Marina Del Rey, CA USA. RP Wilder, M (reprint author), Univ Chicago, Computat Inst, Chicago, IL 60637 USA. EM wilde@mcs.anl.gov NR 12 TC 15 Z9 16 U1 1 U2 2 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 1532-0626 J9 CONCURR COMP-PRACT E JI Concurr. Comput.-Pract. Exp. PD APR 10 PY 2008 VL 20 IS 5 BP 565 EP 575 DI 10.1002/cpe.1256 PG 11 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 280YU UT WOS:000254463500015 ER PT J AU Gresho, PM Pironneau, O AF Gresho, Philip M. Pironneau, Olivier TI Two remarks on a paper by Sani et al - Reply SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS LA English DT Letter ID NAVIER-STOKES EQUATIONS C1 [Gresho, Philip M.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Pironneau, Olivier] Univ Paris 06, Lab Jacques Louis Lions, F-75252 Paris 05, France. RP Gresho, PM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA. EM pgresho@comcast.net; pironneau@ann.jussieu.fr NR 5 TC 0 Z9 0 U1 1 U2 9 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0271-2091 J9 INT J NUMER METH FL JI Int. J. Numer. Methods Fluids PD APR 10 PY 2008 VL 56 IS 10 BP 1966 EP 1968 DI 10.1002/fld.1762 PG 3 WC Computer Science, Interdisciplinary Applications; Mathematics, Interdisciplinary Applications; Mechanics; Physics, Fluids & Plasmas SC Computer Science; Mathematics; Mechanics; Physics GA 280VW UT WOS:000254455700009 ER PT J AU Wang, W Bain, AD Wang, LQ Exarhos, GJ Li, ADQ AF Wang, Wei Bain, Alex D. Wang, Li-Qiong Exarhos, Gregory J. Li, Alexander D. Q. TI Molecular self-assembly inhibition leads to basket-shaped cyclophane formation with chiral dynamics SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID PERYLENE BISIMIDE DYES; TEMPLATED SYNTHESIS; DONOR; CATENANES; DIAZADIBENZOPERYLENES; SEMICONDUCTORS; STEREOCONTROL; POLYMERS AB Planar perylene derivatives form macrocyclic dimers and concatenated dimer-dimer rings under the action of molecular self-assembly. If this underpinning principle is true, highly twisted perylene derivatives should be more frustrated toward formation of multimeric cyclic compounds such as macrocyclic dimers and concatenated dimer-dimers because of perturbation resulting from intermolecular pi-pi stacking. Indeed, 1,6,7,12-tetraphenoxy-substituted perylene is highly twisted and undergoes unimolecular cyclization rather than bimolecular or multimolecular cyclization. The resulting monocyclic monomer exhibits interesting conformation switching from one chiral structure (left-handedness) to another chiral structure (right-handedness) at room temperature. NMR studies of conformational dynamics reveal that such configuration change between the two enantiomers can be frozen at low temperature (-45 degrees C). An activation enthalpy barrier of 13.4 +/- 0.5 kcal.mol(-1) for twisting the perylene plane in order to convert from one enantiomer to the other has been found. C1 [Wang, Wei; Bain, Alex D.; Wang, Li-Qiong; Exarhos, Gregory J.; Li, Alexander D. Q.] Washington State Univ, Dept Chem, Pullman, WA 99164 USA. [Bain, Alex D.] McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada. [Wang, Li-Qiong; Exarhos, Gregory J.] Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99354 USA. RP Li, ADQ (reprint author), Washington State Univ, Dept Chem, Pullman, WA 99164 USA. EM dequan@wsu.edu FU NIGMS NIH HHS [GM065306] NR 32 TC 6 Z9 6 U1 3 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 APR 10 PY 2008 VL 112 IS 14 BP 3094 EP 3103 DI 10.1021/jp077650a PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 283TP UT WOS:000254659700014 PM 18341307 ER PT J AU Spasic, A Sitha, S Korchak, M Chu, S Mohanty, U AF Spasic, A. Sitha, S. Korchak, M. Chu, S. Mohanty, U. TI Polyelectrolyte behavior and kinetics of aminoacyl-tRNA on the ribosome SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID TRANSLATION; SELECTION; DYNAMICS AB The torque acting on cognate (three base pairs that are matched) "ternary complex" consisting of elongation factor-Tu, guanosine-5'-triphosphate GTP, and aminoacyl-transfer RNA due to induced wrapping of the 30S subunit of the ribosome and the speed with which the ternary complex samples the space allowed by diffusion is determined. Under appropriate conditions, mode coupling speeds up the barrier crossing rate for cognate relative to near-cognate ternary complexes. We determine the flexibility of the ternary complex relative to transfer RNA (tRNA) by a coarse-grained model. We predict the magnesium binding sites in the ternary complex at low magnesium concentration and unravel the nature of the interaction energy of magnesium with site-specific tRNA(Phe) bases. C1 [Spasic, A.; Sitha, S.; Korchak, M.; Mohanty, U.] Boston Coll, Dept Chem, Chestnut Hill, MA 02467 USA. [Chu, S.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Mohanty, U (reprint author), Boston Coll, Dept Chem, Chestnut Hill, MA 02467 USA. EM mohanty@bc.edu NR 15 TC 1 Z9 1 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 10 PY 2008 VL 112 IS 14 BP 4161 EP 4163 DI 10.1021/jp711478t PG 3 WC Chemistry, Physical SC Chemistry GA 283TR UT WOS:000254659900003 PM 18351762 ER PT J AU Alapati, SV Johnson, JK Sholl, DS AF Alapati, Sudhakar V. Johnson, J. Karl Sholl, David S. TI Large-scale screening of metal hydride mixtures for high-capacity hydrogen storage from first-principles calculations SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Letter ID SYSTEM; DECOMPOSITION AB First-principles calculations have been used to systematically screen > 16 million mixtures of metal hydrides and related compounds to find materials with high capacity and favorable thermodynamics for reversible storage of hydrogen. These calculations are based on a library of crystal structures of > 200 solid compounds comprised of Al, B, C, Ca, K, Li, Mg, N, Na, Sc, Si, Ti, V, and H. Thermodynamic calculations are used that rigorously describe the reactions available within this large library of compounds. Our calculations extend previous efforts to screen mixtures of this kind by orders of magnitude and, more importantly, identify multiple reactions that are predicted to have favorable properties for reversible hydrogen storage. C1 [Alapati, Sudhakar V.; Sholl, David S.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. [Johnson, J. Karl] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. [Johnson, J. Karl; Sholl, David S.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Sholl, David S.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. RP Sholl, DS (reprint author), Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. EM david.sholl@chbe.gatech.edu RI Johnson, Karl/E-9733-2013 OI Johnson, Karl/0000-0002-3608-8003 NR 27 TC 76 Z9 77 U1 1 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 10 PY 2008 VL 112 IS 14 BP 5258 EP 5262 DI 10.1021/jp800630s PG 5 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 284MP UT WOS:000254710800005 ER PT J AU Jiang, DE Dai, S AF Jiang, De-en Dai, Sheng TI Spin states of zigzag-edged Mobius graphene nanoribbons from first principles SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID DENSITY-FUNCTIONAL THEORY; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; AROMATIC-HYDROCARBON; BASIS-SET; DIRADICALS; CYCLACENES; CHARACTER; TOPOLOGY AB Mobius graphene nanoribbons have only one edge topologically. How the magnetic structures, previously associated with the two edges of zigzag-edged flat nanoribbons or cyclic nanorings, would change for their Mobius counterparts is an intriguing question. Using spin-polarized density functional theory, we shed light on this question. We examine spin states of zigzag-edged Mobius graphene nanoribbons with different widths and lengths. We find a triplet ground state for a Mobius cyclacene, while the corresponding two-edged cyclacene has an open-shell singlet ground state. For wider zigzag-edged Mobius graphene nanoribbons, the total magnetization of the ground state is found to increase with the ribbon length. For example, a quintet ground state is found for a zigzag-edged Mobius graphene nanoribbon. Local magnetic moments on the edge carbon atoms form domains of majority and minor spins along the edge. Spins at the domain boundaries are found to be frustrated. Our findings show that the Mobius topology (that is, only one edge) causes zigzag-edged Mobius graphene nanoribbons to favor one spin over the other, leading to a ground state with nonzero total magnetization. C1 [Jiang, De-en; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Dai, Sheng] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Jiang, DE (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM jiangd@ornl.gov RI Jiang, De-en/D-9529-2011; Dai, Sheng/K-8411-2015 OI Jiang, De-en/0000-0001-5167-0731; Dai, Sheng/0000-0002-8046-3931 NR 39 TC 17 Z9 17 U1 4 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 10 PY 2008 VL 112 IS 14 BP 5348 EP 5351 DI 10.1021/jp711660k PG 4 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 284MP UT WOS:000254710800017 ER PT J AU Brown, MA Newberg, JT Krisch, MJ Mun, BS Hemminger, JC AF Brown, Matthew A. Newberg, John T. Krisch, Maria J. Mun, B. Simon Hemminger, John C. TI Reactive uptake of ozone on solid potassium iodide SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID SEA-SALT PARTICLES; WATER-ADSORPTION; AIR/WATER INTERFACE; PHOTOELECTRON-SPECTROSCOPY; VIBRATIONAL SPECTROSCOPY; HETEROGENEOUS CHEMISTRY; TROPOSPHERIC CHEMISTRY; ATMOSPHERIC CHEMISTRY; ELECTRON-SPECTROSCOPY; NACL(100) SURFACE AB Heterogeneous processes impact the rate of both trace gas uptake and chemical conversion within the atmosphere. Sea-salt particles are among the most abundant aerosols globally and provide reactive surface sites for heterogeneous reactions. Ozone, a powerful trace gas oxidant found in both the troposphere and stratosphere, is believed to oxidize alkali halides in the form of sea-salt aerosols. This chemistry is considered to be a significant candidate for the formation of reactive gas-phase molecular halogens. Recent studies suggest that although iodide is a minor component of sea-salt spray its concentration at the interface of aqueous solutions and at the interface of dried solid crystalline sea-salt particles is greatly enhanced relative to the bulk concentration. X-ray photoelectron spectroscopy studies described here show, under conditions in which a low defect density KI surface is completely devoid of adsorbed water molecules, that surface oxidation by ozone results in a thin layer of KIO3 that is self-passivating. An average reactive sticking probability is determined to be gamma(avg) = 1.4 (+/- 0.7) x 10(-4). Results of the low defect density system are compared with the results of a defect-rich polycrystalline KI surface which does not form a passivating film under the conditions of our experiments. In the presence of water, under atmospheric conditions, the surface oxidation of KI to KIO3 is likely to have important consequences on the release of gas-phase molecular iodine into the atmosphere via the Dushman reaction. C1 [Brown, Matthew A.; Krisch, Maria J.; Hemminger, John C.] Univ Calif Irvine, Dept Chem & AirUCI, Irvine, CA 92697 USA. [Newberg, John T.; Mun, B. Simon] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Mun, B. Simon] Hanyang Univ, Dept Appl Phys, Ansan 426791, Kyunggido, South Korea. RP Hemminger, JC (reprint author), Univ Calif Irvine, Dept Chem & AirUCI, Irvine, CA 92697 USA. EM jchemmin@uci.edu RI Brown, Matthew/D-9236-2012; Newberg, John/E-8961-2010; Mun, Bongjin /G-1701-2013 NR 60 TC 15 Z9 16 U1 0 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 10 PY 2008 VL 112 IS 14 BP 5520 EP 5525 DI 10.1021/jp077225h PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 284MP UT WOS:000254710800041 ER PT J AU Persson, BNJ AF Persson, B. N. J. TI Influence of frozen capillary waves on contact mechanics SO WEAR LA English DT Article; Proceedings Paper CT 12th Nordic Symposium on Tribology CY JUN 07-09, 2006 CL Helsinger, DENMARK DE frozen capillary waves; contact mechanics; glass transition temperature ID ELASTIC DEFORMATION; FRICTION; SURFACES AB Free surfaces of liquids exhibit thermally excited (capillary) surface waves. We show that the surface roughness which results from capillary waves when a glassy material is cooled below the glass transition temperature can have a large influence on the contact mechanics between the solids. The theory suggest a new explanation for puzzling experimental results [L. Bureau, T. Baumberger and C. Caroli, European Physical Journal E 19, 163 (2006)] about the dependence of the frictional shear stress on the load for contact between a glassy polymer lens and flat substrates. It also lend support for a recently developed contact mechanics theory. (c) 2007 Elsevier B.v. All rights reserved. C1 [Persson, B. N. J.] Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. [Persson, B. N. J.] Univ Calif Santa Barbara, Kavli Inst Theoret Practice, Santa Barbara, CA 93106 USA. [Persson, B. N. J.] Forschungszentrum Julich, IFF, D-52425 Julich, Germany. RP Persson, BNJ (reprint author), Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. EM b.persson@fz-juelich.de RI Persson, Bo Nils Johan/I-1548-2013 OI Persson, Bo Nils Johan/0000-0003-1535-738X NR 19 TC 6 Z9 7 U1 1 U2 9 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0043-1648 J9 WEAR JI Wear PD APR 10 PY 2008 VL 264 IS 9-10 BP 746 EP 749 DI 10.1016/j.wear.2006.10.028 PG 4 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 290IY UT WOS:000255117700002 ER PT J AU Holmberg, K Ronkainen, H Laukkanen, A Wallin, K Erdemir, A Eryilmaz, O AF Holmberg, Kenneth Ronkainen, Helena Laukkanen, Anssi Wallin, Kim Erdemir, Ali Eryilmaz, Osman TI Tribological analysis of TiN and DLC coated contacts by 3D FEM modelling and stress simulation SO WEAR LA English DT Article; Proceedings Paper CT 12th Nordic Symposium on Tribology CY JUN 07-09, 2006 CL Helsinger, DENMARK DE coating; FEM analysis; TiN; DLC ID FRACTURE-TOUGHNESS CALCULATION; HARD COATINGS; SURFACE; MODULUS; SCRATCH AB Surface coatings, like titanium nitride (TiN) and diamond-like carbon (DLC) coatings, offer high wear resistance and good friction performance for a wide range of applications. With novel advanced techniques like modelling and simulation, the performance of these coatings can be predicted under a wide range of loading conditions. This provides valuable information for the coating design and for the use of coatings in different applications. A previously developed three-dimensional finite element method (FEM) model was used for calculating the first principal stress distribution in a scratch test contact as a spherical diamond tip is moving with increased load on DLC and TiN coated high speed steel surfaces containing no residual stresses. The used three-dimensional model is comprehensive in the sense that it considers elastic and plastic behaviour of the contacting surfaces. The first cracks to appear on the surface are angular cracks on the edge of the scratch groove. This corresponds to the region of high two directional tensile stresses occurring in FEM stress simulations at the edge of the scratch groove. The coating/substrate stiffness ratio influences considerably on the coating behaviour. The TiN coating that had higher Young's modulus compared to the substrate material experienced high tensile stresses when loaded by the diamond stylus. The DLC coating that had lower stiffness compared to substrate material experienced comparatively low tensile stresses. The DLC coatings had maximum tensile stresses in the range of 700-900 MPa. The TiN coatings had tensile stresses in the range 2200-3000 MPa. The coating thickness had only minor effect on the maximum tensile stress level for the I and 2 mu m thick coatings. The location of the experimentally observed first crack in the surface corresponds to the location of maximum tensile stress concentrations in the stress simulations and the direction of the observed crack corresponds with the stress components in the calculated stress field. The role of residual stresses is discussed. (c) 2007 Elsevier B.V. All rights reserved. C1 [Holmberg, Kenneth; Ronkainen, Helena; Laukkanen, Anssi; Wallin, Kim] VTT Tech Res Ctr Finland, FI-02044 Espoo, Finland. [Erdemir, Ali; Eryilmaz, Osman] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Holmberg, K (reprint author), VTT Tech Res Ctr Finland, POB 1000, FI-02044 Espoo, Finland. EM kenneth.holmberg@vtt.fi NR 17 TC 16 Z9 22 U1 1 U2 24 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0043-1648 EI 1873-2577 J9 WEAR JI Wear PD APR 10 PY 2008 VL 264 IS 9-10 BP 877 EP 884 DI 10.1016/j.wear.2006.12.084 PG 8 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 290IY UT WOS:000255117700018 ER PT J AU Lam, PJ Bishop, JKB AF Lam, Phoebe J. Bishop, James K. B. TI The continental margin is a key source of iron to the HNLC North Pacific Ocean SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID SUB-ARCTIC PACIFIC; PHYTOPLANKTON; GULF; CIRCULATION; TRANSPORT; EDDIES; ALASKA AB Here we show that labile particulate iron and manganese concentrations in the upper 500 m of the Western Subarctic Pacific, an iron-limited High Nutrient Low Chlorophyll (HNLC) region, have prominent subsurface maxima between 100-200 m, reaching 3 nM and 600 pM, respectively. The subsurface concentration maxima in particulate Fe are characterized by a more reduced oxidation state, suggesting a source from primary volcagenic minerals such as from the Kuril/Kamchatka margin. The systematics of these profiles suggest a consistently strong lateral advection of labile Mn and Fe from redox-mobilized labile sources at the continental shelf supplemented by a more variable source of Fe from the upper continental slope. This subsurface supply of iron from the continental margin is shallow enough to be accessible to the surface through winter upwelling and vertical mixing, and is likely a key source of bioavailable Fe to the HNLC North Pacific. C1 [Lam, Phoebe J.] Woods Hole Oceanog Inst, Dept Marine Chem & Geochem, Woods Hole, MA 02543 USA. [Lam, Phoebe J.; Bishop, James K. B.] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA USA. [Bishop, James K. B.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Lam, PJ (reprint author), Woods Hole Oceanog Inst, Dept Marine Chem & Geochem, Woods Hole, MA 02543 USA. NR 29 TC 119 Z9 121 U1 1 U2 44 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 APR 9 PY 2008 VL 35 IS 7 AR L07608 DI 10.1029/2008GL033294 PG 5 WC Geosciences, Multidisciplinary SC Geology GA 289SW UT WOS:000255075200002 ER PT J AU Gray, LJ Fata, SN Ma, D AF Gray, L. J. Fata, S. Nintcheu Ma, D. TI Iterative solution of Hermite boundary integral equations SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING LA English DT Article DE boundary integral method; Hermite approximation; iterative solution ID ELEMENTS; SIMULATIONS; DERIVATIVES; FORMULATION AB An efficient iterative method for solution of the linear equations arising from a Hermite boundary integral approximation has been developed. Along with equations for the boundary unknowns, the Hermite system incorporates equations for the first-order surface derivatives (gradient) of the potential, and is therefore substantially larger than the matrix for a corresponding linear approximation. However, by exploiting the structure of the Hermite matrix, a two-level iterative algorithm has been shown to provide a very efficient solution algorithm. In this approach, the boundary function unknowns are treated separately from the gradient, taking advantage of the sparsity and near-positive definiteness of the gradient equations. In test problems, the new algorithm significantly reduced computation time compared with iterative solution applied to the full matrix. This approach should prove to be even more effective for the larger systems encountered in three-dimensional analysis, and increased efficiency should come from pre-conditioning of the non-sparse matrix component. Published in 2007 by John Wiley & Sons, Ltd. C1 [Gray, L. J.; Fata, S. Nintcheu] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. [Ma, D.] Farragut High Sch, Farragut, TN USA. RP Gray, LJ (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. EM ljg@ornl.gov NR 17 TC 0 Z9 0 U1 0 U2 1 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0029-5981 J9 INT J NUMER METH ENG JI Int. J. Numer. Methods Eng. PD APR 9 PY 2008 VL 74 IS 2 BP 337 EP 346 DI 10.1002/nme.2173 PG 10 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 289ZA UT WOS:000255091200008 ER PT J AU Barnese, K Gralla, EB Cabelli, DE Valentine, JS AF Barnese, Kevin Gralla, Edith B. Cabelli, Diane E. Valentine, Joan Selverstone TI Manganous phosphate acts as a superoxide dismutase SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID SACCHAROMYCES-CEREVISIAE; LACTOBACILLUS-PLANTARUM; MANGANESE(II) COMPLEXES; PULSE-RADIOLYSIS; HO2/O2-RADICALS; ACCUMULATION; MECHANISMS; RESISTANCE; KINETICS; CELLS AB A substantial body of evidence indicates that high intracellular concentrations of inorganic manganous ions render some cells resistant to ionizing radiation and provide substantial antioxidant protection to aerobic cells lacking superoxide dismutase (SOD) enzymes. We found that manganous salts studied in its ability to remove superoxide rapidly and catalytically from aqueous solution via a disproportionation mechanism that is entirely different from those of the SOD enzymes. C1 [Cabelli, Diane E.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11573 USA. [Barnese, Kevin; Gralla, Edith B.; Valentine, Joan Selverstone] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. RP Cabelli, DE (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11573 USA. EM cabelli@bnl.gov; jsv@chem.ucla.edu RI Valentine, Joan/B-6665-2008 OI Valentine, Joan/0000-0002-7174-925X FU NIDDK NIH HHS [DK46828] NR 25 TC 85 Z9 86 U1 1 U2 26 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 9 PY 2008 VL 130 IS 14 BP 4604 EP + DI 10.1021/ja710162n PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 283NU UT WOS:000254643900016 PM 18341341 ER PT J AU Pietryga, JM Werder, DJ Williams, DJ Casson, JL Schaller, RD Klimov, VI Hollingsworth, JA AF Pietryga, Jeffrey M. Werder, Donald J. Williams, Darrick J. Casson, Joanna L. Schaller, Richard D. Klimov, Victor I. Hollingsworth, Jennifer A. TI Utilizing the lability of lead selenide to produce heterostructured nanocrystals with bright, stable infrared emission SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID QUANTUM DOTS; COLLOIDAL PBSE; CYTOTOXICITY; EFFICIENCY; CONVERSION; PHASE; LIGHT; CDSE AB Infrared-emitting nanocrystal quantum dots (NQDs) have enormous potential as an enabling technology for applications ranging from tunable infrared lasers to biological labels. Notably, lead chalcogenide NQDs, especially PbSe NQDs, provide efficient emission over a large spectral range in the infrared, but their application has been limited by instability in emission quantum yield and peak position on exposure to ambient conditions. Conventional methods for improving NQD stability by applying a shell of a more stable, wider band gap semiconductor material are frustrated by the tendency of lead chalcogenide NQDs toward Ostwald ripening at even moderate reaction temperatures. Here, we describe a partial cation-exchange method in which we take advantage of this lability to controllably synthesize PbSe/CdSe core/ shell NQDs. Critically, these NQDs are stable against fading and spectral shifting. Further, these NQDs can undergo additional shell growth to produce PbSe/CdSe/ZnS core/shell/shell NQDs that represent initial steps toward bright, biocompatible near-infrared optical labels. C1 [Pietryga, Jeffrey M.; Werder, Donald J.; Casson, Joanna L.; Schaller, Richard D.; Klimov, Victor I.; Hollingsworth, Jennifer A.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Williams, Darrick J.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Hollingsworth, JA (reprint author), Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. EM jenn@lanl.gov OI Klimov, Victor/0000-0003-1158-3179 NR 25 TC 274 Z9 274 U1 15 U2 135 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 9 PY 2008 VL 130 IS 14 BP 4879 EP 4885 DI 10.1021/ja710437r PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 283NU UT WOS:000254643900043 PM 18341344 ER PT J AU Gabitto, J Tsouris, C AF Gabitto, Jorge Tsouris, Costas TI Drag coefficient and settling velocity for particles of cylindrical shape SO POWDER TECHNOLOGY LA English DT Article DE drag coefficient; drag force; settling velocity; terminal velocity; cylindrical particles ID NONSPHERICAL PARTICLES; PREDICTION; CYLINDERS AB Solid particles of cylindrical shape play a significant role in many separations processes. Explicit equations for the drag coefficient and the terminal velocity of free-falling cylindrical particles have been developed in this work. The developed equations are based on available experimental data for falling cylindrical particles in all flow regimes. The aspect ratio (i.e., length-over-diameter ratio) has been used to account for the particle shape. Comparisons with correlations proposed by other researchers using different parameters to account for the geometry are presented. Good agreement is found for small aspect ratios, and increasing differences appear when the aspect ratio increases. The aspect ratio of cylindrical particles satisfactorily accounts for the geometrical influence on fluid flow of settling particles. (c) 2007 Elsevier B.V. All rights reserved. C1 [Gabitto, Jorge; Tsouris, Costas] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Gabitto, Jorge] Prairie View A&M Univ, Dept Chem Engn, Prairie View, TX 77446 USA. RP Tsouris, C (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM tsoutisc@ornl.gov RI Tsouris, Costas/C-2544-2016 OI Tsouris, Costas/0000-0002-0522-1027 NR 26 TC 30 Z9 34 U1 3 U2 28 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0032-5910 J9 POWDER TECHNOL JI Powder Technol. PD APR 9 PY 2008 VL 183 IS 2 BP 314 EP 322 DI 10.1016/j.powtec.2007.07.031 PG 9 WC Engineering, Chemical SC Engineering GA 293DD UT WOS:000255314200021 ER PT J AU Ren, GQ Lin, Z Gilbert, B Zhang, J Huang, F Liang, JK AF Ren, Guoqiang Lin, Zhang Gilbert, Benjamin Zhang, Jing Huang, Feng Liang, Jingkui TI Evolution of ZnS nanostructure morphology under interfacial free-energy control SO CHEMISTRY OF MATERIALS LA English DT Article ID ZINC-SULFIDE; CDSE NANOCRYSTALS; SURFACE-CHEMISTRY; QUANTUM DOTS; OXIDE; NANOPARTICLES; SUPERLATTICES; NANOBELTS; GROWTH AB Under hydrothermal conditions and extremely high NaOH activity, ZnS forms nanostructures with complex morphologies that are based upon individual or interpenetrating nanosheets. Nanostructure morphology is independent of the size of the ZnS precursor (3 nm, 20 nm, or bulk) but varies systematically with NaOH concentration, producing compact microspheres, open nest- and flowerlike structures, and finally, individual nanosheets. The observations are consistent with a concept of nanostructure morphology controlled by a single parameter-the interfacial free energy of the ZnS (001) face. The synthesis of thermodynamically stable nanostructures open opportunities for new synthetic routes of materials with complex architectures. C1 [Ren, Guoqiang; Lin, Zhang; Zhang, Jing; Huang, Feng] Chinese Acad Sci, Fujian Inst Res Struct Matter, Natl Engn Res Ctr Optoelect Crystalline Mat, Fuzhou 350002, Fujian, Peoples R China. [Gilbert, Benjamin] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Liang, Jingkui] Chinese Acad Sci, Ctr Condensed Matter Phys, Beijing 100080, Peoples R China. [Liang, Jingkui] Chinese Acad Sci, Inst Phys, Beijing 100080, Peoples R China. RP Huang, F (reprint author), Chinese Acad Sci, Fujian Inst Res Struct Matter, Natl Engn Res Ctr Optoelect Crystalline Mat, Fuzhou 350002, Fujian, Peoples R China. EM fhuang@fjirsm.ac.cn RI Gilbert, Benjamin/E-3182-2010; Zhang, Jing/N-4621-2014 NR 30 TC 28 Z9 29 U1 2 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD APR 8 PY 2008 VL 20 IS 7 BP 2438 EP 2443 DI 10.1021/cm703308s PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 282ZA UT WOS:000254605000006 ER PT J AU Nyman, M Powers, CR Bonhomme, F Alam, TM Maginn, EJ Hobbs, DT AF Nyman, May Powers, Craig R. Bonhomme, Francois Alam, Todd M. Maginn, Edward J. Hobbs, David T. TI Ion-exchange behavior of one-dimensional linked dodecaniobate Keggin ion materials SO CHEMISTRY OF MATERIALS LA English DT Article ID STRUCTURAL-CHARACTERIZATION; AQUEOUS-SOLUTIONS; METAL-CATIONS; CLUSTERS; CHAIN; STRONTIUM; FRAMEWORK; WATER; HETEROPOLYNIOBATES; COMPLEXATION AB Ion-exchange media for cation or anion separations are employed in private industries such as mining, pharmaceutical, and chemical. Government organizations utilize ion-exchange processes for water treatment, environmental remediation and preservation, and nuclear waste treatment. Here, we present an investigation of the ion-exchange behavior of polyoxoniobate materials. Dodecaniobate Keggin ions, [TNb12O40](16-) (T = Si, Ge) linked by cationic dimer bridges, [Nb2O2](6+) or [Ti2O2](4+) form a one-dimensional anionic framework, charge-balanced by hydrated Na+ cations. The hydrated sodium resides in interchain tunnels, only loosely associated with the Keggin chains, a geometry that provides rapid exchange kinetics and high exchange capacity. The lattice water is extremely mobile and could not be located on fixed crystallographic positions. Rather, we characterized the water loading by both thermogravimetric studies and computational studies. The LeBail method was used to quantify unit cell change of Keggin chain materials in which the sodium was exchanged completely with Sr2+, Cd2+, and Yb3+. We located Sr2+ sites in the Sr-exchanged phase by Rietveld refinement. Ideal sites for Sr2+ in the interchain space were also predicted by computational studies, and the experimental and theoretical results were compared. Finally, we investigated the selectivity of the Keggin-chain phases for sorption of radionuclides Sr, Np, and Pu from high ionic strength, highly caustic simulants for Savannah River Site's nuclear wastes. C1 [Nyman, May; Bonhomme, Francois; Alam, Todd M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Powers, Craig R.; Maginn, Edward J.] Univ Notre Dame, Dept Chem & Biomol Engn, Notre Dame, IN 46556 USA. [Hobbs, David T.] Westinghouse Savannah River Co, Savannah River Lab, Aiken, SC 29808 USA. RP Nyman, M (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mdnyman@sandia.gov NR 44 TC 33 Z9 33 U1 2 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD APR 8 PY 2008 VL 20 IS 7 BP 2513 EP 2521 DI 10.1021/cm800158u PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 282ZA UT WOS:000254605000015 ER PT J AU Hibbs, MR Hickner, MA Alam, TM McIntyre, SK Fujimoto, CH Cornelius, CJ AF Hibbs, Michael R. Hickner, Michael Ai Alam, Todd M. McIntyre, Sarah K. Fujimoto, Cy H. Cornelius, Chris J. TI Transport properties of hydroxide and proton conducting membranes SO CHEMISTRY OF MATERIALS LA English DT Article ID ANION-EXCHANGE MEMBRANES; FUEL-CELLS; BLOCK-COPOLYMERS; STATE; WATER; POLYMERIZATION; HYDROGEN; METHANOL; SOLVENT; SYSTEMS AB Hydroxide anion conducting solid polymer membranes, also termed anion exchange membranes, are becoming important materials for electrochemical technology, and activity in this field, spurred by renewed interest in alkaline fuel cells, is experiencing a resurgence. Solid polymer anion exchange membranes enable alkaline electrochemistry in devices such as fuel cells and electrolyzers and serve as a counterpoint to proton exchange membranes, of which there is a large body of literature. For their seeming importance, the details of transport in alkaline exchange membranes has not been explored thoroughly. In this work, a chloromethylated polymer with a polysulfone backbone was synthesized. H-1 NMR spectroscopy was performed to determine the chloromethyl content and its position on the polymer structure. The chloromethylated polymer was solution cast to form clear, creasable films, and subsequent soaking of these films in aqueous trimethylamine gave benzyltrimethylammonium groups. The resulting anion exchange membranes swell in water and show varying degrees of ionic conductivity depending on their ion exchange capacity. The water mobility in the anion exchange membranes was greater than in previously studied proton exchange membranes; however, the transport properties in these new materials were lower than what might have been expected from the water behavior. This comparison gives some insight as to future anion exchange membrane design objectives. C1 [Hibbs, Michael R.; Alam, Todd M.; McIntyre, Sarah K.; Fujimoto, Cy H.; Cornelius, Chris J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Hickner, Michael Ai] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. RP Cornelius, CJ (reprint author), Sandia Natl Labs, POB 5800,Mailstop 0734, Albuquerque, NM 87185 USA. EM cjcomc@sandia.gov NR 24 TC 215 Z9 223 U1 9 U2 161 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD APR 8 PY 2008 VL 20 IS 7 BP 2566 EP 2573 DI 10.1021/cm703263n PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 282ZA UT WOS:000254605000021 ER PT J AU Rawal, A Wei, X Akinc, A Schmidt-Rohr, K AF Rawal, A. Wei, X. Akinc, A. Schmidt-Rohr, K. TI Dispersion of silicate in tricalcium phosphate elucidated by solid-state NMR SO CHEMISTRY OF MATERIALS LA English DT Article ID NUCLEAR-MAGNETIC-RESONANCE; STABILIZED CALCIUM PHOSPHATES; CRYSTAL-STRUCTURE; SPECTROSCOPY; ZEOLITES; SI AB The dispersion of silicate in tricalcium phosphate, a resorbable bioceramics for bone replacement, has been investigated by various solid-state nuclear magnetic resonance (NMR) methods. In samples prepared with 5 and 10 mol % of both (29)SiO(2) and ZnO, three types of silicate have been detected: (i) SiO(4)(4-) (Q(0) sites) with long longitudinal (T(1,Si)) relaxation times (similar to 10 000 s), which substitute for similar to 1% of PO(4)(3-); (ii) silicate nanoinclusions containing Q(2), Q(1), and Q(0) sites with T(1,Si) similar to 100 s, which account for most of the silicon; and (iii) crystalline Q(4) (SiO(2)) with long T(1,Si). Sensitivity was enhanced > 100-fold by (29)Si enrichment and refocused detection. The inclusions in both samples have a diameter of similar to 8 nm, as proved by (29)Si{(31)P} REDOR dephasing on a 30-ms time scale, which was simulated using a multispin approach specifically suited for nanoparticles. (29)Si CODEX NMR with 30-s (29)Si spin diffusion confirms that an inclusion contains >10 Si (consistent with the REDOR result of >100 Si per inclusion). Overlapping signals of silicate Q(2), Q(1), and Q(0) sites were spectrally edited based on their J-couplings, using double-quantum filtering. The large inhomogeneous broadening of the Q(2), Q(1), and Q(0) (29)Si subspectra indicates that the nanoinclusions are amorphous. C1 [Rawal, A.; Schmidt-Rohr, K.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Wei, X.; Akinc, A.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Wei, X.; Akinc, A.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Schmidt-Rohr, K (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM srohr@iastate.edu NR 31 TC 17 Z9 17 U1 4 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD APR 8 PY 2008 VL 20 IS 7 BP 2583 EP 2591 DI 10.1021/cm702928h PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 282ZA UT WOS:000254605000023 ER PT J AU Field, RV AF Field, R. V., Jr. TI A decision-theoretic method for surrogate model selection SO JOURNAL OF SOUND AND VIBRATION LA English DT Article ID PENETRATION; TARGETS AB The use of surrogate models to approximate computationally expensive simulation models, e.g., large comprehensive finite element models, is widespread. Typical uses of surrogate models include design, optimization, sensitivity analysis and/or uncertainty quantification. A surrogate model is defined by a postulated functional form, and values for the surrogate model parameters are estimated using results from it limited number of solutions to the comprehensive model. In general, there may be multiple surrogate models, each defined by possibly a different functional form, consistent with the limited data from the comprehensive model. We refer to each as a candidate surrogate model. Methods are developed and applied to select the optimal surrogate model from the collection of candidate surrogate models. One approach is to select the surrogate model that best fits the data provided by the comprehensive model, regardless of its intended use. The proposed approach applies techniques from decision theory, where postulated utility functions are used to account for the model use within the selection process. Three applications are presented to illustrate the methods. These include surrogate model selection for the purpose of: (1) estimating the minimum of a deterministic function, (2) the design under uncertainty of a simple oscillator, and (3) the uncertainty quantification of it complex engineering system subject to a severe shock and vibration environment. (c) 2007 Elsevier Ltd. All rights reserved.. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Field, RV (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rvfield@sandia.gov RI Field, Richard/K-6468-2013 OI Field, Richard/0000-0002-2765-7032 NR 30 TC 2 Z9 2 U1 0 U2 3 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-460X J9 J SOUND VIB JI J. Sound Vibr. PD APR 8 PY 2008 VL 311 IS 3-5 BP 1371 EP 1390 DI 10.1016/j.jsv.2007.10.030 PG 20 WC Acoustics; Engineering, Mechanical; Mechanics SC Acoustics; Engineering; Mechanics GA 272PR UT WOS:000253872300047 ER PT J AU Li, H Curro, JG Wu, DT Habenschuss, A AF Li, Huimin Curro, John G. Wu, David T. Habenschuss, Anton TI X-ray scattering of vinyl polyolefin liquids and random copolymers: Theory and experiment SO MACROMOLECULES LA English DT Article ID INTEGRAL-EQUATION THEORY; UNITED-ATOM DESCRIPTION; POLYMER MELTS; TRANSFERABLE POTENTIALS; EQUILIBRIUM-THEORY; EXCESS ELECTRONS; PHASE-EQUILIBRIA; SIMPLE FLUIDS; TEMPERATURE; DIFFRACTION AB Polymer reference interaction site model (PRISM) calculations and wide-angle X-ray experiments were performed on vinyl polyolefin melts of polyethylene (PE), isotactic polypropylene (iPP), and poly(I-butene) (P1B). PRISM calculations were also carried out on poly(1-hexene) (P1H). For PE and iPP melts a single main peak in the scattering pattern was observed near wave vectors k similar to 1 angstrom(-1); for P1B and P1H we observed this main peak to split with the development of a prepeak that moves to lower wave vectors as the side chain size increased. By calculation of the various partial structure factors, we found that the prepeak formation is due to a combination of two effects: (1) an increase in the average distance between the chain backbones due to screening of the side chains and (2) increased intermolecular ordering of the pendant methyl groups as the side chains become longer. The scattering of random copolymers (PEP, PEB, PEH) of PE with iPP, P1B, and P1H, respectively, was also studied with PRISM theory as a function of composition. Development of a prepeak in the scattering from PEB and PEH was predicted to occur at copolymer compositions of less than 50% PE. No prepeak was predicted to occur at any composition in the PEP copolymer. C1 [Curro, John G.] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. [Li, Huimin; Wu, David T.] Colorado Sch Mines, Dept Chem Engn, Golden, CO 80401 USA. [Wu, David T.] Colorado Sch Mines, Dept Chem, Golden, CO 80401 USA. [Habenschuss, Anton] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Curro, JG (reprint author), Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. NR 39 TC 13 Z9 13 U1 0 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD APR 8 PY 2008 VL 41 IS 7 BP 2694 EP 2700 DI 10.1021/ma702748v PG 7 WC Polymer Science SC Polymer Science GA 283OG UT WOS:000254645200058 ER PT J AU Stone, HJ Peet, MJ Bhadeshia, HKDH Withers, PJ Babu, SS Specht, ED AF Stone, H. J. Peet, M. J. Bhadeshia, H. K. D. H. Withers, P. J. Babu, S. S. Specht, E. D. TI Synchrotron X-ray studies of austenite and bainitic ferrite SO PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES LA English DT Article DE bainite; austenite; synchrotron ID LOW-TEMPERATURE BAINITE; IN-SITU OBSERVATIONS; LATTICE-PARAMETER; SILICON STEEL; ATOM-PROBE; TRANSFORMATION; DIFFRACTION; CARBON; DESIGN; PLATES AB High-resolution synchrotron X-ray diffraction has been used to conduct in situ studies of the temporal evolution of phases during the isothermal growth of bainite. Two populations of austenitic material were identified: one corresponding to the initial austenite and the other to the carbon-enriched austenite associated with the bainitic ferrite. The observed lattice parameters and the asymmetry of the peaks from the residual austenite have been interpreted in terms of the carbon partitioning due to the transformation. The results are contrasted with an earlier study in which the austenite unit cell appeared to split into two distinct densities prior to the onset of transformation. C1 [Stone, H. J.; Peet, M. J.; Bhadeshia, H. K. D. H.; Withers, P. J.; Babu, S. S.; Specht, E. D.] Univ Cambridge, Dept Mat Sci & Met, Cambridge CB2 3QZ, England. [Babu, S. S.] Ohio State Univ, Columbus, OH 43221 USA. [Withers, P. J.] Univ Manchester, Sch Mat, Manchester M1 7HS, Lancs, England. [Specht, E. D.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Bhadeshia, HKDH (reprint author), Univ Cambridge, Dept Mat Sci & Met, Cambridge CB2 3QZ, England. EM hkdb@cam.ac.uk RI Peet, Mathew/B-9284-2009; Babu, Sudarsanam/D-1694-2010; Withers, Philip/A-6760-2009; Specht, Eliot/A-5654-2009; OI Peet, Mathew/0000-0002-0162-0063; Babu, Sudarsanam/0000-0002-3531-2579; Specht, Eliot/0000-0002-3191-2163; Stone, Howard/0000-0002-9753-4441 NR 43 TC 45 Z9 45 U1 3 U2 24 PU ROYAL SOC PI LONDON PA 6-9 CARLTON HOUSE TERRACE, LONDON SW1Y 5AG, ENGLAND SN 1364-5021 J9 P R SOC A JI Proc. R. Soc. A-Math. Phys. Eng. Sci. PD APR 8 PY 2008 VL 464 IS 2092 BP 1009 EP 1027 DI 10.1098/rspa.2007.0201 PG 19 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 266OR UT WOS:000253446200012 ER PT J AU Benedetti, LR Antonangeli, D Farber, DL Mezouar, M AF Benedetti, Laura Robin Antonangeli, Daniele Farber, Daniel L. Mezouar, Mohamed TI An integrated method to determine melting temperatures in high-pressure laser-heating experiments SO APPLIED PHYSICS LETTERS LA English DT Article ID X-RAY-DIFFRACTION; HEATED DIAMOND-CELL; IMAGING SPECTRORADIOMETRY; ANVIL CELL; CRITERIA; ESRF AB We present an integrated approach for the determination of melting in the laser-heated diamond-anvil cell by simultaneously monitoring several criteria. We combine x-ray diffraction based observations with detection of discontinuities in optical properties by spectroradiometric measurements. This approach increases the confidence of melt identification, especially with low-Z samples. We demonstrate the efficacy of the method with observations of melt in oxygen at 47 GPa (1500 K) and at 55 GPa (1850 K). (C) 2008 American Institute of Physics. C1 [Benedetti, Laura Robin; Antonangeli, Daniele; Farber, Daniel L.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Mezouar, Mohamed] European Synchrotron Radiat Facil, F-38043 Grenoble, France. RP Benedetti, LR (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94550 USA. EM lrbenedetti@gmail.com RI Farber, Daniel/F-9237-2011 NR 16 TC 6 Z9 6 U1 3 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 7 PY 2008 VL 92 IS 14 AR 141903 DI 10.1063/1.2906893 PG 3 WC Physics, Applied SC Physics GA 287TX UT WOS:000254940500022 ER PT J AU Choudhury, S Li, YL Chen, LQ Jia, QX AF Choudhury, S. Li, Y. L. Chen, L. Q. Jia, Q. X. TI Strain effect on coercive field of epitaxial barium titanate thin films SO APPLIED PHYSICS LETTERS LA English DT Article ID THICKNESS DEPENDENCE; DEPOSITION AB Strain is generally known to increase the coercive field of a ferroelectric thin film as compared to a stress-free single crystal or a strain-relaxed film. We studied the coercive fields and remanent polarizations of (001)-oriented epitaxial barium titanate thin films using the phase-field approach. It is demonstrated, while the remanent polarization decreases as in-plane strain changes from being compressive to tensile, the variation of coercive field with strain is complicated. We noted more than two times drop in coercive field with a reduction of compressive strain of only similar to 0.05%, which we attribute to the existence of multiple ferroelectric phases. (C) 2008 American Institute of Physics. C1 [Choudhury, S.; Li, Y. L.; Chen, L. Q.] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Jia, Q. X.] Los Alamos Natl Lab, MPA STC, MS K763, Los Alamos, NM 87545 USA. RP Choudhury, S (reprint author), Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. EM sxc398@psu.edu RI Choudhury, Samrat/B-4115-2009; Jia, Q. X./C-5194-2008; Chen, LongQing/I-7536-2012 OI Chen, LongQing/0000-0003-3359-3781 NR 24 TC 25 Z9 26 U1 1 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 APR 7 PY 2008 VL 92 IS 14 AR 142907 DI 10.1063/1.2908210 PG 3 WC Physics, Applied SC Physics GA 287TX UT WOS:000254940500065 ER PT J AU Erhart, P Sadigh, B Caro, A AF Erhart, Paul Sadigh, Babak Caro, Alfredo TI Are there stable long-range ordered Fe(1-x)Cr(x) compounds? SO APPLIED PHYSICS LETTERS LA English DT Article ID TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; MOLECULAR-DYNAMICS; BASIS-SET; ALLOYS; TRANSITION; SIMULATION; METALS AB The heat of formation of Fe-Cr alloys undergoes an anomalous change of sign at small Cr concentrations. This observation raises the question as to whether there are intermetallic phases present in this composition range. Here, we report the discovery of several long-range ordered structures that represent ground state phases at 0 K. In particular, we have identified a structure at 3.7% Cr with an embedding energy which is 49 meV/Cr atom below the solid solution. This implies that there is an effective long-range attractive interaction between Cr atoms. We propose that the structures found in this study complete the low temperature-low Cr region of the phase diagram. (C) 2008 American Institute of Physics. C1 [Erhart, Paul; Sadigh, Babak; Caro, Alfredo] Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, Livermore, CA 94550 USA. RP Erhart, P (reprint author), Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, Livermore, CA 94550 USA. EM erhart1@llnl.gov RI Erhart, Paul/G-6260-2011 OI Erhart, Paul/0000-0002-2516-6061 NR 18 TC 31 Z9 31 U1 2 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 7 PY 2008 VL 92 IS 14 AR 141904 DI 10.1063/1.2907337 PG 3 WC Physics, Applied SC Physics GA 287TX UT WOS:000254940500023 ER PT J AU Gruen, DM Bruno, P Xie, M AF Gruen, Dieter M. Bruno, Paola Xie, Ming TI Configurational, electronic entropies and the thermoelectric properties of nanocarbon ensembles SO APPLIED PHYSICS LETTERS LA English DT Article ID CARBON NANOTUBES; GRAPHITE; NITROGEN; BORON AB Reaction of disperse ultrananocrystalline diamond (UNCD) and mixtures of UNCD containing 10%-20% nanoboron carbide (B(4)C) with methane gas at temperatures near 1200 K results in mechanically rigid compacts called nanocarbon ensembles (NCE) and boron-doped NCE, respectively. Seebeck coefficient and electrical conductivity results lead to strongly temperature dependent power factors that increase 30-40 fold for boron containing ensembles compared to undoped material. It is likely that boron substitutional doping of nanographite crystallites results in a multiplicity of electronic states within a narrow energy band around the Fermi level leading to an increase in configurational electronic entropy. (C) 2008 American Institute of Physics. C1 [Gruen, Dieter M.; Bruno, Paola; Xie, Ming] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Xie, Ming] Michigan Technol Univ, Dept Phys, Houghton, MI 49931 USA. RP Gruen, DM (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dmgruen@anl.gov RI xie, ming/A-1438-2012; bruno, paola/G-5786-2011 NR 18 TC 4 Z9 4 U1 0 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 7 PY 2008 VL 92 IS 14 AR 143118 DI 10.1063/1.2909150 PG 3 WC Physics, Applied SC Physics GA 287TX UT WOS:000254940500087 ER PT J AU Suvorova, NA Usov, IO Stan, L DePaula, RF Dattelbaum, AM Jia, QX Suvorova, AA AF Suvorova, N. A. Usov, I. O. Stan, L. DePaula, R. F. Dattelbaum, A. M. Jia, Q. X. Suvorova, A. A. TI Structural and optical properties of ZnO thin films by rf magnetron sputtering with rapid thermal annealing SO APPLIED PHYSICS LETTERS LA English DT Article ID ABSORPTION AB Epitaxial ZnO thin films were grown on c-plane sapphire substrates by rf magnetron sputtering at room temperature followed by a rapid thermal annealing process. We found that crystallinity of the films was strongly affected by the partial oxygen pressure during deposition. Both x-ray diffraction and transmission electron microscopy studies revealed that the ZnO films grow epitaxially predominantly with aligned ZnO domains. An unresolved excitonic resonance was observed in the optical absorption spectrum. Nevertheless, refractive index and absorption edge of the ZnO films are similar to that of single crystal ZnO. (C) 2008 American Institute of Physics. C1 [Suvorova, N. A.; Usov, I. O.; Stan, L.; DePaula, R. F.; Dattelbaum, A. M.; Jia, Q. X.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Suvorova, A. A.] Univ Western Australia, Ctr Microscopy Characterizat & Anal, Crawley, WA 6009, Australia. RP Suvorova, NA (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM natalyas@lanl.gov; qxjia@lanl.gov RI Suvorova, Alexandra/B-9335-2011; Jia, Q. X./C-5194-2008 OI Suvorova, Alexandra/0000-0001-8970-6058; NR 12 TC 19 Z9 21 U1 1 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 7 PY 2008 VL 92 IS 14 AR 141911 DI 10.1063/1.2896642 PG 3 WC Physics, Applied SC Physics GA 287TX UT WOS:000254940500030 ER PT J AU Zeng, L Huegel, A Helgren, E Hellman, F Piamonteze, C Arenholz, E AF Zeng, Li Huegel, A. Helgren, E. Hellman, F. Piamonteze, C. Arenholz, E. TI X-ray absorption study of the electronic structure of Mn-doped amorphous Si SO APPLIED PHYSICS LETTERS LA English DT Article ID MAGNETIC-PROPERTIES; TRANSITION-METALS; SEMICONDUCTORS; SILICON AB The electronic structure of Mn in amorphous Si (a-Mn(x)Si(1-x)) is studied by x-ray absorption spectroscopy at the Mn L(3,2) edges for x=0.005-0.18. Except for the x=0.005 sample, which shows a slight signature of Mn(2+) atomic multiplets associated with a local Mn moment, all samples have broad and featureless L(3,2) absorption peaks, corresponding to an itinerant state for all 3d electrons. The broad x-ray absorption spectra exclude the possibility of a localized 3d moment and explain the unexpectedly quenched Mn moment in this magnetically doped amorphous semiconductor. Such a fully delocalized d state of Mn dopant in Si has not been previously suggested. (c) 2008 American Institute of Physics. C1 [Zeng, Li; Huegel, A.; Helgren, E.; Hellman, F.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Piamonteze, C.; Arenholz, E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Zeng, L (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM li_zeng@berkeley.edu RI Zeng, Li/B-5932-2008; MSD, Nanomag/F-6438-2012; Piamonteze, Cinthia/E-9740-2016 NR 19 TC 15 Z9 15 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 7 PY 2008 VL 92 IS 14 AR 142503 DI 10.1063/1.2908050 PG 3 WC Physics, Applied SC Physics GA 287TX UT WOS:000254940500054 ER PT J AU Bowmaker, GA Hanna, JV Hahn, FE Lipton, AS Oldham, CE Skelton, BW Smith, ME White, AH AF Bowmaker, Graham A. Hanna, John V. Hahn, F. Ekkehardt Lipton, Andrew S. Oldham, Carolyn E. Skelton, Brian W. Smith, Mark E. White, Allan H. TI Structural and spectroscopic studies of some copper(I) halide tert-butyl isocyanide adducts SO DALTON TRANSACTIONS LA English DT Article ID LEWIS-BASE ADDUCTS; GROUP-11 METAL(I) COMPOUNDS; NUCLEAR-MAGNETIC-RESONANCE; FAR INFRARED-SPECTROSCOPY; CRYSTAL-STRUCTURES; PYRIDINE BASES; NMR; COMPLEXES; CYANIDE; AL-27 AB Single-crystal structural characterizations confirm the existence of the unusual 1 : 4 copper(I) halide : unidentate ligand adducts [Cu(CNt-Bu)(4)]X for X = Cl, Br (two forms), I (the chloride and one form of the bromide being solvated) with crystal packing dominated by stacks of interleaving cations. Cu-C range between 1.941(2) and 1.972(4) angstrom. The structure of the 1 : 2 chloride complex is also recorded, being [ClCu(CNt-BU)(2)], with the copper(I) atom environment trigonal planar, while CuCN: (CNt-Bu) (1 : 1) is a single-stranded polymer which spirals about a crystallographic 3-axis (CN scrambled), the ligands being pendant from the ...CuCNCuCN... string. The Cu-65 static broadline NMR spectra of [Cu(CNt-BU)(4)]I and [Cu(CNt-Bu)(4)]Br center dot H2O in the solid state exhibit dominant, narrow -1/2 <-> +1/2 central transition resonances and associated +/- 1/2 <-> +/- 3/2 satellite transition resonances which are characteristic of first-order quadrupole broadened systems, while associated high-resolution Cu-65 MAS NMR data provide accurate measurement of the (CU)-C-65 isotropic chemical shifts. Both approaches provide complete data on the quadrupole and chemical shift interactions which contribute to these spectra. Far-IR spectra of products of reactions involving a range of CuX : t-BuNC ratios reveal the existence of 1 : 1.5 adducts for X = Br, I. Metal-carbon and metal-halogen bands are assigned in the far-IR spectra, which indicate a binuclear double halogen-bridged structure for the 1 : 1.5 complexes. C1 [Bowmaker, Graham A.] Univ Auckland, Dept Chem, Auckland, New Zealand. [Hanna, John V.] Australian Nucl Sci & Technol Org, NMR Facil, Inst Mat Engn, Lucas Heights Res Labs, Menai, NSW 2234, Australia. [Hahn, F. Ekkehardt] Univ Munster, Inst Anorgan & Analyt Chem, Munster, Germany. [Lipton, Andrew S.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Oldham, Carolyn E.; Skelton, Brian W.; White, Allan H.] Univ Western Australia, Sch Biomed Biomol & Chem Sci, Crawley, WA 6009, Australia. [Smith, Mark E.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. RP Bowmaker, GA (reprint author), Univ Auckland, Dept Chem, Private Bag 92019, Auckland, New Zealand. EM ga.bowmaker@auckland.ac.nz RI White, Allan/K-2518-2012; Skelton, Brian/K-2532-2012; Oldham, Carolyn/F-8458-2013 NR 35 TC 18 Z9 18 U1 2 U2 18 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PD APR 7 PY 2008 IS 13 BP 1710 EP 1720 DI 10.1039/b712815k PG 11 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 289DP UT WOS:000255035500008 PM 18354768 ER PT J AU Gout, D Gourdon, O Bauer, ED Ronning, F Thompon, JD Proffen, T AF Gout, D. Gourdon, O. Bauer, E. D. Ronning, F. Thompon, J. D. Proffen, Th. TI An experimental and theoretical study of the variation of 4f hybridization across the La1-xCexIn3 series SO INORGANIC CHEMISTRY LA English DT Article ID SUPERCONDUCTIVITY; CERHIN5; CEIRIN5; TIN AB Crystal structures of a series of La1-xCexIn3 (x = 0.02, 0.2, 0.5, or 0.8) intermetallic compounds have been investigated by both neutron and X-ray diffraction, and their physical properties have been characterized by magnetic susceptibility and specific heat measurements. Our results emphasize atypical atomic displacement parameters (ADP) for the In and the rare-earth sites. Depending on the x value, the In ADP presents either an "ellipsoidal" elongation (La-rich compounds) or a "butterfly-like" distortion (Ce-rich compounds). These deformations have been understood by theoretical techniques based on the band theory and are the result of hybridization between conduction electrons and 4f-electrons. C1 [Gout, D.; Gourdon, O.; Proffen, Th.] Los Alamos Neutron Sci Ctr, Los Alamos, NM 87545 USA. [Bauer, E. D.; Ronning, F.; Thompon, J. D.] Los Alamos Natl Lab, Mat Phys & Appl Div, Los Alamos, NM 87545 USA. RP Gout, D (reprint author), Los Alamos Neutron Sci Ctr, Los Alamos, NM 87545 USA. EM gout@lanl.gov RI Bauer, Eric/D-7212-2011; Lujan Center, LANL/G-4896-2012; Proffen, Thomas/B-3585-2009; OI Proffen, Thomas/0000-0002-1408-6031; Ronning, Filip/0000-0002-2679-7957; Bauer, Eric/0000-0003-0017-1937 NR 29 TC 1 Z9 1 U1 1 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD APR 7 PY 2008 VL 47 IS 7 BP 2569 EP 2575 DI 10.1021/ic701930j PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 282YP UT WOS:000254603900046 PM 18321041 ER PT J AU Sampath, S Kolesnikov, AI Lantzky, KM Yarger, JL AF Sampath, Sujatha Kolesnikov, Alexander I. Lantzky, Kristina M. Yarger, Jeffery L. TI Vibrational dynamics of amorphous beryllium hydride and lithium beryllium hydrides SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID CRYSTAL-STRUCTURE; INFRARED-SPECTRA; METAL-HYDRIDES; BEH2; COMPLEXES; NEUTRON; POLYMERS; HYDROGEN; ICE AB The vibrational density of states of amorphous beryllium hydride (a-BeH(2)) and lithium beryllium hydrides have been studied using inelastic neutron scattering, infrared, and Raman spectroscopies. The positions of the symmetrical (120-180 meV) and antisymmetrical (200-260 meV) Be-H stretching modes and those of the H-Be-H bending mode (50-120 meV) have been determined and the results discussed and compared with recent theoretical calculations. With the addition of lithium to the beryllium hydride network, the vibrational bands are shifted to lower energies, indicating a less rigid network. C1 [Sampath, Sujatha; Yarger, Jeffery L.] Arizona State Univ, Dept Chem & Biochem, Tempe, AZ 85287 USA. [Sampath, Sujatha; Kolesnikov, Alexander I.] Argonne Natl Lab, Intense Pulsed Neutron Source, Argonne, IL 60439 USA. [Lantzky, Kristina M.] St John Fisher Coll, Dept Chem, Rochester, NY 14618 USA. RP Sampath, S (reprint author), Arizona State Univ, Dept Chem & Biochem, Tempe, AZ 85287 USA. EM sujatha.sampath@asu.edu; jeff.yarger@asu.edu RI Yarger, Jeff/L-8748-2014; Kolesnikov, Alexander/I-9015-2012 OI Yarger, Jeff/0000-0002-7385-5400; Kolesnikov, Alexander/0000-0003-1940-4649 NR 43 TC 7 Z9 9 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 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 7 PY 2008 VL 128 IS 13 AR 134512 DI 10.1063/1.2842079 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 285LR UT WOS:000254778800036 PM 18397082 ER PT J AU Durst, K Goken, M Pharr, GM AF Durst, Karsten Goeken, Mathias Pharr, George M. TI Indentation size effect in spherical and pyramidal indentations SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 3rd International Indentation Workshop CY JUL 15-20, 2007 CL Univ Cambridge, Cavendish Lab, Cambridge, ENGLAND HO Univ Cambridge, Cavendish Lab ID STRAIN GRADIENT PLASTICITY; FINITE-ELEMENT SIMULATIONS; METALLIC MATERIALS; SINGLE-CRYSTALS; COPPER; NANOINDENTATION; DEFORMATION; NANOHARDNESS; DISLOCATIONS; DEPENDENCE AB The indentation size effect (ISE) is studied for spherical and pyramidal indentations on a Ni poly-crystal. The indentation experiments were conducted using a Berkovich geometry as well as different spherical indenters with radii of 0.38, 3.8 and 51.0 mu m. A strong ISE is observed for the material yielding a higher hardness at smaller depths or smaller sphere radii. The transition from elastic to plastic behaviour is associated with a pop-in in the load-displacement curve, in contrast to the conventional elastic-plastic transition as discussed by Tabor. The indentation response is modelled using Tabor's approach in conjunction with the uniaxial macroscopic stress-strain behaviour for calculating the statistically stored dislocation density for a given indenter geometry. The geometrically necessary dislocation (GND) density is calculated using a modified Nix/Gao approach, whereas the storage volume for GNDs is used as a parameter for the measured depth dependence of hardness. It will be shown that the ISE for both pyramidal and spherical indentations is related and can be understood within the same given framework. The indentation response of metallic materials can thus be modelled from pop-in to macroscopic hardness. C1 [Durst, Karsten; Goeken, Mathias] Univ Erlangen Nurnberg, Dept Mat Sci & Engn, D-91058 Erlangen, Germany. [Pharr, George M.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Pharr, George M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Durst, K (reprint author), Univ Erlangen Nurnberg, Dept Mat Sci & Engn, D-91058 Erlangen, Germany. EM karsten.durst@ww.uni-erlangen.de; m.goeken@ww.uni-erlangen.de; pharr@utk.edu RI Durst, Karsten/D-1262-2011; Goken, Mathias/F-7940-2015; OI Goken, Mathias/0000-0002-3226-0304; Durst, Karsten/0000-0002-9246-6398 NR 22 TC 0 Z9 0 U1 2 U2 33 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0022-3727 J9 J PHYS D APPL PHYS JI J. Phys. D-Appl. Phys. PD APR 7 PY 2008 VL 41 IS 7 AR 074005 DI 10.1088/0022-3727/41/7/074005 PG 5 WC Physics, Applied SC Physics GA 276WF UT WOS:000254173700006 ER PT J AU Herbert, EG Oliver, WC Pharr, GM AF Herbert, E. G. Oliver, W. C. Pharr, G. M. TI Nanoindentation and the dynamic characterization of viscoelastic solids SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 3rd International Indentation Workshop CY JUL 15-20, 2007 CL Univ Cambridge, Cavendish Lab, Cambridge, ENGLAND HO Univ Cambridge, Cavendish Lab ID INSTRUMENTED INDENTATION; LOAD; IDENTIFICATION; BEHAVIOR; MODULUS AB Using a high-damping thermoplastic as a standard reference material, the purpose of this work is to compare measured values of the complex modulus as determined by dynamic nanoindentation and dynamic mechanical analysis (DMA). Experiments were performed at approximately 22 degrees C and seven frequencies over the range 1-50 Hz. The indentation measurements were performed using a 103 mu m diameter flat punch and a newly developed test method that optimizes the accuracy and precision of the measured stiffness and damping. As determined by dynamic nanoindentation, values of the storage modulus and loss factor ( tangent delta) ranged from 4.2 to 10.2MPa, and 0.28 to 1.05, respectively. Over the range 1-25 Hz, DMA confirmed the nanoindentation results to within 15% or better. Collectively, these data and the testing methods used to generate them should help future investigators make more accurate and precise measurements of the dynamic properties of viscoelastic solids using nanoindentation. C1 [Herbert, E. G.; Oliver, W. C.; Pharr, G. M.] Univ Tennessee, Coll Engn, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Herbert, E. G.; Oliver, W. C.] MTS Nano Instruments Innovat Ctr, Oak Ridge, TN 37380 USA. [Pharr, G. M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Herbert, EG (reprint author), Univ Tennessee, Coll Engn, Dept Mat Sci & Engn, 434 Dougherty Engn Bldg, Knoxville, TN 37996 USA. NR 22 TC 67 Z9 68 U1 11 U2 46 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0022-3727 EI 1361-6463 J9 J PHYS D APPL PHYS JI J. Phys. D-Appl. Phys. PD APR 7 PY 2008 VL 41 IS 7 AR 074021 DI 10.1088/0022-3727/41/7/074021 PG 9 WC Physics, Applied SC Physics GA 276WF UT WOS:000254173700022 ER PT J AU Adney, WS Taylor, LE Johnson, D Park, S Knoshaug, EP Nimlos, MR Decker, SR Vinzant, TB Selig, MJ Himmel, ME AF Adney, William S. Taylor, Larry E., II Johnson, David Park, Sunkyu Knoshaug, Eric P. Nimlos, Mark R. Decker, Stephen R. Vinzant, Todd B. Selig, Michael J. Himmel, Michael E. TI CELL 215-Deconstruction of biomass: Understanding enzyme/substrate interactions SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Adney, William S.; Taylor, Larry E., II; Johnson, David; Park, Sunkyu; Decker, Stephen R.; Vinzant, Todd B.; Selig, Michael J.; Himmel, Michael E.] Natl Renewable Energy Lab, Chem & Biosci Ctr, Golden, CO 80401 USA. [Knoshaug, Eric P.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. EM bill_adney@nrel.gov; mark_nimlos@nrel.gov; steve_decker@nrel.gov NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 215-CELL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775101389 ER PT J AU Alam, TM McIntyre, SK Fujimoto, CH Hibbs, MR Hickner, MA AF Alam, Todd M. McIntyre, Sarah K. Fujimoto, Cy H. Hibbs, Michael R. Hickner, Michael A. TI POLY 284-Pulse field gradient NMR investigations of water diffusion in proton and anion exchange membranes SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA C1 [Alam, Todd M.; McIntyre, Sarah K.] Sandia Natl Labs, Elect & Nanostruct Mat Dept, Albuquerque, NM 87185 USA. [Fujimoto, Cy H.; Hibbs, Michael R.] Sandia Natl Labs, Dept Fuels & Energy Transit, Albuquerque, NM 87185 USA. [Hickner, Michael A.] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. EM tmalam@sandia.gov; skmcint@sandia.gov; chfujim@sandia.gov; mhibbs@sandia.gov; hickner@matse.psu.edu NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 284-POLY PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519XJ UT WOS:000271802800199 ER PT J AU Alfonso, DR Miller, JB Morreale, BD AF Alfonso, Dominic R. Miller, James B. Morreale, Bryan D. TI FUEL 98-First-principles thermodynamics studies of Pd4S surfaces and their interaction with H2 SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Alfonso, Dominic R.] Parsons, Pittsburgh, PA 15129 USA. [Miller, James B.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. [Morreale, Bryan D.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM alfonso@netl.doe.gov; jbmiller@andrew.cmu.edu; bryan.morreale@netl.doe.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 98-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104678 ER PT J AU Ali, MN Chang, NN Garcia, MA Nitsche, H AF Ali, M. N. Chang, Noel N. Garcia, Mitch A. Nitsche, Heino TI CHED 768-Incorporating social networking tools to facilitate participation and discussion in nuclear chemistry SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Ali, M. N.; Chang, Noel N.; Nitsche, Heino] Univ Calif Berkeley, LBNL, Div Nucl Sci, Berkeley, CA 94720 USA. [Ali, M. N.; Chang, Noel N.; Nitsche, Heino] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Garcia, Mitch A.] Univ Calif Berkeley, Coll Chem, Berkeley, CA 94720 USA. RI Garcia, Mitch/G-2413-2010; Ali, Mazhar/C-6473-2013 OI Ali, Mazhar/0000-0002-1129-6105 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 768-CHED PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775102042 ER PT J AU Alivisatos, AP AF Alivisatos, A. Paul TI PHYS 50-Colloidal nanocrystals with complex shapes and topologies SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Alivisatos, A. Paul] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM apalivisatos@lbl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 50-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108692 ER PT J AU Alivisatos, AP AF Alivisatos, A. Paul TI COLL 294-Electrical studies of single nanocrystals SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Alivisatos, A. Paul] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM alivis@berkeley.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 294-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103721 ER PT J AU Alivisatos, AP AF Alivisatos, A. Paul TI COLL 24-Nanocrystal based solar cells SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Alivisatos, A. Paul] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM apalivisatos@lbl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 24-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103377 ER PT J AU Allendorf, MD Bauer, CA Doty, FP AF Allendorf, Mark D. Bauer, Christina A. Doty, F. P. TI INOR 312-Radiation detection materials based on metal-organic frameworks SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Allendorf, Mark D.; Doty, F. P.] Sandia Natl Labs, Microfluid Dept, Livermore, CA 94551 USA. [Bauer, Christina A.] Georgia Tech, Dept Chem, Atlanta, GA 30332 USA. EM mdallen@sandia.gov; FPDOTY@sandia.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 312-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105530 ER PT J AU Anjom, M Joseph, S Mahajan, D AF Anjom, Mouzhgun Joseph, Sheena Mahajan, Devinder TI ACSAICHE 99137-Biomass to biofuels: Catalytic conversion of biomass-derived synthesis gas to oxygenates SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Anjom, Mouzhgun] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. [Mahajan, Devinder] Brookhaven Natl Lab, Energy Sci & Technol Dept, Upton, NY 11973 USA. EM manjom@gmail.com; sheenamariam@gmail.com; dmahajan@bnl.gov NR 0 TC 0 Z9 0 U1 0 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 99137-ACSA PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775100046 ER PT J AU Arora, P Webb, SP Gordon, MS AF Arora, Pooja Webb, Simon P. Gordon, Mark S. TI PHYS 617-Solvent induced shifts in electronic spectroscopy SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Arora, Pooja] Iowa State Univ, Ames Lab, Dept Chem, Ames, IA 50011 USA. EM pooja@si.msg.chem.iastate.edu; webbsim@gmail.com; mark@si.msg.chem.iastate.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 617-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108816 ER PT J AU Asay, DB Hsiao, E Janik, M Dugger, MT Ohlhausen, JA Kim, SH AF Asay, David B. Hsiao, Erik Janik, Michael Dugger, Michael T. Ohlhausen, James A. Kim, Seong H. TI COLL 189-Lubrication of silicon oxide surfaces via equilibrium adsorption of alcohol vapor in humid environments SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Asay, David B.; Hsiao, Erik; Janik, Michael; Kim, Seong H.] Penn State Univ, Dept Chem Engn, University Pk, PA 16802 USA. [Dugger, Michael T.; Ohlhausen, James A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. EM dba111@psu.edu; Hsiao@engr.psu.edu; mtdugge@sandia.gov; jaohlha@sandia.gov; shkim@engr.psu.edu NR 0 TC 0 Z9 0 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 189-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103740 ER PT J AU Baheti, K Malen, JA Doak, P Tilley, TD Majumdar, A Segalman, RA AF Baheti, Kanhayalal Malen, Jonathan A. Doak, Peter Tilley, T. Don Majumdar, Arun Segalman, Rachel A. TI PHYS 192-Probing the chemistry of molecular heterojunctions using thermoelectricity SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Baheti, Kanhayalal; Doak, Peter; Tilley, T. Don] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Baheti, Kanhayalal; Malen, Jonathan A.; Doak, Peter; Tilley, T. Don; Majumdar, Arun] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Malen, Jonathan A.; Majumdar, Arun] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Segalman, Rachel A.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94553 USA. [Segalman, Rachel A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94553 USA. EM jonmalen@newton.berkeley.edu; segalman@berkeley.edu RI Malen, Jonathan/D-5954-2013 OI Malen, Jonathan/0000-0003-4560-4476 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 192-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109311 ER PT J AU Baheti, K Malen, JA Doak, P Tilley, TD Majumdar, A Segalman, RA AF Baheti, Kanhayalal Malen, Jonathan A. Doak, Peter Tilley, T. Don Majumdar, Arun Segalman, Rachel A. TI INOR 61-Thermopower as a tool for characterization of metal-molecule junctions SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Baheti, Kanhayalal; Doak, Peter; Tilley, T. Don] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Baheti, Kanhayalal; Malen, Jonathan A.; Doak, Peter; Tilley, T. Don; Majumdar, Arun] Lawrence Berkeley Natl Labs, Berkeley, CA 94720 USA. [Malen, Jonathan A.; Majumdar, Arun] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Segalman, Rachel A.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94553 USA. [Segalman, Rachel A.] Lawrence Berkeley Natl Labs, Berkeley, CA 94553 USA. EM jonmalen@newton.berkeley.edu; segalman@berkeley.edu RI Malen, Jonathan/D-5954-2013 OI Malen, Jonathan/0000-0003-4560-4476 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 61-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106434 ER PT J AU Bain, RL AF Bain, Richard L. TI CINF 36-Biofuels production: Process technical and economic characterizations SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Bain, Richard L.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Biorefinery Anal Sect, Golden, CO 80401 USA. EM richard_bain@nrel.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 36-CINF PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103286 ER PT J AU Baker, JD McGrath, CA Hill, TS Couture, AJ Tovesson, F Vieira, DJ Bredeweg, TA Reifarth, R AF Baker, J. D. McGrath, C. A. Hill, T. S. Couture, A. J. Tovesson, F. Vieira, D. J. Bredeweg, T. A. Reifarth, R. TI NUCL 80-Actinide target fabrication for neutron cross section measurements SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Baker, J. D.; McGrath, C. A.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Hill, T. S.; Couture, A. J.; Tovesson, F.; Vieira, D. J.; Bredeweg, T. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Reifarth, R.] Forschungszentrum Karlsruhe, Inst Kernphys, Karlsruhe, Germany. EM john.baker@inl.gov; christopher.mcgrath@inl.gov; Tony.Hill@lanl.gov; vieira@lanl.gov RI McGrath, Christopher/E-8995-2013 NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 80-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107347 ER PT J AU Balachandran, U Lee, TH Park, CY Dorris, SE AF Balachandran, U. Lee, T. H. Park, C. Y. Dorris, S. E. TI ACSAICHE 99149-Development of dense membranes for hydrogen separation from coal gasification streams SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Balachandran, U.; Lee, T. H.; Park, C. Y.; Dorris, S. E.] Argonne Natl Lab, Div Energy Syst, Ceram Sect, Argonne, IL 60439 USA. EM balu@anl.gov; thlee@anl.gov; dorris@anl.gov NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 99149-ACSA PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775100110 ER PT J AU Bateman, A Walser, M Desyaterik, Y Laskin, J Laskin, A Nizkorodov, S AF Bateman, Adam Walser, Maggie Desyaterik, Y. Laskin, Julia Laskin, Alexander Nizkorodov, Sergey TI ANYL 156-Analysis of organic aerosol constituents using high resolution ESI-MS: Solvent-analyte reactions and selection of appropriate solvents SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Bateman, Adam; Walser, Maggie; Nizkorodov, Sergey] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. [Desyaterik, Y.; Laskin, Alexander] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. EM abateman@uci.edu; mwalser@uci.edu; Julia.Laskin@pnl.gov; Alexander.Laskin@pnl.gov; nizkorod@uci.edu RI Laskin, Julia/H-9974-2012 OI Laskin, Julia/0000-0002-4533-9644 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 156-ANYL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775100364 ER PT J AU Batista, ER Roy, LE Hay, PJ AF Batista, Enrique R. Roy, Lindsay E. Hay, P. Jeffrey TI INOR 600-Theoretical predictions of catalytic mechanisms of monometallic Fe compounds for H-2 formation SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc, Div Cellulose & Renewble Mat C1 [Batista, Enrique R.; Roy, Lindsay E.; Hay, P. Jeffrey] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM erb@lanl.gov; lroy@lanl.gov; pjhay@lanl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 600-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106112 ER PT J AU Bauer, CA Kinnibrugh, TL Timofeeva, TV Doty, FP Simmons, BA Allendorf, MD AF Bauer, Christina A. Kinnibrugh, Tiffany L. Timofeeva, Tatiana V. Doty, F. P. Simmons, Blake A. Allendorf, Mark D. TI INOR 894-Tuning linker-based luminescence in metal-organic frameworks SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Bauer, Christina A.] Georgia Inst Technol, Dept Chem, Atlanta, GA 30332 USA. [Kinnibrugh, Tiffany L.; Timofeeva, Tatiana V.] New Mexico Highlands Univ, Dept Nat Sci, Las Vegas, NM 87701 USA. [Simmons, Blake A.] Sandia Natl Labs, Dept Chem Mat, Livermore, CA 94551 USA. [Allendorf, Mark D.] Sandia Natl Labs, Microfluid Dept, Livermore, CA 94551 USA. EM FPDOTY@sandia.gov; mdallen@sandia.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 894-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106161 ER PT J AU Bauer, CA Simmons, BA AF Bauer, Christina A. Simmons, Blake A. TI INOR 340-Bioinspired fluorescent and metal nanoparticle-doped silica particles SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Bauer, Christina A.] Georgia Inst Technol, Dept Chem, Atlanta, GA 30332 USA. [Simmons, Blake A.] Sandia Natl Labs, Dept Chem Mat, Livermore, CA 94551 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 340-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106163 ER PT J AU Beary, TMJ Lee, YB Harmon, B AF Beary, Teresa M. J. Lee, Yongbin Harmon, Bruce TI CHED 963-Computational characterization of LuSb to determine k-space orientation SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Beary, Teresa M. J.] Cornell Coll, Dept Chem, Mt Vernon, IA 52314 USA. [Lee, Yongbin; Harmon, Bruce] Ames Lab, Ames, IA 50010 USA. [Lee, Yongbin; Harmon, Bruce] Iowa State Univ, Ames, IA 50010 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 963-CHED PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775102476 ER PT J AU Bera, TK Song, JH Freeman, AJ Jang, JI Ketterson, JB Kanatzidis, MG AF Bera, Tarun K. Song, Jung-Hwan Freeman, Arthur J. Jang, Joon I. Ketterson, John B. Kanatzidis, Mercouri G. TI INOR 956-LiAsS2 and NaAsS2: Direct band gap highly polar and nonpolar semiconductors SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Bera, Tarun K.; Kanatzidis, Mercouri G.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Kanatzidis, Mercouri G.] Argonne Natl Lab, Evanston, IL 60208 USA. [Song, Jung-Hwan; Freeman, Arthur J.; Jang, Joon I.; Ketterson, John B.] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA. EM t-bera@northwestern.edu; m-kanatzidis@northwestern.edu NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 956-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105448 ER PT J AU Bergman, RG AF Bergman, Robert G. TI ORGN 304-Selective transformations of organic compounds mediated by transition metal complexes SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Bergman, Robert G.] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Chem, Div Chem Sci, Berkeley, CA 94720 USA. EM rbergman@berkeley.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 304-ORGN PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107503 ER PT J AU Bergman, RG AF Bergman, Robert G. TI INOR 555-Selective organic and organometallic reactions in synthetic water-soluble supramolecular "nanozymes" SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Bergman, Robert G.] Univ Calif Berkeley, Dept Chem, Div Chem Sci, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM rbergman@berkeley.edu NR 0 TC 0 Z9 0 U1 1 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 555-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105436 ER PT J AU Berry, SD Berry, LL Campbell, NF Torok, T AF Berry, Shameka D. Berry, Lameka L. Campbell, Naomi F. Torok, Tamas TI CHED 911-Sequenced based identification of extremophilic filamentous fungi SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Berry, Shameka D.; Berry, Lameka L.; Campbell, Naomi F.] Jackson State Univ, Dept Chem, Jackson, MS 39217 USA. [Torok, Tamas] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94703 USA. EM shameka.deshun.berry@jsums.edu; lameka.lashun.berry@jsums.edu; naomi.campbell@jsums.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 911-CHED PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775102934 ER PT J AU Beste, A Buchanan, AC Harrison, RJ AF Beste, Ariana Buchanan, A. C., III Harrison, Robert J. TI COMP 215-Kinetic analysis of the pyrolysis of phenethyl phenyl ether with different substituents: Computational prediction of alpha/beta-selectivities SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Beste, Ariana] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. [Buchanan, A. C., III] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Harrison, Robert J.] U Tennessee, Knoxville, TN 37831 USA. [Harrison, Robert J.] ORNL, Knoxville, TN 37831 USA. EM bestea@ornl.gov; buchananac@ornl.gov; harrisonrj@ornl.gov NR 0 TC 0 Z9 0 U1 0 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 215-COMP PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104039 ER PT J AU Bickmore, BR MItchell, SC Rosso, KM AF Bickmore, Barry R. MItchell, Scott C. Rosso, Kevin M. TI GEOC 78-Unraveling the acid-base chemistry of gibbsite SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Bickmore, Barry R.] Brigham Young Univ, Dept Geol Sci, Provo, UT 84602 USA. [MItchell, Scott C.] Anadarko Petr Corp, Rockies Div, Denver, CO USA. [Rosso, Kevin M.] Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99352 USA. EM barry_bickmore@byu.edu; Scott.Mitchell@anadarko.com; kevin.rosso@pnl.gov NR 0 TC 0 Z9 0 U1 1 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 78-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105070 ER PT J AU Boatner, LA AF Boatner, Lynn A. TI NUCL 120-Electron paramagnetic resonance spectroscopy applied to the characterization of actinide properties SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Boatner, Lynn A.] Oak Ridge Natl Lab, Ctr Radiat Detect Mat & Syst, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM boatnerla@ornl.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 120-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107456 ER PT J AU Boger, JT AF Boger, John T. TI NUCL 78-Global Nuclear Energy Partnership: An R&D overview SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Boger, John T.] Off Nucl Energy, US Dept Energy, Germantown, MD 20874 USA. EM John.Boger@nuclear.energy.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 78-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107391 ER PT J AU Boland, KS Clark, DL Conradson, SD Espinosa-Faller, XJ Llobett, DA Schwarz, DE Wolfsberg, LE AF Boland, Kevin S. Clark, David L. Conradson, Steven D. Espinosa-Faller, Xavier J. Llobett, D. Anna Schwarz, Daniel E. Wolfsberg, Laura E. TI Comparative studies of local structure in UO2+x: A combined neutron diffraction and X-ray absorption study SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Boland, Kevin S.; Wolfsberg, Laura E.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Clark, David L.; Schwarz, Daniel E.] Los Alamos Natl Lab, Seaborg Inst, Los Alamos, NM 87545 USA. [Espinosa-Faller, Xavier J.] Univ Marista, Mexico City, DF, Mexico. EM conradson@lanl.gov; lwolf@lanl.gov NR 0 TC 0 Z9 0 U1 3 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 100-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107445 ER PT J AU Brady, JW Zhong, LH Matthews, JF Crowley, MF Cleary, JM Walker, RC Nimlos, MR Brooks, CL Himmel, ME AF Brady, John W. Zhong, Linghao Matthews, James F. Crowley, Michael F. Cleary, Joseph M. Walker, Ross C. Nimlos, Mark R. Brooks, Charles L., III Himmel, Michael E. TI CELL 158-Recent progress in MD simulations of the CBH I cellulase from T. Reesei bound to cellulose microfibrils SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Brady, John W.; Matthews, James F.] Cornell Univ, Dept Food Sci, Ithaca, NY 14853 USA. [Zhong, Linghao] Penn State Univ, Mt Alto, PA 17225 USA. [Crowley, Michael F.; Cleary, Joseph M.; Nimlos, Mark R.; Himmel, Michael E.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Walker, Ross C.] Univ Calif San Diego, San Diego Supercomput Ctr, La Jolla, CA 92093 USA. [Brooks, Charles L., III] Univ Michigan, Dept Chem, Ann Arbor, MI 48104 USA. EM jwb7@cornell.edu; luz4@psu.edu; jfm17@cornell.edu; michael_crowley@nrel.gov; mike_cleary@nrel.gov; rcw@sdsc.edu; mark_nimlos@nrel.gov; mike_himmel@nrel.gov RI crowley, michael/A-4852-2013 OI crowley, michael/0000-0001-5163-9398 NR 0 TC 0 Z9 0 U1 0 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 158-CELL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775101322 ER PT J AU Bray, TH Nelson, AGD Sykora, RE Almond, PM Haire, RG Skanthakumar, S Soderholm, L Albrecht-Schmitt, TE AF Bray, Travis Henry Nelson, Anna-Gay D. Sykora, Richard E. Almond, Philip M. Haire, Richard G. Skanthakumar, S. Soderholm, L. Albrecht-Schmitt, Thomas E. TI INOR 1087-Correlations between structure and magnetism in neptunium and plutonium selenites SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Bray, Travis Henry; Nelson, Anna-Gay D.; Albrecht-Schmitt, Thomas E.] Auburn Univ, Dept Chem & Biochem, Auburn, AL 36849 USA. [Bray, Travis Henry; Nelson, Anna-Gay D.; Albrecht-Schmitt, Thomas E.] Auburn Univ, Ctr Actinide Sci, Auburn, AL 36849 USA. [Sykora, Richard E.] Univ S Alabama, Dept Chem, Mobile, AL 36688 USA. [Almond, Philip M.] Savannah River Natl Lab, Dept Chem, Aiken, SC 29808 USA. [Haire, Richard G.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Skanthakumar, S.; Soderholm, L.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. EM braytrh@auburn.edu; nelsoa1@auburn.edu; rsykora@jaguar1.usouthal.edu; hairerg@ornl.gov; LS@ANL.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 1087-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106084 ER PT J AU Britt, PF Buchanan, AC Kidder, MK AF Britt, Phillip F. Buchanan, A. C., III Kidder, Michelle K. TI FUEL 137-Pyrolysis mechanisms of lignin model compounds SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Britt, Phillip F.; Buchanan, A. C., III; Kidder, Michelle K.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM brittpf@ornl.gov; buchananac@ornl.gov; kidderm@ornl.gov NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 137-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104781 ER PT J AU Bronikowski, MG Pierce, RA Gray, JH AF Bronikowski, M. G. Pierce, R. A. Gray, J. H. TI Industrial scale processing of Pu utilizing Gd as a neutron poison SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Bronikowski, M. G.; Pierce, R. A.; Gray, J. H.] Savannah River Natl Lab, Aiken, SC 29808 USA. EM michael.bronikowski@srnl.doe.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 91-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107449 ER PT J AU Brorsen, KR Mullin, JM Gordon, MS AF Brorsen, Kurt R. Mullin, Jonathan M. Gordon, Mark S. TI CHED 1007-Modeling acidic water clusters using EFPs SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Brorsen, Kurt R.] Univ Oklahoma, Dept Chem, Norman, OK 73069 USA. [Mullin, Jonathan M.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Gordon, Mark S.] Iowa State Univ, Ames Lab, Scalable Comp Lab, Ames, IA 50011 USA. EM kbrorsen@ou.edu; jonathan@si.fi.ameslab.gov; mark@si.fi.ameslab.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 1007-CHED PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103097 ER PT J AU Brown, GE Trainor, TP Eng, P Chaka, AM Kendelewicz, T Yamamoto, S Bluhm, H Ha, J Gelabert, A Wang, YG Nilsson, A AF Brown, Gordon E., Jr. Trainor, Thomas P. Eng, Peter Chaka, Anne M. Kendelewicz, Tom Yamamoto, Susumu Bluhm, Hendnik Ha, Juyoung Gelabert, Alexandre Wang, Yingge Nilsson, Anders TI GEOC 33-Factors controlling the reactivity of metal oxide surfaces SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Brown, Gordon E., Jr.; Kendelewicz, Tom; Ha, Juyoung; Gelabert, Alexandre; Wang, Yingge] Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA. [Trainor, Thomas P.] Univ Alaska Fairbanks, Dept Chem & Biochem, Fairbanks, AK 99775 USA. [Eng, Peter] Univ Chicago, GSECARS, Adv Photon Source, Argonne, IL 60439 USA. [Chaka, Anne M.] Natl Inst Stand & Technol, Phys & Chem Properties Div, Gaithersburg, MD 20899 USA. [Nilsson, Anders] SLAC, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. [Bluhm, Hendnik] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM gordon.brown@stanford.edu; eng@cars.uchicago.edu; HBluhm@lbl.gov; jyha@pangea.stanford.edu; gelabert@stanford.edu RI gelabert, alexandre/A-5684-2011 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 33-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105067 ER PT J AU Buchanan, AC Kidder, MK Britt, PF Beste, A AF Buchanan, A. C., III Kidder, Michelle K. Britt, Phillip F. Beste, Ariana TI ORGN 92-Pyrolysis of lignin model compounds: Oxygen substituent effects in the pyrolysis of phenethyl phenyl ether SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Buchanan, A. C., III; Kidder, Michelle K.; Britt, Phillip F.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Beste, Ariana] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. EM buchananac@ornl.gov; kidderm@ornl.gov; brittpf@ornl.gov; bestea@ornl.gov NR 0 TC 0 Z9 0 U1 0 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 92-ORGN PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107662 ER PT J AU Bwambok, DK Marwani, HM Fernand, VE Fakayode, SO Lowry, M Ei-Zahab, B Baker, GA Negulescu, II Strongin, RM Warner, IM AF Bwambok, David K. Marwani, Hadi M. Fernand, Vivian E. Fakayode, Sayo O. Lowry, Mark Ei-Zahab, Bilal Baker, Gary A. Negulescu, Ioan I. Strongin, Robert M. Warner, Isiah M. TI ANYL 7-Spectroscopic investigations of enantiomeric recognition using chiral ionic liquids derived from amino acid esters SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Bwambok, David K.; Marwani, Hadi M.; Fernand, Vivian E.; Lowry, Mark; Ei-Zahab, Bilal; Negulescu, Ioan I.; Warner, Isiah M.] Louisiana State Univ, Dept Chem, Baton Rouge, LA 70803 USA. [Fakayode, Sayo O.] Winston Salem State Univ, Winston Salem, NC 27110 USA. [Baker, Gary A.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Strongin, Robert M.] Portland State Univ, Portland, OR 97207 USA. EM dbwamb1@lsu.edu; bakerga1@ornl.gov; iwarner@lsu.edu RI Marwani, Hadi/K-8893-2012 OI Marwani, Hadi/0000-0003-0199-9488 NR 0 TC 0 Z9 0 U1 2 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 7-ANYL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775100476 ER PT J AU Calo, JM Bain, EJ Winans, RE Seifert, S Clemens, AH AF Calo, J. M. Bain, E. J. Winans, R. E. Seifert, S. Clemens, A. H. TI FUEL 171-Time-resolved pressure studies of CO2 in coal by SAXS SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Calo, J. M.; Bain, E. J.] Brown Univ, Div Engn, Providence, RI 02912 USA. [Winans, R. E.; Seifert, S.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Clemens, A. H.] CRL Energy Ltd, Wellington, New Zealand. EM JMCalo@brown.edu; Euan_Bain@brown.edu; rewinans@anl.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 171-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104782 ER PT J AU Carpenter, D Philips, S Gaston, K Deutch, S Felk, C French, R Nimlos, M AF Carpenter, Daniel Philips, Steven Gaston, Kathenine Deutch, Steve Felk, Calvin French, Richard Nimlos, Mark TI FUEL 201-Temperature and feedstock effects on tar formation during pilot-scale biomass gasification SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Carpenter, Daniel; Philips, Steven; Gaston, Kathenine; Deutch, Steve; Felk, Calvin; French, Richard; Nimlos, Mark] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. EM daniel_carpenter@nrel.gov; Calvin_Feik@nrel.gov; richard_french@nrel.gov; mark_nimlos@nrel.gov NR 0 TC 0 Z9 0 U1 1 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 201-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104785 ER PT J AU Catalano, JG Park, C Fenter, P Zhang, Z AF Catalano, Jeffrey G. Park, Changyong Fenter, Paul Zhang, Zhan TI GEOC 15-Simultaneous inner- and outer-sphere arsenate adsorption on iron and aluminum oxide surfaces SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Catalano, Jeffrey G.] Washington Univ, Dept Earth & Planetary Sci, St Louis, MO 63130 USA. [Park, Changyong; Fenter, Paul] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Zhang, Zhan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM catalano@wustl.edu; cypark@anl.gov; fenter@anl.gov RI Catalano, Jeffrey/A-8322-2013; Park, Changyong/A-8544-2008 OI Catalano, Jeffrey/0000-0001-9311-977X; Park, Changyong/0000-0002-3363-5788 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 15-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105016 ER PT J AU Cervini-Silva, J Fakra, SC Marcus, MA Cornejo-Garrido, H Hao, Z Alvarado-Ortega, J Tamura, N Espinosa-Arruberena, L AF Cervini-Silva, Javiera Fakra, Sirine C. Marcus, M. A. Cornejo-Garrido, H. Hao, Z. Alvarado-Ortega, J. Tamura, N. Espinosa-Arruberena, L. TI GEOC 146-Micron-scale chemical speciation toward understanding the unusual fossil preservation and biomineralization pathways in Tlayua, Mexico SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Cervini-Silva, Javiera] Univ Nacl Autonoma Mexico, Inst Geog, Mexico City 04510, DF, Mexico. [Fakra, Sirine C.; Marcus, M. A.; Hao, Z.; Tamura, N.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA USA. [Alvarado-Ortega, J.; Espinosa-Arruberena, L.] Univ Nacl Autonoma Mexico, Inst Geol, Coyoacan, Mexico. [Cornejo-Garrido, H.] Univ Nacl Autonoma Mexico, Inst Geog, Coyoacan, Mexico. EM jcervini@igg.unam.mx RI Hao, Zhao/G-2391-2015 OI Hao, Zhao/0000-0003-0677-8529 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 146-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105220 ER PT J AU Cervini-Silva, J Marcus, MA Fakra, S Alvarado-Ortega, J Espinosa-Arruberena, L AF Cervini-Silva, Javiera Marcus, M. A. Fakra, S. Alvarado-Ortega, J. Espinosa-Arruberena, L. TI GEOC 147-Submicron-chemical speciation of late albian, well-preserved bone fossil samples from Tlayua, the Mexican Solenhofen SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Cervini-Silva, Javiera] Univ Nacl Autonoma Mexico, Inst Geog, Mexico City 04510, DF, Mexico. [Marcus, M. A.; Fakra, S.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA USA. [Alvarado-Ortega, J.; Espinosa-Arruberena, L.] Univ Nacl Autonoma Mexico, Inst Geol, Coyoacan, Mexico. EM jcervini@igg.unam.mx NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 147-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105221 ER PT J AU Chapman, KW Halder, GJ Chupas, PJ AF Chapman, Karena W. Halder, Gregory J. Chupas, Peter J. TI INOR 1044-Functional framework material and the importance of pressure SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Chapman, Karena W.; Chupas, Peter J.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Halder, Gregory J.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. EM chapmank@aps.anl.gov; halder@anl.gov; chupas@anl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 1044-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106375 ER PT J AU Chen, BL Zhao, XB Putkham, A Fletcher, AJ Hurtado, E Hong, K Thomas, KM AF Chen, Banglin Zhao, Xuebo Putkham, Apipong Fletcher, Ashleigh J. Hurtado, Eric Hong, Kunlun Thomas, K. Mark TI INOR 819-Kinetic molecular sieving of oxygen, nitrogen and argon on a metal-organic framework material SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Chen, Banglin] Univ Texas Pan Amer, Dept Chem, Edinburg, TX 78541 USA. [Zhao, Xuebo; Putkham, Apipong] Newcastle Univ, Sch Nat Sci, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England. [Fletcher, Ashleigh J.; Thomas, K. Mark] Newcastle Univ, Sir Joseph Swan Inst, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England. [Hurtado, Eric] Univ Texas Pan Amer, Dept Chem, Edinburg, TX 78541 USA. [Hong, Kunlun] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Hong, Kunlun] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM banglin@utpa.edu; xuebo.zhao@ncl.ac.uk; apipong.putkham@ncl.ac.uk; a.j.fletcher@ncl.ac.uk; ejhurtado@broncs.utpa.edu; hongkq@ornl.gov; mark.thomas@ncl.ac.uk NR 0 TC 0 Z9 0 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 819-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106207 ER PT J AU Chen, BL Zhao, XB Putkham, A Hong, KL Lobkovsky, EB Hurtado, E Fletcher, AJ Thomas, KM AF Chen, Banglin Zhao, Xuebo Putkham, Apipong Hong, Kunlun Lobkovsky, Emil B. Hurtado, Eric Fletcher, Ashleigh J. Thomas, K. Mark TI INOR 965-Kinetic quantum isotope sieving of hydrogen and deuterium confined in metal-organic framework pores SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Chen, Banglin; Hurtado, Eric] Univ Texas Pan Amer, Dept Chem, Edinburg, TX 78541 USA. [Zhao, Xuebo; Putkham, Apipong] Newcastle Univ, Sch Nat Sci, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England. [Hong, Kunlun] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Hong, Kunlun] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Lobkovsky, Emil B.] Cornell Univ, Baker Lab, Dept Chem & Biol Chem, Ithaca, NY 14853 USA. [Fletcher, Ashleigh J.; Thomas, K. Mark] Newcastle Univ, Sir Joseph Swan Inst, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England. EM banglin@utpa.edu; xuebo.zhao@ncl.ac.uk; apipong.putkham@ncl.ac.uk; hongkq@ornl.gov; ebl1@cornell.edu; ejhurtado@broncs.utpa.edu; a.j.fletcher@ncl.ac.uk; mark.thomas@ncl.ac.uk RI Fletcher, Ashleigh/B-8636-2009 OI Fletcher, Ashleigh/0000-0003-3915-8887 NR 0 TC 0 Z9 0 U1 0 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 965-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106183 ER PT J AU Chen, LX Zhang, XY Wasinger, EC Liu, DJ Attenkofer, K Jennings, G AF Chen, Lin X. Zhang, Xiaoyi Wasinger, Erik C. Liu, Di-Jia Attenkofer, Klaus Jennings, Guy TI PHYS 161-Molecular structural dynamics studied by ultrafast optical and X-ray transient absorption spectroscopy SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Chen, Lin X.] Northwestern Univ, Argonne Natl Lab, Argonne, IL 60439 USA. [Wasinger, Erik C.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. [Liu, Di-Jia] Argonne Natl Lab, Div Chem Engn, Argonne, IL 60439 USA. [Attenkofer, Klaus; Jennings, Guy] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. EM lchen@anl.gov; wasinger@anl.gov; liud@cmt.anl.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 161-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108614 ER PT J AU Chen, LX Zhang, XY Wasinger, EC Shaw, GB Attenkofer, K Jennings, G AF Chen, Lin X. Zhang, Xiaoyi Wasinger, Erik C. Shaw, George B. Attenkofer, Klaus Jennings, Guy TI INOR 932-Structural dynamics of photoactive metal complexes in solar energy conversion SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Chen, Lin X.; Wasinger, Erik C.; Shaw, George B.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. [Chen, Lin X.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Attenkofer, Klaus; Jennings, Guy] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. EM lchen@anl.gov; wasinger@anl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 932-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105542 ER PT J AU Chen, S Ferreira, PJ Allard, L Sheng, WC Yabuuchi, N Shao-Horn, Y AF Chen, S. Ferreira, P. J. Allard, L. Sheng, W. C. Yabuuchi, N. Shao-Horn, Y. TI COLL 201-Oxygen reduction activity of Pt3Co nanoparticles: Surface atomic structure and electronic structures SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Chen, S.; Sheng, W. C.; Yabuuchi, N.; Shao-Horn, Y.] MIT, Cambridge, MA 02139 USA. [Ferreira, P. J.] Univ Texas Austin, Austin, TX 78712 USA. [Allard, L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM chens@mit.edu; ferreira@mail.utexas.edu; allardlfjr@ornl.gov; wsheng@mit.edu; yabuuchi@MIT.EDU; shaohorn@mit.edu RI Sheng, Wenchao/E-6196-2012 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 201-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103749 ER PT J AU Chernyak, VY Wu, C Malinin, SV Tretiak, S AF Chernyak, Vladimir Y. Wu, Chao Malinin, Sergey V. Tretiak, Sergei TI PHYS 280-Electronic excitations in branched conjugated molecules, exciton scattering approach SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Chernyak, Vladimir Y.; Wu, Chao; Malinin, Sergey V.] Wayne State Univ, Dept Chem, Detroit, MI 48202 USA. [Tretiak, Sergei] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM chernyak@chem.wayne.edu; chaowu@chem.wayne.edu; malinin@chem.wayne.edu; serg@lanl.gov RI Chernyak, Vladimir/F-5842-2016 OI Chernyak, Vladimir/0000-0003-4389-4238 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 280-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109515 ER PT J AU Chipera, SJ Bish, DL Kieschnick, JA Alcantar-Lopez, L Carey, JW AF Chipera, Steve J. Bish, David L. Kieschnick, John A. Alcantar-Lopez, Leo Carey, J. William TI GEOC 117-Water behavior in K-exchanged smectite and comparison to R3-ordered illite/smectite SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Chipera, Steve J.; Kieschnick, John A.; Alcantar-Lopez, Leo] Chesapeake Energy Corp, Reservoir Technol Ctr, Oklahoma City, OK 73118 USA. [Bish, David L.] Indiana Univ, Dept Geol Sci, Bloomington, IN 47405 USA. [Carey, J. William] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM schipera@chkenergy.com; bish@indiana.edu; bcarey@lanl.gov RI Carey, James/B-4421-2011 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 117-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105177 ER PT J AU Chou, J Dantin, A Green, L Duan, YX AF Chou, Ju Dantin, Adriana Green, Lutasshi Duan, Yixiang TI CHED 1092-Field monitoring of environmental contaminant lead around New Orleans by a portable instrument SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Chou, Ju; Green, Lutasshi] SE Louisiana Univ, Dept Chem & Phys, Hammond, LA 70402 USA. [Duan, Yixiang] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM Ju.Chou@selu.edu; adriana.dantin@selu.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 1092-CHED PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775102820 ER PT J AU Christen, HM Kim, DH Lee, HN Biegalski, MD Rouleau, CM AF Christen, Hans M. Kim, Dae Ho Lee, Ho Nyung Biegalski, Michael D. Rouleau, Christopher M. TI INOR 418-Modifying the properties of perovskites via strain and interfacial effects in epitaxial heterostructures SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Christen, Hans M.; Kim, Dae Ho; Lee, Ho Nyung; Rouleau, Christopher M.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Biegalski, Michael D.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM christenhm@ornl.gov RI Kim, Dae Ho/B-4670-2012; Christen, Hans/H-6551-2013; Lee, Ho Nyung/K-2820-2012; Rouleau, Christopher/Q-2737-2015 OI Christen, Hans/0000-0001-8187-7469; Lee, Ho Nyung/0000-0002-2180-3975; Rouleau, Christopher/0000-0002-5488-3537 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 418-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106295 ER PT J AU Chupas, PJ Chapman, KW Jennings, G Lee, PL Grey, CP AF Chupas, Peter J. Chapman, Karena W. Jennings, Guy Lee, Peter L. Grey, Clare P. TI INOR 144-Watching nanoparticles grow: The mechanism and kinetics for the formation of TiO2-supported platinum nanoparticles SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc, Div Cellulose & Renewble Mat C1 [Chupas, Peter J.; Chapman, Karena W.; Jennings, Guy] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Lee, Peter L.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Grey, Clare P.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM chupas@anl.gov; chapmank@aps.anl.gov; cgrey@notes.cc.sunysb.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 144-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106519 ER PT J AU Chupas, PJ Chapman, KW AF Chupas, Peter J. Chapman, Karena W. TI FUEL 168-Bridging the pressure gap: Probing surface structure with the differential Pair-Distribution-Function approach SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Chupas, Peter J.; Chapman, Karena W.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. EM chupas@anl.gov; chapmank@aps.anl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 168-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104802 ER PT J AU Cicero, D AF Cicero, Daniel TI PETR 79-The US DOE's hydrogen-from-coal program SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Cicero, Daniel] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. EM daniel.cicero@netl.doe.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 79-PETR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108540 ER PT J AU Cink, RB Miller, GJ AF Cink, Ruth B. Miller, Gordon J. TI CHED 954-"Coloring problem" for gamma-brasses: Cu9-xAl4+x SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc, Div Cellulose & Renewble Mat C1 [Cink, Ruth B.] Northwestern Coll, Dept Chem, Orange City, IA 51041 USA. [Miller, Gordon J.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Miller, Gordon J.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM rcink@nwciowa.edu; gmiller@iastate.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 954-CHED PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775101619 ER PT J AU Clark, DL Neu, MP Palmer, PD Stout, BM Sullivan, JC AF Clark, David L. Neu, Mary P. Palmer, Phillip D. Stout, Barbara M. Sullivan, James C. TI NUCL 123-Comparative ligand exchange dynamics in light actinide ions (U, Np, Pu, Am) probed by NMR spectroscopy SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Clark, David L.; Neu, Mary P.; Palmer, Phillip D.; Stout, Barbara M.; Sullivan, James C.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. EM dlclark@lanl.gov NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 123-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107459 ER PT J AU Clark, DL Batista, ER Boland, KS Bums, CJ Conradson, SD Kozimor, SA Hay, PJ Martin, RL Schwarz, DE Wilkerson, MP Wolfsberg, LE Yang, P AF Clark, David L. Batista, Ennique R. Boland, Kevin S. Bums, Carol J. Conradson, Steven D. Kozimor, Stosh A. Hay, P. Jeffrey Martin, Richard L. Schwarz, Daniel E. Wilkerson, Maniane P. Wolfsberg, Laura E. Yang, Ping TI Applications of X-ray absorption spectroscopy to the electronic structure of actinide ions SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Clark, David L.; Kozimor, Stosh A.; Schwarz, Daniel E.] Los Alamos Natl Lab, ADSMS, Seaborg Inst, Los Alamos, NM 87545 USA. [Batista, Ennique R.; Hay, P. Jeffrey; Martin, Richard L.; Yang, Ping] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Boland, Kevin S.; Wilkerson, Maniane P.; Wolfsberg, Laura E.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. EM erb@lanl.gov; cjb@lanl.gov; conradson@lanl.gov; stosh@lanl.gov; pjhay@lanl.gov; rlmartin@lanl.gov; mpw@lanl.gov; lwolf@lanl.gov; pyang@lanl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 48-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107403 ER PT J AU Clark, DL Batista, ER Boland, KS Burns, CJ Conradson, SD Kozimor, SA Martin, RL Schwarz, DE Wilkerson, MP Wolfsberg, LE Yang, P AF Clark, David L. Batista, Enrique R. Boland, Kevin S. Burns, Carol J. Conradson, Steven D. Kozimor, Stosh A. Martin, Richard L. Schwarz, Daniel E. Wilkerson, Mariane P. Wolfsberg, Laura E. Yang, Ping TI INOR 899-On the relative roles of 5f and 6d orbitals in uranium metal-ligand bonds SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Clark, David L.; Kozimor, Stosh A.; Schwarz, Daniel E.] Los Alamos Natl Lab, Seaborg Inst, ADSMS, Los Alamos, NM 87545 USA. [Batista, Enrique R.; Martin, Richard L.; Yang, Ping] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Boland, Kevin S.; Wilkerson, Mariane P.; Wolfsberg, Laura E.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. EM erb@lanl.gov; cjb@lanl.gov; conradson@lanl.gov; stosh@lanl.gov; rlmartin@lanl.gov; mpw@lanl.gov; lwolf@lanl.gov; pyang@lanl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 899-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106171 ER PT J AU Clark, SB Friese, JI Zhang, ZC Rao, LF AF Clark, Sue B. Friese, Judah I. Zhang, Zhicheng Rao, Linfeng TI Kinetics of persulfate oxidation of Cr(III) to chromate under alkaline conditions SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Clark, Sue B.; Zhang, Zhicheng] Washington State Univ, Dept Chem, Pullman, WA 99164 USA. [Friese, Judah I.] Pacific NW Natl Lab, Natl Secur Div, Richland, WA 99352 USA. [Rao, Linfeng] Univ Calif Berkeley, Lawrence Berkeley Lab, Actinide Chem Grp, Div Chem Sci,Glenn T Seaborg Ctr, Berkeley, CA 94720 USA. EM s_clark@wsu.edu; judah.friese@pnl.gov; lxzhang@wsu.edu; LRao@lbl.gov NR 0 TC 0 Z9 0 U1 1 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 70-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107411 ER PT J AU Conradson, SD Andersson, A Boland, K Clark, DL Kozimor, S Espinosa-Faller, XJ AF Conradson, Steven D. Andersson, Anders Boland, Kevin Clark, David L. Kozimor, Stosh Espinosa-Faller, Xavier J. TI NUCL 101-Addressing the structural chemistry of UO2+x and PuO2+x with laboratory and computer experiments SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Conradson, Steven D.; Andersson, Anders; Boland, Kevin; Clark, David L.; Kozimor, Stosh] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Espinosa-Faller, Xavier J.] Univ Marista, Mexico City, DF, Mexico. EM conradson@lanl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 101-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107472 ER PT J AU Cooper, WJ Mezyk, SP Cole, SK Mincher, BJ Gardinali, PR AF Cooper, William J. Mezyk, Stephen P. Cole, S. Kirkham Mincher, Bruce J. Gardinali, Piero R. TI ENVR 162-Free radical chemistry of the mono- and dihalonitromethanes SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Cooper, William J.] Univ Calif Irvine, Dept Civil & Environm Engn, Irvine, CA 92697 USA. Calif State Univ Long Beach, Dept Chem & Biochem, Long Beach, CA 90840 USA. [Cole, S. Kirkham] McKim & Creed, Virginia Beach, VA 23452 USA. [Mincher, Bruce J.] Idaho Natl Lab, Aqueous Separat & Radiochem Dept, Idaho Falls, ID 83415 USA. [Gardinali, Piero R.] Florida Int Univ, Miami, FL 33199 USA. EM wcooper@uci.edu; smezyk@csulb.edu; bruce.mincher@inl.gov; gardinal@fiu.edu RI Cooper, William/D-4502-2011; Mincher, Bruce/C-7758-2017 NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 162-ENVR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104527 ER PT J AU Cornejo-Garrido, H Cervini-Silva, J Gilbert, B Fernandez-Lomelin, P Guzman, J Trejo, M Hao, Z AF Cornejo-Garrido, Hilda Cervini-Silva, Javiera Gilbert, Benjamin Fernandez-Lomelin, Pilar Guzman, Jose Trejo, Martin Hao, Zhao TI GEOC 149-Siderophores catalyze the oxidation of commercial Pb to nanosized lead (hydr)oxides stable in water SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Cornejo-Garrido, Hilda; Trejo, Martin] Univ Nacl Autonoma Mexico, Fac Quim, Mexico City 04330, DF, Mexico. [Cervini-Silva, Javiera] Univ Nacl Autonoma Mexico, Inst Geog, Mexico City 04510, DF, Mexico. [Gilbert, Benjamin] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Fernandez-Lomelin, Pilar] UNAM, Inst Geog, LAFQA, Cu Mexico 04510, Mexico. [Guzman, Jose] Univ Nacl Autonoma Mexico, Inst Invest Mat, Mexico City 04510, DF, Mexico. [Hao, Zhao] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. EM jcervini@igg.unam.mx; jcervini@igg.unam.mx; BGilbert@lbl.gov; pilarf@igg.unam.mx RI Hao, Zhao/G-2391-2015; Gilbert, Benjamin/E-3182-2010 OI Hao, Zhao/0000-0003-0677-8529; NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 149-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105196 ER PT J AU Criscenti, LJ Larentzos, JP AF Criscenti, Louise J. Larentzos, James P. TI GEOC 57-Ion-pairing of alkaline earth metals with chloride and nitrate in aqueous solution and at the gibbsite surface: A molecular dynamics investigation SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Criscenti, Louise J.; Larentzos, James P.] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. EM ljcrisc@sandia.gov; jplaren@sandia.gov NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 57-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105205 ER PT J AU Crowley, MF AF Crowley, Michael F. TI CELL 235-Mechanism and energetics of processive action of catalytic domain of the cellobiohydrolase, Cel7a, from Trichoderma reesei SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Crowley, Michael F.] Natl Renewable Energy Lab, Golden, CO 80401 USA. EM michael_crowley@nrel.gov RI crowley, michael/A-4852-2013 OI crowley, michael/0000-0001-5163-9398 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 235-CELL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775101401 ER PT J AU Cugini, AV Morreale, BD Noceti, RP AF Cugini, Anthony V. Morreale, Bryan D. Noceti, Richard. P. TI FUEL 18-Secure, environmentally acceptable fuels from coal SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Cugini, Anthony V.; Morreale, Bryan D.] US DOE, Off Res & Dev, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Noceti, Richard. P.] LTI Inc, US DOE NETL Site Support Contractor, Pittsburgh, PA 15236 USA. EM Anthony.Cugini@netl.doe.gov; bryan.morreale@netl.doe.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 18-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104805 ER PT J AU Culp, JT Smith, MR Bittner, EW Bockrath, BC AF Culp, Jeffrey T. Smith, Milton R. Bittner, Edward W. Bockrath, Bradley C. TI INOR 315-Carbon dioxide adsorption in flexible coordination polymers SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Culp, Jeffrey T.] Parsons, South Pk, PA 15129 USA. [Smith, Milton R.; Bittner, Edward W.; Bockrath, Bradley C.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM Jeffrey.Culp@PP.NETL.DOE.GOV; Milton.Smith@NETL.DOE.GOV; Bradley.Bockrath@NETL.DOE.GOV NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 315-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105823 ER PT J AU Curro, N AF Curro, Nicholas TI NUCL 124-Nuclear magnetic resonance studies of broken symmetries in actinide compounds SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Curro, Nicholas] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM curro@physics.ucdavis.edu RI Curro, Nicholas/D-3413-2009 OI Curro, Nicholas/0000-0001-7829-0237 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 124-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107468 ER PT J AU Custelcean, R Remy, P Sellin, V Jiang, DE Moyer, BA AF Custelcean, Radu Remy, Priscilla Sellin, Vincent Jiang, De-en Moyer, Bruce A. TI INOR 826-Metal-organic frameworks functionalized with urea hydrogen-bonding groups for selective anion separation SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Custelcean, Radu; Remy, Priscilla; Sellin, Vincent; Jiang, De-en; Moyer, Bruce A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM custelceanr@ornl.gov RI Moyer, Bruce/L-2744-2016 OI Moyer, Bruce/0000-0001-7484-6277 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 826-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105545 ER PT J AU Cygan, RT AF Cygan, Randall T. TI GEOC 199-Molecular simulations of reactions on clay surfaces SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Cygan, Randall T.] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. EM rtcygan@sandia.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 199-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105021 ER PT J AU D'Aleo, A Moore, EG Xu, JD Raymond, KN AF D'Aleo, Anthony Moore, Evan G. Xu, Jide Raymond, Kenneth N. TI INOR 242-Optimization of 1,2-HOPO sensitized Europium luminescence SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [D'Aleo, Anthony; Moore, Evan G.; Xu, Jide; Raymond, Kenneth N.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [D'Aleo, Anthony] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM ADAleo@lbl.gov; egmoore@berkeley.edu; jide@berkeley.edu; raymond@socrates.berkeley.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 242-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106274 ER PT J AU Dadmun, MD Kamath, SY Swader, O Ankner, J AF Dadmun, Mark D. Kamath, Sudesh Y. Swader, Onome Ankner, John TI POLY 317-Surface segregation of branched copolymers from a homopolymer matrix SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA C1 [Dadmun, Mark D.; Kamath, Sudesh Y.; Swader, Onome] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Ankner, John] Oak Ridge Natl Lab, SNS, Oak Ridge, TN 37830 USA. EM dad@utk.edu; skamath@novell.chem.utk.edu; swader@ion.chem.utk.edu; anknerjf@ornl.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 317-POLY PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519XJ UT WOS:000271802800208 ER PT J AU Dai, S AF Dai, Sheng TI FUEL 55-Advanced liquid membranes based on novel ionic liquids for energy-related applications SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM dais@ornl.gov RI Dai, Sheng/K-8411-2015 OI Dai, Sheng/0000-0002-8046-3931 NR 2 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 55-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104583 ER PT J AU Davis, BL Matus, MH Stephens, FH Dixon, DA Gordon, JC AF Davis, Benjamin L. Matus, Myrna H. Stephens, Frances H. Dixon, David A. Gordon, John C. TI INOR 79-Regeneration of spent ammonia borane fuels SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Gordon, John C.] Los Alamos Natl Lab, Div Chem, Inorgan Isotope & Actinide Chem Grp, Los Alamos, NM 87545 USA. [Matus, Myrna H.; Dixon, David A.] Univ Alabama, Dept Chem, Tuscaloosa, AL 35487 USA. EM bldavis@lanl.gov; mhernandezmatus@bama.ua.edu; fhs@lanl.gov; dadixon@bama.ua.edu; jgordon@lanl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 79-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105459 ER PT J AU Davis, RW Meyer, LA Van Benthem, M Jones, HDT Brozik, SM Haaland, DM Sinclair, MB AF Davis, Ryan W. Meyer, Lauren A. Van Benthem, Mark Jones, Howland D. T. Brozik, Susan M. Haaland, David M. Sinclair, Michael B. TI BIOL 39-Antimicrobial peptide interactions with supported biomimetic membranes on mesoporous silica SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Davis, Ryan W.; Meyer, Lauren A.; Van Benthem, Mark; Jones, Howland D. T.; Brozik, Susan M.; Haaland, David M.; Sinclair, Michael B.] Sandia Natl Labs, Albuquerque, NM 87185 USA. EM rwdavis@sandia.gov; dmhaala@sandia.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 39-BIOL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775100551 ER PT J AU Deutsch, TG Turner, JA Pusede, SE AF Deutsch, Todd G. Turner, John A. Pusede, Sally E. TI PETR 48-InGaN semiconductors for photoelectrolysis SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Deutsch, Todd G.; Turner, John A.; Pusede, Sally E.] Natl Renewable Energy Lab, Hydrogen Technol & Syst Ctr, Golden, CO 80401 USA. EM Todd_Deutsch@nrel.gov; John_Turner@nrel.gov; Sally_Pusede@nrel.gov NR 0 TC 0 Z9 0 U1 1 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 48-PETR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108523 ER PT J AU Dinescu, A Benson, MT AF Dinescu, Adriana Benson, Michael T. TI INOR 1085-Deprotonation of dithiophosphinic acids: A theoretical study on activation barriers and solvent effects SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Dinescu, Adriana; Benson, Michael T.] Idaho Natl Lab, Interfacial Chem Dept, Idaho Falls, ID 83415 USA. EM adriana.dinescu@inl.gov; michael.benson@inl.gov RI Benson, Michael/B-8855-2017 OI Benson, Michael/0000-0003-4927-614X NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 1085-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105529 ER PT J AU Ding, M Kelkar, S Fabryka-Martin, JT Caporuscio, FA Meijer, A AF Ding, Mei Kelkar, Sharad Fabryka-Martin, June T. Caporuscio, Florie A. Meijer, Arend TI GEOC 113-Surface complexation modeling of radionuclide sorption in the saturated zone of Yucca Mountain rocks SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Ding, Mei; Kelkar, Sharad; Fabryka-Martin, June T.; Caporuscio, Florie A.] Los Alamos Natl Lab, Hydrogeol Geochem & Geol Grp EES 6, Los Alamos, NM 87545 USA. [Meijer, Arend] GCX Inc, Tucson, AZ 85737 USA. EM mding@lanl.gov; kelkar@lanl.gov; fabryka@lanl.gov; floriec@lanl.gov NR 0 TC 0 Z9 0 U1 1 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 113-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105062 ER PT J AU Ding, SY AF Ding, Shi-You TI CARB 16-Nanoscale characterization of plant cell-wall microfibril structure SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Ding, Shi-You] Natl Bioenergy Ctr, Natl Renewable Energy Lab, Golden, CO 80401 USA. EM shi_you_ding@nrel.gov RI Ding, Shi-You/O-1209-2013 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 16-CARB PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775101097 ER PT J AU Dragojevic, I Jeppesen, HB Clark, RM Gregorich, KE Ali, MN Allmond, JM Beausang, CW Bleuel, DL Ellison, PA Fallon, P Garcia, MA Gates, JM Greene, JP Gros, S Lee, Y Macchiavelli, AO Nelson, SL Nitsche, H Stavsetra, L Wiedeking, M AF Dragojevic, Irena Jeppesen, H. B. Clark, R. M. Gregorich, K. E. Ali, M. N. Allmond, J. M. Beausang, C. W. Bleuel, D. L. Ellison, P. A. Fallon, P. Garcia, M. A. Gates, J. M. Greene, J. P. Gros, S. Lee, Y. Macchiavelli, A. O. Nelson, S. L. Nitsche, H. Stavsetra, L. Wiedeking, M. TI NUCL 12-Production and investigation of K isomers in (256)Rf SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc, Div Cellulose & Renewble Mat C1 [Dragojevic, Irena; Jeppesen, H. B.; Clark, R. M.; Gregorich, K. E.; Ali, M. N.; Ellison, P. A.; Fallon, P.; Garcia, M. A.; Gates, J. M.; Gros, S.; Lee, Y.; Macchiavelli, A. O.; Nelson, S. L.; Nitsche, H.; Stavsetra, L.; Wiedeking, M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Dragojevic, Irena; Ali, M. N.; Ellison, P. A.; Garcia, M. A.; Gates, J. M.; Nelson, S. L.; Nitsche, H.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Allmond, J. M.; Beausang, C. W.] Univ Richmond, Dept Phys, Gottwald Sci Ctr, Richmond, VA 23173 USA. [Bleuel, D. L.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Greene, J. P.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM rmclark@lbl.gov; kegregorich@lbl.gov; cbeausan@richmond.edu; bleuel1@llnl.gov RI Garcia, Mitch/G-2413-2010; Ali, Mazhar/C-6473-2013 OI Ali, Mazhar/0000-0002-1129-6105 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 12-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107369 ER PT J AU Drese, JH Hicks, JC Fauth, DJ Gray, ML Jones, CW AF Drese, Jeffrey H. Hicks, Jason C. Fauth, Daniel J. Gray, McMahan L. Jones, Christopher W. TI I&EC 89-Designing amine-based solid sorbents for carbon dioxide capture in simulated flue gas conditions SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Drese, Jeffrey H.; Hicks, Jason C.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. [Gray, McMahan L.] US DOE, NETL, Separat & Fuels Proc Div, Pittsburgh, PA 15236 USA. [Jones, Christopher W.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. EM jeffrey.drese@chbe.gatech.edu; jason.hicks@chbe.gatech.edu; fauth@netl.doe.gov; gray@netl.doe.gov; christopher.jones@chbe.gatech.edu NR 0 TC 0 Z9 0 U1 0 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 89-IEC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105303 ER PT J AU Drisdell, W Smith, JD Cappa, CD Cohen, RC Saykally, RJ AF Drisdell, Walter Smith, Jared D. Cappa, Christopher D. Cohen, Ronald C. Saykally, Richard J. TI PHYS 245-Effect of water evaporation on cloud and aerosol growth rates: Some new measurements on liquid microjet systems SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Drisdell, Walter; Cohen, Ronald C.; Saykally, Richard J.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Drisdell, Walter; Smith, Jared D.; Saykally, Richard J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Cappa, Christopher D.] Univ Calif Davis, Davis, CA 95616 USA. [Cohen, Ronald C.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. EM drisdell@berkeley.edu; cdcappa@ucdavis.edu; rccohen@berkeley.edu; saykally@berkeley.edu NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 245-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109327 ER PT J AU DuBois, DL Appel, AM AF DuBois, Daniel L. Appel, Aaron M. TI FUEL 151-Roles of the first and second coordination spheres in carbon dioxide reduction catalysts SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [DuBois, Daniel L.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Appel, Aaron M.] Pacific NW Natl Lab, Fundamental Sci Div, Richland, WA 99352 USA. EM daniel.dubois@pnl.gov; aaron.appel@pnl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 151-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104601 ER PT J AU Durbin, PW AF Durbin, Patricia W. TI INOR 119-Rational design of therapeutic actinide chelators: The Raymond Group SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Durbin, Patricia W.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 119-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105550 ER PT J AU Dvorak, J Bruchle, W Chelnokov, M Duellmann, CE Dvorakova, Z Eberhardt, K Jager, E Krucken, R Kuznetsov, A Nagame, Y Nishio, K Qin, Z Schadel, M Schausten, B Schimpf, E Schuber, R Semchenkov, A Thorle, P Turler, A Wegrzecki, M Wierczinski, B Yakushev, A Yeremin, A AF Dvorak, J. Bruechle, W. Chelnokov, M. Duellmann, Christoph E. Dvorakova, Z. Eberhardt, K. Jaeger, Egon Kruecken, R. Kuznetsov, A. Nagame, Y. Nishio, K. Qin, Z. Schaedel, Matthias Schausten, B. Schimpf, E. Schuber, R. Semchenkov, A. Thoerle, P. Tuerler, A. Wegrzecki, M. Wierczinski, B. Yakushev, A. Yeremin, A. TI Doubly magic nucleus 270Hs SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Dvorak, J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Duellmann, Christoph E.] Gesell Schwerionenforsch mbH, Kernphys 2, D-64291 Darmstadt, Germany. [Chelnokov, M.; Kuznetsov, A.; Yeremin, A.] Joint Inst Nucl Res, Dubna 141980, Russia. [Eberhardt, K.; Thoerle, P.] Johannes Gutenberg Univ Mainz, Inst Kernchem, D-55128 Mainz, Germany. [Schuber, R.; Semchenkov, A.; Tuerler, A.; Wierczinski, B.; Yakushev, A.] Tech Univ Munich, Inst Radiochem, D-85748 Garching, Germany. [Nagame, Y.; Nishio, K.] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan. [Schaedel, Matthias] Gesell Schwenionenforsch GSI, Nucl Chem, D-64291 Darmstadt, Germany. [Wegrzecki, M.] Inst Electr Mat Technol, PL-02668 Warsaw, Poland. [Jaeger, Egon; Qin, Z.; Schausten, B.] Gesell Schwerionenforsch mbH, D-64291 Darmstadt, Germany. [Schimpf, E.] GSI Darmstadt, D-64291 Darmstadt, Germany. EM klaus.eberhardt@uni-mainz.de; nagame.yuichiro@jaea.go.jp; m.schaedel@gsi.de RI Kruecken, Reiner/A-1640-2013 OI Kruecken, Reiner/0000-0002-2755-8042 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 20-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107432 ER PT J AU Eastland, A Sutton, H Mardis, KL Tiede, DM AF Eastland, Adrienne Sutton, Heather Mardis, Kristy L. Tiede, David M. TI CHED 1051-Using wide-angle X-ray scattering profiles to evaluate the CHARMM forcefield ensembles of common solvents SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Eastland, Adrienne; Sutton, Heather; Mardis, Kristy L.] Chicago State Univ, Dept Chem & Phys, Chicago, IL 60628 USA. [Tiede, David M.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. EM aeastlan@csu.edu; kmardis@csu.edu; tiede@anl.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 1051-CHED PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775101712 ER PT J AU Edwards, JV Howley, PS Condon, B Prevost, NT Goheen, S Arnold, J Diegelmann, RF AF Edwards, J. Vincent Howley, Phyllis S. Condon, Brian Prevost, Nicolette T. Goheen, Steven Arnold, Judy Diegelmann, Robert F. TI CELL 163-Modifications to cellulose as cotton-cased crotease-lowering and hemostatic wound agents SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Edwards, J. Vincent; Howley, Phyllis S.; Condon, Brian; Prevost, Nicolette T.] USDA ARS, So Reg Res Ctr, New Orleans, LA 70124 USA. [Goheen, Steven] Pacific NW Natl Lab, Richland, WA 99352 USA. [Arnold, Judy] USDA ARS RRC, Athens, GA 30605 USA. [Diegelmann, Robert F.] Wound Healing Inst, MCV VCU, Richmond, VA USA. EM vedwards@srrc.ars.usda.gov; phowley@srrc.ars.usda.gov; bcondon@srrc.ars.usda.gov; nprevost@srrc.ars.usda.gov; judy.arnold@ars.usda.gov NR 0 TC 0 Z9 0 U1 1 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 163-CELL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775101398 ER PT J AU Elliott, DC AF Elliott, Douglas C. TI PETR 70-Catalytic hydrothermal gasification of biomass for the production of hydrogen-containing feedstock (methane) SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Elliott, Douglas C.] Pacific NW Natl Lab, Richland, WA 99352 USA. EM dougc.elliott@pnl.gov NR 0 TC 0 Z9 0 U1 1 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 70-PETR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108473 ER PT J AU Ellliott, WC Tajiri, M Wampler, JM Rosson, RL Kahn, B Serkiz, SM AF Ellliott, W. Crawford Tajiri, Momoko Wampler, J. M. Rosson, Robert L. Kahn, Bernd Serkiz, Steven M. TI GEOC 179-Mineralogic control of cesium uptake in soils at the Savannah River site SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Ellliott, W. Crawford] Georgia State Univ, Dept Geosci, Atlanta, GA 30302 USA. [Tajiri, Momoko] Penn State Univ, Huck Inst Life Sci, University Pk, PA 16802 USA. [Wampler, J. M.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. [Rosson, Robert L.; Kahn, Bernd] Georgia Inst Technol, Environm Resources Ctr, Atlanta, GA 30332 USA. [Serkiz, Steven M.] Savannah River Natl Lab, Aiken, SC 29808 USA. EM wcelliott@gsu.edu; mut133@psu.edu; wamplerjm@earthlink.net; rr2@prism.gatech.edu; Bernd.kahn@me.gatech.edu; steven.serkiz@srnl.doe.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 179-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105161 ER PT J AU Erickson, KL Oelfke, J AF Erickson, Kenneth L. Oelfke, John TI PMSE 399-Effect of ambient oxygen concentration on thermal decomposition of organic polymers SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Erickson, Kenneth L.] Sandia Natl Labs, Thermal Fluids Expt Sci Dept, Albuquerque, NM 87185 USA. [Oelfke, John] ORION Int Technol Inc, Albuquerque, NM 87106 USA. EM klerick@sandia.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 399-PMSE PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109297 ER PT J AU Evans, BR O'Neill, H Hutchens, SA Benson, RS Rawn, CJ AF Evans, Barbara R. O'Neill, Hugh Hutchens, Stacy A. Benson, Roberto S. Rawn, Claudia J. TI CELL 10-A degradable bacterial cellulose composite for bone replacement SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Evans, Barbara R.; O'Neill, Hugh] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Hutchens, Stacy A.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA. [Benson, Roberto S.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Rawn, Claudia J.] Oak Ridge Natl Lab, Diffract & Thermophys Properties Grp, Oak Ridge, TN 37831 USA. EM evansb@ornl.gov; rbenson1@utk.edu NR 0 TC 0 Z9 0 U1 1 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 10-CELL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775101393 ER PT J AU Farnan, I Cho, H Weber, WJ Somers, J Nastren, C Boatner, LA AF Farnan, Ian Cho, Herman Weber, William J. Somers, Joseph Nastren, Catherina Boatner, Lynn A. TI NUCL 117-Magic-angle-spinning nuclear magnetic resonance as a probe of nuclear materials SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Farnan, Ian] Univ Cambridge, Dept Earth Sci, Cambridge CB2 3EQ, England. [Cho, Herman; Weber, William J.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Somers, Joseph; Nastren, Catherina] EC Joint Res Ctr, Inst Transuran Elements, D-76125 Karlsruhe, Germany. [Boatner, Lynn A.] Oak Ridge Natl Lab, Ctr Radiat Detect Mat & Syst, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM ifarnan@esc.cam.ac.uk; hm.cho@pnl.gov; bill.weber@pnl.gov; joseph.somers@ec.europa.eu; boatnerla@ornl.gov RI Farnan, Ian/M-3881-2014 OI Farnan, Ian/0000-0001-7844-5112 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 117-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107465 ER PT J AU Feeley, TJ Jones, AP AF Feeley, Thomas J., III Jones, Andrew P. TI FUEL 33-Developing mercury control technology for coal-fired power plants: From concept to commercial reality SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Feeley, Thomas J., III] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Jones, Andrew P.] Sci Applicat Int Corp, Pittsburgh, PA 15236 USA. EM thomas.feeley@netl.doe.gov; andrew.jones@sa.netl.doe.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 33-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104592 ER PT J AU Feeley, TJ Shuster, E Murphy, J AF Feeley, Thomas J., III Shuster, Erik Murphy, James TI ENVR 191-Estimating freshwater needs to meet future thermoelectric generation requirements: A DOE/NETL assessment SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Feeley, Thomas J., III; Shuster, Erik] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Murphy, James] Sci Applicat Int Corp, Pittsburgh, PA 15236 USA. EM thomas.feeley@netl.doe.gov; erik.shuster@netl.doe.gov; james.murphy@sa.netl.doe.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 191-ENVR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104556 ER PT J AU Fein, JB Kemner, KM Bunker, BA Cygan, RT Jensen, M AF Fein, Jeremy B. Kemner, Kenneth M. Bunker, Bruce A. Cygan, Randall T. Jensen, Mark TI GEOC 90-Metal and radionuclide adsorption onto bacterial cell walls: Constraints from multidisciplinary studies SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Bunker, Bruce A.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Kemner, Kenneth M.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Cygan, Randall T.] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. [Jensen, Mark] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. EM fein@nd.edu; kemner@anl.gov; rtcygan@sandia.gov; mjensen@anl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 90-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105083 ER PT J AU Fenter, P Park, C Kohli, V Nagy, KL Sturchio, NC AF Fenter, Paul Park, Changyong Kohli, Vaibhav Nagy, Kathryn L. Sturchio, Neil C. TI GEOC 131-In situ observations of silicate-water interface reactivity SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Fenter, Paul; Park, Changyong] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Kohli, Vaibhav] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Nagy, Kathryn L.; Sturchio, Neil C.] Univ Illinois, Dept Earth & Environm Sci, Chicago, IL 60607 USA. EM fenter@anl.gov; cypark@anl.gov; v-kohli@northwestern.edu; klnagy@uic.edu RI Park, Changyong/A-8544-2008 OI Park, Changyong/0000-0002-3363-5788 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 131-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105047 ER PT J AU Fenter, P Park, C Kohli, V Catalano, JG Zhang, Z Nagy, KL Sturchio, NC AF Fenter, Paul Park, Changyong Kohli, Vaibhav Catalano, Jeffrey G. Zhang, Zhan Nagy, Kathryn L. Sturchio, Neil C. TI GEOC 16-Inner-sphere vs. outer-sphere: Ion adsorption at the mineral-water interface SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Fenter, Paul; Park, Changyong] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Kohli, Vaibhav] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Catalano, Jeffrey G.] Washington Univ, Dept Earth & Planetary Sci, St Louis, MO 63130 USA. [Zhang, Zhan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Nagy, Kathryn L.; Sturchio, Neil C.] Univ Illinois, Dept Earth & Environm Sci, Chicago, IL 60607 USA. EM fenter@anl.gov; cypark@anl.gov; v-kohli@northwestern.edu; catalano@wustl.edu; klnagy@uic.edu RI Catalano, Jeffrey/A-8322-2013; Park, Changyong/A-8544-2008 OI Catalano, Jeffrey/0000-0001-9311-977X; Park, Changyong/0000-0002-3363-5788 NR 0 TC 0 Z9 0 U1 1 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 16-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105049 ER PT J AU Finlayson-Pitts, BJ Yu, Y Ezell, MJ Johnson, SN Wingen, LM Zelenyuk, A Alexander, L AF Finlayson-Pitts, Barbara J. Yu, Yong Ezell, Michael J. Johnson, Stanley N. Wingen, Lisa M. Zelenyuk, Alla Alexander, Lizabeth TI PHYS 199-Photochemical SOA formation in NOx-organic mixtures SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Finlayson-Pitts, Barbara J.; Yu, Yong; Ezell, Michael J.; Johnson, Stanley N.; Wingen, Lisa M.] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. [Zelenyuk, Alla; Alexander, Lizabeth] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. EM bjfinlay@uci.edu; yongy@uci.edu; mezell@uci.edu; alla.zelenyuk@pnl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 199-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109383 ER PT J AU Firestone, MA Burns, CT Dietz, ML Lee, B Lee, S AF Firestone, Millicent A. Burns, Christopher T. Dietz, Mark L. Lee, Byeongdu Lee, SungYeun TI INOR 915-Hybrid mesoporous silicas as the basis for light-activated metal ion separations media SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Firestone, Millicent A.; Burns, Christopher T.; Lee, SungYeun] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Dietz, Mark L.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. [Lee, Byeongdu] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. EM firestone@anl.gov; burns@anl.gov; mdietz@anl.gov; blee@aps.anl.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 915-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106249 ER PT J AU Fleming, GR Read, E Calhoun, T Schlau-Cohen, G Cheng, YC Lee, H AF Fleming, Graham R. Read, Elizabeth Calhoun, Tessa Schlau-Cohen, Gabriella Cheng, Yuan-Chung Lee, Hohjai TI PHYS 227-Two-dimensional electronic spectroscopy of photosynthetic complexes SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Berkeley, CA 94620 USA. EM GRFleming@lbl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 227-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108734 ER PT J AU Fortner, JA Ebert, WL Kropf, AJ Cunnane, JC AF Fortner, Jeffery A. Ebert, William L. Kropf, A. Jeremy Cunnane, James C. TI NUCL 130-Reductive sorption of Tc onto metallic iron from anion resin elutents SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Fortner, Jeffery A.; Ebert, William L.; Kropf, A. Jeremy; Cunnane, James C.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. EM fortner@anl.gov; ebert@anl.gov; cunnane@anl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 130-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107451 ER PT J AU Fox, JB Stretz, H Payzant, A Meisner, R AF Fox, James B. Stretz, Holly Payzant, Andrew Meisner, Roberta TI PMSE 194-Aggregation of nanoparticles using real-time high temperature X-ray diffraction SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Fox, James B.; Stretz, Holly] Tennessee Technol Univ, Dept Chem Engn, Cookeville, TN 38505 USA. [Payzant, Andrew; Meisner, Roberta] Oak Ridge Natl Lab, Oak Ridge, TN USA. EM jbfox21@tntech.edu; hstretz@tntech.edu; payzanta@ornl.gov; meisnerra@ornl.gov RI Payzant, Edward/B-5449-2009 OI Payzant, Edward/0000-0002-3447-2060 NR 0 TC 0 Z9 0 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 194-PMSE PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109145 ER PT J AU Frank, SF Keiser, DD Hahn, PA AF Frank, Steven F. Keiser, Dennis D. Hahn, Paula A. TI Incorporating technetium and other fission products from processed spent nuclear fuel into a metallic waste form SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Frank, Steven F.; Keiser, Dennis D.; Hahn, Paula A.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM steven.frank@inl.gov; dennis.keiser@inl.gov; paula.hahn@inl.gov RI Frank, Steven/B-9046-2017 OI Frank, Steven/0000-0001-8259-6722 NR 0 TC 0 Z9 0 U1 1 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 131-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107450 ER PT J AU Fried, LE Maiti, A Pagoria, PF Gash, AE Orme, C Gee, R AF Fried, Laurence E. Maiti, Amitesh Pagoria, Philip F. Gash, Alexander E. Orme, Christine Gee, Richard TI CELL 165-Fluoride ionic liquids: A new class of superefficient solvents for H-bonded materials SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Fried, Laurence E.; Maiti, Amitesh; Pagoria, Philip F.; Gash, Alexander E.; Gee, Richard] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Orme, Christine] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM fried1@llnl.gov; pagoria1@llnl..gov; gash2@llnl.gov; orme1@llnl.gov RI Fried, Laurence/L-8714-2014 OI Fried, Laurence/0000-0002-9437-7700 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 165-CELL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775101185 ER PT J AU Friend, CM Wiedemann, SH Deng, XY Bergman, RG Pinnaduwage, D Gao, WW AF Friend, C. M. Wiedemann, Sean H. Deng, Xingyi Bergman, R. G. Pinnaduwage, Dilini Gao, Weiwei TI PETR 14-Hydrocarbon oxidation reactions and local oxygen bonding on metal surfaces SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Friend, C. M.; Pinnaduwage, Dilini; Gao, Weiwei] Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA 02138 USA. [Friend, C. M.; Pinnaduwage, Dilini] Harvard Univ, Sch Eng & Appl Sci, Cambridge, MA 02138 USA. [Wiedemann, Sean H.; Bergman, R. G.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Bergman, R. G.] Univ Calif Berkeley, EO Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Deng, Xingyi] Lawrence Berkeley Natl Labs, Div Mat Sci, Berkeley, CA 94720 USA. EM cfriend@deas.harvard.edu; shw4@uclink.berkeley.edu; XDeng@lbl.gov; wgao@fas.harvard.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 14-PETR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108458 ER PT J AU Friend, CM Deng, XY Liu, XY Baker, TA AF Friend, C. M. Deng, Xingyi Liu, Xiaoying Baker, Thomas A. TI COLL 63-Selectivity switch in N-functionalization of olefins on Au SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Friend, C. M.; Liu, Xiaoying; Baker, Thomas A.] Harvard Univ, Dept Chem & Biol Chem, Cambridge, MA 02138 USA. [Friend, C. M.; Liu, Xiaoying; Baker, Thomas A.] Harvard Univ, Sch Eng & Appl Sci, Cambridge, MA 02138 USA. [Deng, Xingyi] Lawrence Berkeley Natl Labs, Div Mat Sci, Berkeley, CA 94720 USA. EM cfriend@deas.harvard.edu; XDeng@lbl.gov; liu15@fas.harvard.edu; tabaker@fas.harvard.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 63-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103407 ER PT J AU Fugate, GA AF Fugate, Glenn A. TI Kinetics of actinide coordination chemistry SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Fugate, Glenn A.] Savannah River Natl Lab, Aiken, SC 29808 USA. EM Glenn.Fugate@srnl.doe.gov RI Fugate, Glenn/A-1622-2013; Fugate, Glenn/O-9752-2016 OI Fugate, Glenn/0000-0001-7100-690X NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 68-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107434 ER PT J AU Fujita, E Muckerman, JT Tanaka, K AF Fujita, Etsuko Muckerman, James T. Tanaka, Koji TI FUEL 113-Photochemical CO2 reduction by rhenium and ruthenium complexes SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc, Div Cellulose & Renewble Mat C1 [Fujita, Etsuko; Muckerman, James T.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Tanaka, Koji] Inst Mol Sci, Coordinat Lab, Okazaki, Aichi 4448787, Japan. EM fujita@bnl.gov; muckerma@bnl.gov; ktanaka@ims.ac.jp RI Fujita, Etsuko/D-8814-2013; Muckerman, James/D-8752-2013 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 113-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104679 ER PT J AU Gadda, G Finnegan, S Yuan, HL Orville, AM AF Gadda, Giovanni Finnegan, Steffan Yuan, Hongling Orville, Allen M. TI BIOL 89-Novel insights on the reactivity of reduced flavoenzymes with oxygen SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Gadda, Giovanni; Finnegan, Steffan; Yuan, Hongling] Georgia State Univ, Dept Chem, Atlanta, GA 30303 USA. [Orville, Allen M.] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. EM ggadda@gsu.edu; sfinnegan1@gsu.edu; hyuan1@gsu.edu; amorv@bnl.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 89-BIOL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775100616 ER PT J AU Gaffney, KJ AF Gaffney, Kelly J. TI PHYS 112-Ultrafast X-ray scattering studies of structural dynamics SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Gaffney, Kelly J.] Stanford Univ, Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. EM kgaffney@slac.stanford.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 112-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108625 ER PT J AU Gamwo, IK Myshakin, EM Zhang, W Warzinski, RP AF Gamwo, Isaac K. Myshakin, Evgeniy M. Zhang, Wu Warzinski, Robert P. TI FUEL 215-Simulation of methane production in a laboratory-scale reactor containing hydrate-bearing porous medium SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Gamwo, Isaac K.; Zhang, Wu; Warzinski, Robert P.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Zhang, Wu] W Virginia Univ, Dept Chem Engn, Morgantown, WV 26506 USA. EM gamwo@netl.doe.gov; Evgeniy.Myshakin@netl.doe.gov; Wu.Zhang@mail.wvu.edu; warzinski@netl.doe.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 215-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104746 ER PT J AU Garcia, MA Ali, MN Chang, NN Nitsche, H AF Garcia, Mitch A. Ali, M. N. Chang, Noel N. Nitsche, Heino TI CHED 184-Development of chemical forums, blogs, wikis, RSS feeds, crowdsourcing, and social bookmarking websites for chemistry SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Garcia, Mitch A.] UC Berkeley, Coll Chem, Berkeley, CA 94720 USA. [Ali, M. N.; Chang, Noel N.] UC Berkeley, Div Nucl Sci, LBNL, Berkeley, CA 94720 USA. [Nitsche, Heino] UC Berkeley, Dept Chem, Div Nucl Sci, Berkeley, CA 94720 USA. EM hnitsche@lbl.gov RI Garcia, Mitch/G-2413-2010; Ali, Mazhar/C-6473-2013 OI Ali, Mazhar/0000-0002-1129-6105 NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 184-CHED PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775101887 ER PT J AU Gates, JM Sudowe, R Ali, MN Calvert, MG Dragojevic, I Ellison, PA Garcia, MA Gharibyan, N Gregorich, KE Nelson, SL Neumann, SH Parsons-Moss, T Stavsetra, L Nitsche, H AF Gates, J. M. Sudowe, Ralf Ali, M. N. Calvert, Michael G. Dragojevic, Irena Ellison, P. A. Garcia, M. A. Gharibyan, N. Gregorich, Kenneth E. Nelson, Sarah L. Neumann, S. H. Parsons-Moss, T. Stavsetra, L. Nitsche, Heino TI Extraction systems for the study of dubnium SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Sudowe, Ralf] Univ Las Vegas, Dept Hlth Phys, Nevada, NV 89145 USA. [Calvert, Michael G.; Gharibyan, N.] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Chem, Div Nucl Sci, Berkeley, CA 94720 USA. [Neumann, S. H.] Aachen Univ Appl Sci, Dept Appl Sci & Technol, D-52428 Julich, Germany. EM Ralf.Sudowe@unlv.edu; KEGregorich@lbl.gov; slnelson@lbl.gov; HNitsche@lbl.gov RI Garcia, Mitch/G-2413-2010; Ali, Mazhar/C-6473-2013 OI Ali, Mazhar/0000-0002-1129-6105 NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 23-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107428 ER PT J AU Ge, YB Gordon, MS Piecuch, P Wloch, M Gour, JR AF Ge, Yingbin Gordon, Mark S. Piecuch, Piotr Wloch, Marta Gour, Jeffrey R. TI PHYS 124-Breaking bonds of open-shell species with the restricted open-shell size extensive left eigenstate completely renormalized coupled-cluster method SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Ge, Yingbin; Gordon, Mark S.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Piecuch, Piotr; Wloch, Marta; Gour, Jeffrey R.] Michigan State Univ, Dept Chem, Coll Nat Sci, E Lansing, MI 48824 USA. [Piecuch, Piotr; Wloch, Marta; Gour, Jeffrey R.] Michigan State Univ, Dept Phys & Astron, Coll Nat Sci, E Lansing, MI 48824 USA. EM yingbin@si.msg.chem.iastate.edu; mark@si.msg.chem.iastate.edu; piecuch@chemistry.msu.edu; wloch@msu.edu; gourjeff@chemistry.msu.edu NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 124-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108748 ER PT J AU Gelis, AV Bowers, DL Hebden, AS Pereira, C Regalbuto, M Vandegrift, GF AF Gelis, Artem V. Bowers, Delbert L. Hebden, Andrew S. Pereira, Candido Regalbuto, Monica Vandegrift, George F. TI NUCL 113-Chemistry of actinides and lanthanides in TALSPEAK, TRUEX and NPEX processes of UREX SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Gelis, Artem V.; Bowers, Delbert L.; Hebden, Andrew S.; Pereira, Candido; Regalbuto, Monica; Vandegrift, George F.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. EM guelis@cmt.anl.gov; bowers@cmt.anl.gov; pereira@anl.gov NR 0 TC 0 Z9 0 U1 1 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 113-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107395 ER PT J AU Gellman, AJ Miller, JB Priyadarshini, D Matranga, C AF Gellman, Andrew J. Miller, James B. Priyadarshini, Deepika Matranga, Christopher TI COLL 35-High throughput study of segregation at CuPd alloy surfaces SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Gellman, Andrew J.; Miller, James B.; Priyadarshini, Deepika] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. [Matranga, Christopher] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM gellman@cmu.edu; jbmiller@andrew.cmu.edu; christopher.matranga@netl.doe.gov RI Matranga, Christopher/E-4741-2015 OI Matranga, Christopher/0000-0001-7082-5938 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 35-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103634 ER PT J AU Gilles, MK Hopkins, RJ Tivanski, AV Laskin, A Desyaterik, Y Tyliszczak, T AF Gilles, Mary K. Hopkins, Rebecca J. Tivanski, Alexei V. Laskin, Alexander Desyaterik, Y. Tyliszczak, Tolek TI COLL 351-Characterizing black carbons and biomass burn particulates: Evidence for oxygenated interfaces on aged biomass burn particulates SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Tyliszczak, Tolek] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Hopkins, Rebecca J.] DSTL Porton Down, Def Sci & Technol Lab, Detect Dept, Salisbury, Wilts, England. [Tivanski, Alexei V.] Univ Iowa, Dept Chem, Iowa City, IA 52242 USA. [Laskin, Alexander; Desyaterik, Y.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. EM mkgilles@lbl.gov; RJhopkins@mail.dstl.gov.uk; alexei-tivanski@uiowa.edu; Alexander.Laskin@pnl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 351-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103478 ER PT J AU Goldman, N Mundy, CJ Reed, EJ Kuo, IFW Fried, LE Curioni, A AF Goldman, Nir Mundy, Christopher J. Reed, Evan J. Kuo, I. Feng W. Fried, Laurence E. Curioni, Alessandro TI COMP 41-Ultrafast transformation of graphite to diamond: An ab initio study of graphite under shock compression SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Goldman, Nir; Reed, Evan J.; Kuo, I. Feng W.] Lawrence Livermore Natl Lab, Chem Mat Earth & Life Sci Directorate, Livermore, CA 94550 USA. [Mundy, Christopher J.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Curioni, Alessandro] IBM Res, Zurich Res Lab, CH-8803 Ruschlikon, Switzerland. EM goldman14@llnl.gov; chris.mundy@pnl.gov; kuo2@llnl.gov; fried1@llnl.gov; cur@zurich.ibm.com RI Fried, Laurence/L-8714-2014 OI Fried, Laurence/0000-0002-9437-7700 NR 0 TC 0 Z9 0 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 41-COMP PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104050 ER PT J AU Goldman, N Reed, EJ Fried, LE Mundy, CJ Kuo, IFW Curioni, A AF Goldman, Nir Reed, Evan J. Fried, Laurence E. Mundy, Christopher J. Kuo, I. Feng W. Curioni, Alessandro TI COMP 37-Ab initio molecular dynamics simulations of water under shock compression: Chemistry behind shock fronts SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Goldman, Nir; Reed, Evan J.; Kuo, I. Feng W.] Lawrence Livermore Natl Lab, Chem Mat Earth & Life Sci Directorate, Livermore, CA 94550 USA. [Mundy, Christopher J.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Curioni, Alessandro] IBM Res, Zurich Res Lab, CH-8803 Ruschlikon, Switzerland. EM goldman14@llnl.gov; fried1@llnl.gov; chris.mundy@pnl.gov; kuo2@llnl.gov; cur@zurich.ibm.com RI Fried, Laurence/L-8714-2014 OI Fried, Laurence/0000-0002-9437-7700 NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 37-COMP PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104049 ER PT J AU Gombert, D AF Gombert, Dirk, II TI NUCL 126-Global nuclear energy partnership waste treatment baseline SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Gombert, Dirk, II] Idaho Natl Lab, Idaho Falls, ID 83402 USA. EM dirk.gombert@inl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 126-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107371 ER PT J AU Gordon, MS Arora, P Zahariev, F Sok, S Yoo, S AF Gordon, Mark S. Arora, Poja Zahariev, Federico Sok, Sarom Yoo, Soohaeng TI PHYS 6-Solvent-induced shifts using a combined QM-Effective Fragment Potential approach SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Gordon, Mark S.] Iowa State Univ, Dept Chem, Scalable Comp Lab, Ames, IA 50011 USA. [Arora, Poja] Iowa State Univ, Dept Chem, Ames Lab, Ames, IA 50011 USA. [Zahariev, Federico; Sok, Sarom; Yoo, Soohaeng] Iowa State Univ, Ames Lab USDOE, Ames, IA 50011 USA. EM mark@si.fi.ameslab.gov; pooja@si.msg.chem.iastate.edu; federico@si.msg.chem.iastate.edu; ssok1@iastate.edu; soohaeng@si.msg.chem.iastate.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 6-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108904 ER PT J AU Grant, CD Crowhurst, JC Hamel, S Zaitseva, N Williamson, A AF Grant, Christian D. Crowhurst, Jonathan C. Hamel, Sebastien Zaitseva, Natalia Williamson, Andrew TI PHYS 454-Anomalous photoluminescence in CdSe quantum dot solids at high pressure due to nonuniform stress SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Grant, Christian D.; Crowhurst, Jonathan C.] Lawrence Livermore Natl Lab, Div Chem Sci, CMELS, Livermore, CA 94550 USA. [Hamel, Sebastien; Zaitseva, Natalia] Lawrence Livermore Natl Lab, H Div, Livermore, CA 94550 USA. [Williamson, Andrew] Phys Ventures, San Francisco, CA 94111 USA. EM grant29@llnl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 454-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109768 ER PT J AU Grate, JW Egorov, OB O'Hara, MJ AF Grate, Jay W. Egorov, Oleg B. O'Hara, Matthew J. TI NUCL 92-Automated analytical-scale separations for actinides SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Grate, Jay W.] Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99352 USA. [Egorov, Oleg B.] Isoray Inc, Richland, WA 99354 USA. [O'Hara, Matthew J.] Pacific NW Natl Lab, Environm Technol Directorate, Richland, WA 99352 USA. EM jwgrate@pnl.gov; oegorov@isoray.com; matthew.ohara@pnl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 92-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107356 ER PT J AU Grate, JW O'Hara, MJ Egorov, OB AF Grate, Jay W. O'Hara, Matthew J. Egorov, Oleg B. TI ENVR 151-Preconcentrating minicolumn sensors: A new concept for trace environmental sensing SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Grate, Jay W.] Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99352 USA. [O'Hara, Matthew J.] Pacific NW Natl Lab, Environm Technol Directorate, Richland, WA 99352 USA. [Egorov, Oleg B.] Isoray Inc, Richland, WA 99354 USA. EM jwgrate@pnl.gov; matthew.ohara@pnl.gov; oegorov@isoray.com NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 151-ENVR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104299 ER PT J AU Greathouse, JA Kinnibrugh, TL Allendorf, MD AF Greathouse, Jeffery A. Kinnibrugh, Tiffany L. Allendorf, Mark D. TI INOR 969-Molecular simulation of gas adsorption in IRMOF-1 using a flexible force field SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc, Div Cellulose & Renewble Mat C1 [Greathouse, Jeffery A.] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. [Kinnibrugh, Tiffany L.] New Mexico Highlands Univ, Dept Nat Sci, Las Vegas, NM 87701 USA. [Allendorf, Mark D.] Sandia Natl Labs, Microfluid Dept, Livermore, CA 94551 USA. EM jagreat@sandia.gov; mdallen@sandia.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 969-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105670 ER PT J AU Greathouse, JA Durkin, JS Cygan, RT AF Greathouse, Jeffery A. Durkin, Justin S. Cygan, Randall T. TI GEOC 137-Molecular simulations of hydroxyl behavior in clay minerals SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Greathouse, Jeffery A.; Durkin, Justin S.; Cygan, Randall T.] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. EM jagreat@sandia.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 137-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105017 ER PT J AU Greeley, JP AF Greeley, Jeffrey P. TI PETR 124-First-principles investigations of electrochemistry SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Greeley, Jeffrey P.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. EM jgreeley@anl.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 124-PETR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108500 ER PT J AU Greeley, JP Norskov, JK AF Greeley, Jeffrey P. Norskov, Jens K. TI COLL 130-Trends in the stability of electrocatalytic alloys from first principles SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Greeley, Jeffrey P.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Norskov, Jens K.] Tech Univ Denmark, Ctr Atom Scale Mat Design, DK-2800 Lyngby, Denmark. EM jgreeley@anl.gov; norskov@fysik.dtu.dk RI Norskov, Jens/D-2539-2017 OI Norskov, Jens/0000-0002-4427-7728 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 130-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103602 ER PT J AU Gregg, BA Wang, D Kopidakis, N Ai, X AF Gregg, Brian A. Wang, Dong Kopidakis, Nikos Ai, Xin TI COLL 365-Chemically modifying defects in pi-conjugated polymer films SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Kopidakis, Nikos; Ai, Xin] Natl Renewable Energy Lab, Chem & Biosci Ctr, Golden, CO 80401 USA. EM dong_wang@nrel.gov; nikos_kopidakis@nrel.gov; xin_ai@nrel.gov RI Kopidakis, Nikos/N-4777-2015 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 365-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103404 ER PT J AU Gutowski, MSJ Eustis, S Radisic, D Bowen, KH Bachorz, R Haranczyk, M Schenter, GK AF Gutowski, Maciej S. J. Eustis, Soren Radisic, Dunja Bowen, Kit H. Bachorz, Rafal Haranczyk, Maciej Schenter, Gregory K. TI PHYS 77-Electron-driven acid-base chemistry: Proton transfer from hydrogen chloride to ammonia studied by anion photoelectron spectroscopy and ab initio theory SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Gutowski, Maciej S. J.] Heriot Watt Univ, Chem Sch Engn & Phys Sci, Edinburgh EH14 4AS, Midlothian, Scotland. [Eustis, Soren] Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA. [Bachorz, Rafal] Univ Karlsruhe, CFN, D-76128 Karlsruhe, Germany. [Bachorz, Rafal] Univ Karlsruhe, Lehrstuhl Theoret Chem, Inst Phys Chem, D-76128 Karlsruhe, Germany. [Haranczyk, Maciej] Univ Gdansk, Dept Chem, PL-80952 Gdansk, Poland. [Schenter, Gregory K.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. EM m.gutowski@hw.ac.uk; dunja@jhu.edu; kbowen@jhu.edu; maharan@chem.univ.gda.pl; greg.schenter@pnl.gov RI Schenter, Gregory/I-7655-2014 OI Schenter, Gregory/0000-0001-5444-5484 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 77-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109473 ER PT J AU Haight, RC AF Haight, Robert C. TI NUCL 82-Gas production by fast neutrons for assessing radiation damage SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Haight, Robert C.] Los Alamos Natl Lab, LANSCE NS, Los Alamos, NM 87545 USA. EM haight@lanl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 82-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107346 ER PT J AU Halder, GJ Chapman, KW Engerer, LK Funk, RJ Geiser, U Curtiss, LA Schlueter, JA AF Halder, Gregory J. Chapman, Karena W. Engerer, Laura K. Funk, Russell J. Geiser, Urs Curtiss, Larry A. Schlueter, John A. TI INOR 962-In situ X-ray diffraction studies of host-guest properties in a series of porous triazolate-based frameworks SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Halder, Gregory J.; Engerer, Laura K.; Funk, Russell J.; Geiser, Urs; Schlueter, John A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Chapman, Karena W.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Curtiss, Larry A.] Argonne Natl Lab, Div Chem Sci, Argonne, IL 60439 USA. [Curtiss, Larry A.] Argonne Natl Lab, Div Engn, Argonne, IL 60439 USA. [Curtiss, Larry A.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. EM halder@anl.gov; chapman@aps.anl.gov; ugeiser@anl.gov; JASchlueter@anl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 962-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106442 ER PT J AU Hamilton, CW Morris, DE Blair, MW Henson, NJ Martin, RL Cross, JL Sutton, AD Jantunen, KC Scott, BL Baker, RT AF Hamilton, Charles W. Morris, David E. Blair, Michael W. Henson, Neil J. Martin, Richard L. Cross, Jeffrey L. Sutton, Andrew D. Jantunen, Kimberly C. Scott, Brian L. Baker, R. Tom TI INOR 50-When is addition of X-Y to M not oxidative? SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Hamilton, Charles W.; Sutton, Andrew D.; Baker, R. Tom] Los Alamos Natl Lab, Inorgan Isotope & Actinide Chem Grp, Los Alamos, NM 87545 USA. [Blair, Michael W.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Martin, Richard L.; Jantunen, Kimberly C.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Cross, Jeffrey L.; Jantunen, Kimberly C.; Scott, Brian L.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. EM chamilton@lanl.gov; rlmartin@lanl.gov; jlcross@lanl.gov; jantunen@lanl.gov; bscott@lanl.gov; bakertom@lanl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 50-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106139 ER PT J AU Hamilton, CW Baker, RT Shrestha, R Semelsberger, TA AF Hamilton, Charles W. Baker, R. Tom Shrestha, Roshan Semelsberger, Troy A. TI INOR 147-Cheap, easy, fast and selective: Optimizing catalysts for ammonia-borane dehydrogenation SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Hamilton, Charles W.] Los Alamos Natl Lab, Inorgan Isotope & Actinide Chem Grp, Los Alamos, NM 87545 USA. [Baker, R. Tom] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Shrestha, Roshan; Semelsberger, Troy A.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. EM chamilton@lanl.gov; bakertom@lanl.gov; rshrestha@lanl.gov; troy@lanl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 147-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106056 ER PT J AU Hammond, JR Kowalski, K AF Hammond, Jeff R. Kowalski, Karol TI PHYS 95-Nonlinear optical spectroscopy of conjugated molecules using coupled-cluster theory SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Hammond, Jeff R.] Univ Chicago, Dept Chem, Ctr Integrat Sci, Chicago, IL 60637 USA. [Kowalski, Karol] Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. EM jhammond@uchicago.edu; karol.kowalski@pnl.gov NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 95-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108657 ER PT J AU Hammond, JR Kowalski, K AF Hammond, Jeff R. Kowalski, Karol TI COMP 204-Coupled-cluster theory on supercomputers SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Hammond, Jeff R.] Univ Chicago, Dept Chem, Ctr Integrat Sci, Chicago, IL 60637 USA. [Kowalski, Karol] Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. EM jhammond@uchicago.edu; karol.kowalski@pnl.gov NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 204-COMP PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104042 ER PT J AU Han, WQ Wen, W Teng, XW Maninkovic, N Hanson, JC Rodnguez, J AF Han, Wei-Qiang Wen, Wen Teng, Xiaowei Maninkovic, Nebojsa Hanson, Jonathan C. Rodnguez, Jose TI CATL 35-High-performance catalyst for hydrogen production based on 1-D ceria SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Han, Wei-Qiang; Teng, Xiaowei] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Wen, Wen; Hanson, Jonathan C.; Rodnguez, Jose] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Maninkovic, Nebojsa] Univ Delaware, Dept Chem Engn, Newark, DE 19716 USA. EM whan@bnl.gov; wwen@bnl.gov; marinkov@bnl.gov RI Han, WQ/E-2818-2013 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 35-CATL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775101138 ER PT J AU Harding, LB Klippenstein, SJ Miller, JA AF Harding, Lawrence B. Klippenstein, Stephen J. Miller, James A. TI PHYS 731-Kinetics of CH + N-2 revisited with multireference methods SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc, Div Cellulose & Renewble Mat C1 [Harding, Lawrence B.; Klippenstein, Stephen J.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Miller, James A.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. EM harding@anl.gov; sjk@anl.gov; jamille@sandia.gov NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 731-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109247 ER PT J AU Harrison, RJ Fann, GI Beste, A Sugiki, S Hartman-Baker, R AF Harrison, Robert J. Fann, George I. Beste, Ariana Sugiki, Shinichiro Hartman-Baker, Rebecca TI PHYS 144-Multiresolution quantum chemistry SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Harrison, Robert J.] Oak Ridge Natl Lab, Computat Chem Sci Grp, Oak Ridge, TN 37831 USA. [Beste, Ariana] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. EM harrisonrj@ornl.gov; fanngi@ornl.gov; bestea@ornl.gov; hqi@ornl.gov NR 0 TC 0 Z9 0 U1 0 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 144-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109683 ER PT J AU Hay, BP AF Hay, Benjamin P. TI INOR 553-De novo structure-based design of high symmetry coordination clusters SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Hay, Benjamin P.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM haybp@ornl.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 553-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105425 ER PT J AU He, JB Zhang, QL Gupta, S Thiyagarajan, P Emrick, T Russell, TP AF He, Jinbo Zhang, Qingling Gupta, Suresh Thiyagarajan, Pappannan Emrick, Todd Russell, Thomas P. TI PMSE 107-Self-assembly of nanorods at fluid-fluid interfaces: Orientation and packing SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [He, Jinbo; Zhang, Qingling; Gupta, Suresh; Emrick, Todd; Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. [Thiyagarajan, Pappannan] Argonne Natl Lab, Intense Pulsed Neutron Source, Argonne, IL 60439 USA. NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 107-PMSE PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109180 ER PT J AU Head-Gordon, M AF Head-Gordon, Martin TI PHYS 2-Simple and accurate electronic structure methods for molecular ground and excited states SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Head-Gordon, Martin] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM mhg@cchem.berkeley.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 2-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108688 ER PT J AU Hegg, EL Kreuzer-Martin, HW Podlesak, DW AF Hegg, Eric L. Kreuzer-Martin, Helen W. Podlesak, David W. TI INOR 215-Stable isotopes reveal intracellular metabolic water SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Hegg, Eric L.] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA. [Kreuzer-Martin, Helen W.] Pacific NW Natl Lab, Richland, WA 99350 USA. [Podlesak, David W.] Univ Utah, Dept Biol, Salt Lake City, UT 84112 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 215-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106379 ER PT J AU Hemminger, JC Krisch, MJ Brown, MA Bluhm, H Mun, S AF Hemminger, John C. Krisch, Maria J. Brown, Matthew A. Bluhm, Hendrik Mun, Simon TI PHYS 675-Photoelectron spectroscopy studies of liquid/vapor interfaces: Composition and reactions at the surfaces of models for tropospheric aerosols SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Hemminger, John C.; Krisch, Maria J.; Brown, Matthew A.] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. [Hemminger, John C.; Krisch, Maria J.; Brown, Matthew A.] Univ Calif Irvine, AirUCI, Irvine, CA 92697 USA. [Bluhm, Hendrik; Mun, Simon] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM jchemmin@uci.edu; mkrisch@uci.edu; mabrown@uci.edu; HBluhm@lbl.gov NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 675-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109404 ER PT J AU Henderson, MA AF Henderson, Michael A. TI COLL 354-Influence of hydrophilic-hydrophobic interactions in photochemistry on TiO2 SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc, Div Cellulose & Renewble Mat C1 [Henderson, Michael A.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. EM ma.henderson@pnl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 354-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103549 ER PT J AU Henderson, RA Kenneally, JM Moody, KJ Shaughnessy, DA AF Henderson, Roger A. Kenneally, Jacqueline M. Moody, Kenton J. Shaughnessy, Dawn A. TI NUCL 25-A new separation scheme for Db using Eichrom's DGA resin SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Kenneally, Jacqueline M.] Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94551 USA. [Moody, Kenton J.] Lawrence Livermore Natl Lab, AX Div, Livermore, CA 94550 USA. EM henderson55@llnl.gov; kenneally1@llnl.gov; shaughnessy2@llnl.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 25-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107396 ER PT J AU Herberg, JL Demas, V Malba, V Bernhardt, A Evan, L Maxwell, R AF Herberg, Julie L. Demas, Vasiliki Malba, Vince Bernhardt, Anthony Evan, Lee Maxwell, Robert TI NUCL 121-Low cost CE-NMR with microcoils for characterization of actinide materials SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Herberg, Julie L.; Demas, Vasiliki; Malba, Vince; Bernhardt, Anthony; Evan, Lee; Maxwell, Robert] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM herberg1@llnl.gov; demas2@llnl.gov; malba@llnl.gov; bernhardt1@llnl.gov; maxwell7@llnl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 121-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107457 ER PT J AU Herranz, T Deng, XY Cabot, A Alivisatos, AP Guo, J Salmeron, M AF Herranz, Tirma Deng, Xingyi Cabot, Andreu Alivisatos, A. Paul Guo, Jinghua Salmeron, Miquel TI PHYS 8-In situ spectroscopy of monodispersed cobalt nanoparticles during reduction and carbon monoxide hydrogenation SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Herranz, Tirma; Deng, Xingyi; Cabot, Andreu; Alivisatos, A. Paul; Salmeron, Miquel] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Guo, Jinghua] Adv Light Source, Berkeley, CA 94720 USA. EM THerranzCruz@lbl.gov; XDeng@lbl.gov; acabot@berkeley.edu; apalivisatos@lbl.gov; JGuo@lbl.gov RI Herranz, Tirma/A-8656-2008; andreu, cabot/B-5683-2014 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 8-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109751 ER PT J AU Herring, AM Stains, RJ Ferrell, JR Kuo, MC Turner, JA AF Herring, Andrew M. Stains, Ronald J. Ferrell, Jack R., III Kuo, Mei Chen Turner, John A. TI PETR 134-The use of heteropolyacids in fuel cell catalyst layers SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Herring, Andrew M.; Stains, Ronald J.; Ferrell, Jack R., III; Kuo, Mei Chen] Colorado Sch Mines, Dept Chem Engn, Golden, CO 80401 USA. [Turner, John A.] Natl Renewable Energy Lab, Golden, CO 80401 USA. EM aherring@mines.edu; rstanis@mines.edu; jferrell@mines.edu; mkuo@mines.edu; john_turner@nrel.gov RI Herring, Andy/E-7088-2010 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 134-PETR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108453 ER PT J AU Hicks, JC Drese, JH Fauth, DJ Gray, ML Jones, CW AF Hicks, Jason C. Drese, Jeffrey H. Fauth, Daniel J. Gray, McMahan L. Jones, Christopher W. TI FUEL 108-Stable aminopolymer-silica hybrid material capable of capturing CO2 reversibly from simulated flue gas SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Hicks, Jason C.; Drese, Jeffrey H.; Jones, Christopher W.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. [Fauth, Daniel J.; Gray, McMahan L.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM jason.hicks@chbe.gatech.edu; jeffrey.drese@chbe.gatech.edu; fauth@netl.doe.gov; cjones@chbe.gatech.edu NR 0 TC 0 Z9 0 U1 1 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 108-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104715 ER PT J AU Hill, TS AF Hill, T. S. TI NUCL 81-Recent high precision fission and capture measurements at LANSCE for GNEP SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Hill, T. S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM Tony.Hill@lanl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 81-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107344 ER PT J AU Hinestrosa, JP Alonzo, J Liu, M Osa, M Mays, JW Kilbey, SM AF Hinestrosa, Juan Pablo Alonzo, Jose Liu, Ming Osa, Masashi Mays, Jimmy W. Kilbey, S. Michael TI PMSE 23-Kinetics of adsorption of polystyrene- polyisoprene miktoarm copolymers SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Hinestrosa, Juan Pablo; Alonzo, Jose; Kilbey, S. Michael] Clemson Univ, Dept Chem & Biomol Engn, Clemson, SC 29634 USA. [Liu, Ming; Mays, Jimmy W.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Osa, Masashi] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM jhinest@clemson.edu; mliu3@utk.edu; osam@ornl.gov; jimmymays@utk.edu; mkilbey@clemson.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 23-PMSE PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109272 ER PT J AU Hinestrosa, JP Alonzo, J Liu, M Osa, M Mays, JW Kilbey, SM AF Hinestrosa, Juan Pablo Alonzo, Jose Liu, Ming Osa, Masashi Mays, Jimmy W. Kilbey, S. Michael TI PMSE 281-Solution properties and adsorbed morphology of polystyrene - polyisoprene miktoarm copolymers SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Hinestrosa, Juan Pablo; Alonzo, Jose; Kilbey, S. Michael] Clemson Univ, Dept Chem & Biomol Engn, Clemson, SC 29634 USA. [Liu, Ming; Mays, Jimmy W.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Osa, Masashi] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM jhinest@clemson.edu; mliu3@utk.edu; osam@ornl.gov; jimmymays@utk.edu; mkilbey@clemson.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 281-PMSE PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109146 ER PT J AU Hobart, DE Peterson, DS Hastings, EP Tandon, L AF Hobart, David E. Peterson, Dominic S. Hastings, Elizabeth P. Tandon, Lav TI NUCL 105-Applications of diffuse reflectance spectroscopy to the analysis and characterization of actinide solids SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Hobart, David E.; Peterson, Dominic S.; Hastings, Elizabeth P.; Tandon, Lav] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. EM dhobart@lanl.gov; dominicp@lanl.gov; ehastings@lanl.gov; tandon@lanl.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 105-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107374 ER PT J AU Hobbs, DT Nyman, MD AF Hobbs, D. T. Nyman, M. D. TI Actinide selectivity among titanate-based sorbents SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Hobbs, D. T.] Washington Savannah River Co, Savannah River Natl Lab, Aiken, SC 29808 USA. [Nyman, M. D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. EM david.hobbs@srnl.doe.gov; mdnyman@sandia.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 96-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107422 ER PT J AU Hochbaum, AI Chen, RK Majumdar, A Yang, PD AF Hochbaum, Allon I. Chen, Renkun Majumdar, Arun Yang, Peidong TI PHYS 194-Enhanced thermoelectric performance in rough silicon nanowires SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Hochbaum, Allon I.; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Chen, Renkun; Majumdar, Arun] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Majumdar, Arun] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM hochbaum@berkeley.edu NR 0 TC 0 Z9 0 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 194-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108738 ER PT J AU Hodgson, KO AF Hodgson, Keith O. TI INOR 35-Advances in structural analyses of complex molecules SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Hodgson, Keith O.] Stanford Univ, Dept Chem, Stanford, CA 94309 USA. [Hodgson, Keith O.] Stanford Univ, Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 35-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106548 ER PT J AU Horvath-Lohr, LM Vesper, DJ Thompson, RL Schroeder, K AF Horvath-Lohr, Lisa M. Vesper, Dorothy J. Thompson, Robert L. Schroeder, Karl TI GEOC 218-Speciation of selenium associated with coal-combustion by-products using HPLC-ICP-MS SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Horvath-Lohr, Lisa M.; Vesper, Dorothy J.] W Virginia Univ, Dept Geol & Geog, Morgantown, WV 26506 USA. [Schroeder, Karl] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Thompson, Robert L.] Parsons, South Pk, PA 15129 USA. EM lhorvath@mix.wvu.edu; dorothy.vesper@mail.wvu.edu; robert.thompson@pp.netl.doe.gov; schroede@netl.doe.gov NR 0 TC 0 Z9 0 U1 1 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 218-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105125 ER PT J AU Hu, JC Chen, LF Li, Z Zhu, KK Richards, RM AF Hu, Juncheng Chen, Lifang Li, Zhi Zhu, Kake Richards, Ryan M. TI PHYS 511-Preparation and surface activity of single crystalline NiO(111) nanosheets with hexagonal holes SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Hu, Juncheng; Chen, Lifang; Li, Zhi; Richards, Ryan M.] Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA. [Zhu, Kake] Pacific NW Natl Lab, Richland, WA 99352 USA. EM jhu@mines.edu; zli@mines.edu; kake.zhu@pnl.gov; rrichard@mines.edu RI Richards, Ryan/B-3513-2008; Hu, Juncheng/F-4123-2010 OI Hu, Juncheng/0000-0003-0896-1474 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 511-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109281 ER PT J AU Hupp, JT Martinson, ABF Hamann, TW Faia, MC Elam, JW Pellin, MJ AF Hupp, Joseph T. Martinson, Alex B. F. Hamann, Thomas W. Faia, Mary C. Elam, Jeffrey W. Pellin, Michael J. TI INOR 576-Synthesis and solar-cell applications of new photoelectrode architectures SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Hupp, Joseph T.; Martinson, Alex B. F.; Hamann, Thomas W.; Faia, Mary C.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Pellin, Michael J.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. EM j-hupp@northwestern.edu; a-martinson2@northwestern.edu; t-hamann@northwestern.edu; jelam@anl.gov RI Pellin, Michael/B-5897-2008; Hupp, Joseph/K-8844-2012 OI Pellin, Michael/0000-0002-8149-9768; Hupp, Joseph/0000-0003-3982-9812 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 576-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105771 ER PT J AU Jacobs, G Sarkar, A Ji, YY Davis, BH Cronauer, DC Kropf, AJ Marshall, CL AF Jacobs, Gary Sarkar, Amitava Ji, Yaying Davis, Burtron H. Cronauer, Donald C. Kropf, A. Jeremy Marshall, Christopher L. TI FUEL 75-Application of a novel TPR EXAFS/XANES method using a multisample holder to characterize promoted iron and cobalt Fischer-Tropsch synthesis catalysts SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc ID SUPPORT C1 [Jacobs, Gary; Sarkar, Amitava; Ji, Yaying; Davis, Burtron H.] Univ Kentucky, Ctr Appl Energy Res, Lexington, KY 40511 USA. [Cronauer, Donald C.] Argonne Natl Lab, Div Chem Engn, Argonne, IL 60439 USA. [Kropf, A. Jeremy; Marshall, Christopher L.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. EM jacobs@caer.uky.edu; sarkar@caer.uky.edu; davis@caer.uky.edu; dccronauer@anl.gov NR 5 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 75-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104717 ER PT J AU Jakubenas, K Gonzalez, M AF Jakubenas, Kevin Gonzalez, Manny TI COMSCI 5-Alliance for Advanced Energy Solutions: A case study SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Jakubenas, Kevin] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Gonzalez, Manny] Chevron Corp, Houston, TX 77042 USA. EM mukund@chevron.com NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 5-COMSCI PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104272 ER PT J AU Jarvis, MW Daily, JW Carstensen, HH Dean, AM Nimlos, MR AF Jarvis, Mark W. Daily, John W. Carstensen, Hans-Heinnich Dean, Anthony M. Nimlos, Mark R. TI FUEL 163-Unimolecular decomposition reactions of 2-Phenylethyl phenyl ether SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Jarvis, Mark W.; Daily, John W.] Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA. [Carstensen, Hans-Heinnich; Dean, Anthony M.] Colorado Sch Mines, Dept Chem Engn, Golden, CO 80401 USA. [Nimlos, Mark R.] Natl Renewable Energy Lab, Golden, CO 80401 USA. EM mark_jarvis@colorado.edu; hcarsten@mines.edu; amdean@mines.edu; mark_nimlos@nrel.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 163-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104786 ER PT J AU Jeskie, KB AF Jeskie, Kimberly Begley TI CHAS 15-Integrating hazards analysis into planning research and development projects SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Jeskie, Kimberly Begley] Oak Ridge Natl Lab, Phys Sci Directorate, Oak Ridge, TN 37831 USA. EM jeskiekb@ornl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 15-CHAS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775101494 ER PT J AU Jing, J Burton-Pye, BP Antonio, MR Francesconi, LC AF Jing, Jing Burton-Pye, Benjamin P. Antonio, Mark R. Francesconi, Lynn C. TI INOR 672-Ln/Y-substituted Wells-Dawson polyoxometalates: Redox properties and spectroelectrochemistry SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Jing, Jing; Burton-Pye, Benjamin P.; Francesconi, Lynn C.] CUNY Hunter Coll, Dept Chem, New York, NY 10021 USA. [Antonio, Mark R.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. EM jjing@hunter.cuny.edu; bburtonp@hunter.cuny.edu; mantonio@anl.gov; lfrances@hunter.cuny.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 672-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106289 ER PT J AU Jing, J Burton-Pye, BP Francesconi, LC Antonio, MR AF Jing, Jing Burton-Pye, Benjamin P. Francesconi, Lynn C. Antonio, Mark R. TI INOR 1089-Redox chemistry and coordination of rare-earth elements in organic-soluble polyoxometalates SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Jing, Jing; Burton-Pye, Benjamin P.; Francesconi, Lynn C.] CUNY Hunter Coll, Dept Chem, New York, NY 10021 USA. [Antonio, Mark R.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. EM jjing@hunter.cuny.edu; bburtonp@hunter.cuny.edu; lfrances@hunter.cuny.edu; mantonio@anl.gov NR 0 TC 0 Z9 0 U1 1 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 1089-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106282 ER PT J AU Johnson, AS Schouten, ML Szajna-Fuller, E Bakac, A AF Johnson, Alicia S. Schouten, Margaret L. Szajna-Fuller, Ewa Bakac, Andreja TI CHED 1184-Kinetic and mechanistic studies of the reaction of nitrous acid with selected organic substrates SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Johnson, Alicia S.; Schouten, Margaret L.; Szajna-Fuller, Ewa] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Bakac, Andreja] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM bakac@ameslab.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 1184-CHED PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775101878 ER PT J AU Johnson, DK Elander, R AF Johnson, David K. Elander, Richard TI FUEL 178-Understanding pretreatment processes SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Johnson, David K.] NREL, Chem & Biosci Ctr, Golden, CO 80401 USA. [Elander, Richard] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. EM david_johnson@nrel.gov; Richard_Elander@nrel.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 178-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104740 ER PT J AU Johnson, JK Rankin, RB Hao, SQ Sholl, DS AF Johnson, J. Karl Rankin, Rees B. Hao, Shiqiang Sholl, David S. TI FUEL 86-Density functional theory study of adsorption and dissociation of contaminants on zinc orthotitanate SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Johnson, J. Karl; Hao, Shiqiang] Univ Pittsburgh, Dept Chem Engn, Pittsburgh, PA 15261 USA. [Johnson, J. Karl] Natl Energy Technol Lab, Pittsburgh, PA 15261 USA. [Rankin, Rees B.] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. [Sholl, David S.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. EM karlj@pitt.edu; shiqiang@andrew.cmu.edu; david.sholl@chbe.gatech.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 86-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104672 ER PT J AU Juan, M Plain, J Bachelot, R Royer, P Wiederrecht, GP Gray, SK AF Juan, Mathieu Plain, Jerome Bachelot, Renaud Royer, Pascal Wiederrecht, Gary P. Gray, Stephen K. TI PHYS 128-Unified theory for photoinduced molecular movement in azobenzene containing polymer films SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc, Div Cellulose & Renewble Mat C1 [Juan, Mathieu; Plain, Jerome; Bachelot, Renaud; Royer, Pascal] Univ Technol Troyes, LNIO Charles Delaunay, LNIO, F-10010 Troyes, France. [Wiederrecht, Gary P.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Gray, Stephen K.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. EM mathieu.juan@utt.fr; jerome.plain@utt.fr; wiederrecht@anl.gov; gray@tcg.anl.gov RI Plain, Jerome/A-2888-2009; Bachelot, Renaud/M-6888-2015 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 128-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109732 ER PT J AU Jun, YS Waychunas, GA AF Jun, Young-Shin Waychunas, Glenn A. TI GEOC 39-Molecular-investigation of silicate passivation of iron oxide surfaces SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Jun, Young-Shin] Washington Univ, St Louis, MO 63130 USA. [Waychunas, Glenn A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM ysjun@seas.wustl.edu; gawaychunas@lbl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 39-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105099 ER PT J AU Jun, YS Waychunas, GA Lee, B AF Jun, Young-Shin Waychunas, Glenn A. Lee, Byeongdu TI COLL 270-Kinetics of early nucleation and growth of iron oxide nanoparticles at mineral-water interfaces SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Jun, Young-Shin] Washington Univ, St Louis, MO 63130 USA. [Waychunas, Glenn A.] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Lee, Byeongdu] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. EM ysjun@seas.wustl.edu; gawaychunas@lbl.gov; blee@aps.anl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 270-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103643 ER PT J AU Kanapathipillai, M Mallapragada, SK Thiyagarajan, P AF Kanapathipillai, Mathumai Mallapragada, Surya K. Thiyagarajan, Pappannan TI PMSE 183-Peptide-conjugated block copolymers for templated inorganic materials synthesis by self-assembly SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Kanapathipillai, Mathumai; Mallapragada, Surya K.] Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA. [Thiyagarajan, Pappannan] Argonne Natl Lab, Intense Pulsed Neutron Source, Argonne, IL 60439 USA. EM suryakm@iastate.edu; thiyag@anl.gov RI Mallapragada, Surya/F-9375-2012 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 183-PMSE PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109638 ER PT J AU Kanatzidis, MG AF Kanatzidis, Mercouri G. TI PHYS 188-Growing nanocrystals inside crystals for thermodynamically stable advanced thermoelectrics SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Kanatzidis, Mercouri G.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Kanatzidis, Mercouri G.] Argonne Natl Lab, Evanston, IL 60208 USA. EM m-kanatzidis@northwestern.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 188-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108682 ER PT J AU Kanatzidis, MG Bag, S AF Kanatzidis, Mercouri G. Bag, Santanu TI INOR 557-Chalcogels: Aerogels with emerging unique properties SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Kanatzidis, Mercouri G.; Bag, Santanu] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Kanatzidis, Mercouri G.] Argonne Natl Lab, Evanston, IL 60208 USA. EM m-kanatzidis@northwestern.edu; s-bag@northwestern.edu NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 557-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105447 ER PT J AU Katz, LE Criscenti, LJ Chen, CC Larentzos, JP AF Katz, Lynn E. Criscenti, Louise J. Chen, Chia-chen Larentzos, James P. TI GEOC 54-Temperature effects on adsorbed alkaline-earth-metal coordination structure on gibbsite SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Katz, Lynn E.; Chen, Chia-chen] Univ Texas Austin, Dept Civil Architectural & Environm Engn, Austin, TX 78712 USA. [Criscenti, Louise J.; Larentzos, James P.] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. EM lynnkatz@mail.utexas.edu; ljcrisc@sandia.gov; chiacc@mail.utexas.edu; jplaren@sandia.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 54-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105214 ER PT J AU Kelley, MJ Thomas, JE AF Kelley, Michael J. Thomas, Joan E. TI GEOC 93-Molecular architecture of organic acids and lipids on kaolinite and alumina SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 Coll William & Mary, Dept Appl Sci, Newport News, VA 23606 USA. Coll William & Mary, Free Electron Laser Dept, Newport News, VA 23606 USA. Thomas Jefferson Natl Accelerator Facil, Appl Res Ctr, Newport News, VA 23606 USA. EM mkelley@jlab.org; thomasj@jlab.org NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 93-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105095 ER PT J AU Kelley, MJ Corcoran, SG Reece, CE Tian, H AF Kelley, Michael J. Corcoran, Sean G. Reece, Charles E. Tian, Hui TI COLL 441-Electrochemical nanosmoothing for niobium superconducting accelerator cavity interior surfaces SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Kelley, Michael J.] Coll William & Mary, Dept Appl Sci, Newport News, VA 23606 USA. [Kelley, Michael J.] Appl Res Ctr, Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Kelley, Michael J.] Coll William & Mary, Free Electron Laser Dept, Newport News, VA 23606 USA. [Corcoran, Sean G.] Virginia Tech, Dept Mat Sci & Engn, Blacksburg, VA USA. [Reece, Charles E.] Thomas Jefferson Natl Accelerator Facil, Jefferson Lab, SRF Inst, Newport News, VA USA. [Tian, Hui] Coll William & Mary, Dept Appl Sci, Williamsburg, VA 23187 USA. EM mkelley@jlab.org; sgc@vt.edu; reece@jlab.org; huit02@jlab.org NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 441-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103680 ER PT J AU Kemp, DD Gordon, MS AF Kemp, Daniel D. Gordon, Mark S. TI PHYS 676-Aqueous solvation of the nitrate anion SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Kemp, Daniel D.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Gordon, Mark S.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM dan@si.msg.chem.iastate.edu; mark@si.msg.chem.iastate.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 676-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109494 ER PT J AU Kemp, DD Gordon, MS AF Kemp, Daniel D. Gordon, Mark S. TI PHYS 606-Development of an open shell effective fragment potential SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Kemp, Daniel D.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Gordon, Mark S.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM dan@si.msg.chem.iastate.edu; mark@si.msg.chem.iastate.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 606-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109469 ER PT J AU Kerfeld, CA Cai, F Yeates, TO Cannon, GC Heinhorst, S AF Kerfeld, Cheryl A. Cai, Fei Yeates, Todd O. Cannon, Gordon C. Heinhorst, Sabine TI FUEL 181-Bacterial microcompartments and carbon chemistry: Structure of the carboxysome and its function in CO2 capture SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Kerfeld, Cheryl A.] US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA. [Kerfeld, Cheryl A.] Univ Calif Berkeley, Walnut Creek, CA 94598 USA. [Cai, Fei; Cannon, Gordon C.; Heinhorst, Sabine] Univ So Mississippi, Dept Biochem, Hattiesburg, MS 39406 USA. [Yeates, Todd O.] Univ Calif Los Angeles, Inst Mol Biol, Los Angeles, CA 90024 USA. EM ckerfeld@lbl.gov NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 181-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104702 ER PT J AU Kessinger, GF Dworzak, WR Grigsby, C AF Kessinger, Glen F. Dworzak, Wolfgang R. Grigsby, Charles TI NUCL 125-AFCF feed conditioning flowsheet development SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Kessinger, Glen F.] Savannah River Natl Lab, Actinide Technol Sect, Aiken, SC 29808 USA. [Dworzak, Wolfgang R.] Los Alamos Natl Lab, Actinide & Fuel Cycle Technol NMT 11, Los Alamos, NM 87545 USA. [Grigsby, Charles] Washington Grp Int, Denver, CO 80237 USA. EM glen.kessinger@srnl.doe.gov; Charles.Grigsby@wgint.com NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 125-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107471 ER PT J AU Kibanova, D Trejo, M Destaillats, H Cervini-Silva, J AF Kibanova, Daria Trejo, Martin Destaillats, Hugo Cervini-Silva, Javiera TI GEOC 204-Synthesis of clay-TiO2 nanocomposites with photocatalytic activity for the degradation of air pollutants SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Kibanova, Daria; Trejo, Martin] Univ Nacl Autonoma Mexico, Fac Quim, Mexico City 04510, DF, Mexico. [Cervini-Silva, Javiera] Univ Nacl Autonoma Mexico, Inst Geog, Mexico City 04510, DF, Mexico. [Destaillats, Hugo] Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM whisper.lu@gmail.com; jcervini@igg.unam.mx RI Destaillats, Hugo/B-7936-2013 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 204-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105219 ER PT J AU Kidder, M Buchanan, AC AF Kidder, Michelle Buchanan, A. C., III TI ORGN 93-Local environment effects on the pyrolysis of a tethered, nanoconfined lignin model compound SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Kidder, Michelle; Buchanan, A. C., III] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM kidderm@ornl.gov; buchananac@ornl.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 93-ORGN PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107661 ER PT J AU Kim, YK White, JM Kay, BD Dohnalek, Z AF Kim, Yu Kwon White, J. M. Kay, Bruce D. Dohnalek, Zdenek TI COLL 153-Catalytic oxidation of alcohols over monodisperse (WO3)(3) clusters on TiO2(110) model catalyst SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc, Div Cellulose & Renewble Mat C1 [Kim, Yu Kwon] Univ Texas Austin, Dept Chem, Austin, TX 78712 USA. [White, J. M.] Univ Texas Austin, Dept Chem & Biochem, Ctr Mat Chem, Austin, TX 78712 USA. [Kay, Bruce D.; Dohnalek, Zdenek] Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99352 USA. [Kay, Bruce D.; Dohnalek, Zdenek] Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. EM yukwonkim@gmail.com; jmwhite@mail.utexas.edu; bruce.kay@pnl.gov; zdenek.dohnalek@pnl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 153-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103546 ER PT J AU King, DL King, DA Huang, XW Strohm, JJ Whyatt, G AF King, David L. King, Dale A. Huang, Xiwen Strohm, James J. Whyatt, Greg TI PETR 128-Novel approach for the employment of internal reforming in a hydrocarbon fuel-based solid oxide fuel cell APU SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [King, David L.; King, Dale A.; Huang, Xiwen; Strohm, James J.; Whyatt, Greg] Pacific NW Natl Lab, Richland, WA 99352 USA. EM david.king@pnl.gov; xiwen.huang@pnl.gov; james.strohm@pnl.gov; greg.whyatt@pnl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 128-PETR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108487 ER PT J AU King, WD Wilmarth, WR Hobbs, DT Edwards, TB AF King, William D. Wilmarth, William R. Hobbs, D. T. Edwards, Thomas B. TI Uranium and plutonium solublity in caustic tank waste supernates SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [King, William D.; Wilmarth, William R.; Hobbs, D. T.] Washington Savannah River Co, Savannah River Natl Lab, Aiken, SC 29808 USA. [Edwards, Thomas B.] Westinghouse Savannah River Co, Savannah River Natl Lab, Aiken, SC 29808 USA. EM william02.king@srs.gov; billwilmarth@srnl.doe.gov; david.hobbs@srnl.doe.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 106-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107446 ER PT J AU Klimov, VI AF Klimov, Victor I. TI PHYS 318-New insights into electronic structures of semiconductor nanocrystals through single-particle and ultrafast spectroscopies SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. EM klimov@lanl.gov NR 0 TC 0 Z9 0 U1 1 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 318-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109393 ER PT J AU Klimov, VI AF Klimov, Victor I. TI PHYS 54-Single-exciton optical gain using type-II semiconductor nanocrystals SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. EM klimov@lanl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 54-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109370 ER PT J AU Klimov, VI AF Klimov, Victor I. TI COLL 331-Carrier multiplication in semiconductor nanocrystals: Mechanism and competing energy-loss processes SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. EM klimov@lanl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 331-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103573 ER PT J AU Klippenstein, SJ Georgievskii, Y Sabbah, H Biennier, L Sims, IR Smith, IWM AF Klippenstein, Stephen J. Georgievskii, Yuri Sabbah, Hassan Biennier, Ludovic Sims, Ian R. Smith, Ian W. M. TI COMP 217-Two transition state model for radical-molecule reactions SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Klippenstein, Stephen J.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Georgievskii, Yuri] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Sabbah, Hassan; Biennier, Ludovic; Sims, Ian R.] Univ Rennes 1, CNRS, Equipe Astrochim Expt, PALMS UMR 6627, F-35042 Rennes, France. [Smith, Ian W. M.] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England. EM sjk@anl.gov; ygeorgi@sandia.gov; ian.sims@univ-rennes1.fr; i.w.m.smith@bham.ac.uk RI Sims, Ian/F-8989-2014; Biennier, Ludovic/O-1618-2014 OI Sims, Ian/0000-0001-7870-1585; NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 217-COMP PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104090 ER PT J AU Kohli, V Zhang, Z Park, C Fenter, P Rosenqvist, J Wesolowski, DJ AF Kohli, Vaibhav Zhang, Zhan Park, Changyong Fenter, Paul Rosenqvist, Jorgen Wesolowski, David J. TI COLL 355-Adsorption of monovalent and divalent cations at the TiO2 (110) - aqueous interface studied using resonant anomalous X-ray reflectivity SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc, Div Cellulose & Renewble Mat C1 [Kohli, Vaibhav] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Zhang, Zhan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Park, Changyong; Fenter, Paul] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Rosenqvist, Jorgen; Wesolowski, David J.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM v-kohli@northwestern.edu; cypark@anl.gov; fenter@anl.gov RI Park, Changyong/A-8544-2008; Zhang, Zhan/A-9830-2008 OI Park, Changyong/0000-0002-3363-5788; Zhang, Zhan/0000-0002-7618-6134 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 355-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103632 ER PT J AU Kozimor, SA Batista, ER Boland, KS Boncella, JM Burns, CJ Clark, DL Conradson, SD Gdula, RL Graves, CR Hay, PJ Kiplinger, JL Spencer, LP Martin, LR Wilkerson, MP Wolfsberg, LP Yang, P AF Kozimor, Stosh A. Batista, E. R. Boland, Kevin S. Boncella, James M. Burns, Carol J. Clark, D. L. Conradson, Steven D. Gdula, Robyn L. Graves, C. R. Hay, P. J. Kiplinger, Jaqueline L. Spencer, Liam P. Martin, Leigh R. Wilkerson, M. P. Wolfsberg, Laura P. Yang, P. TI NUCL 102-Utilizing oxygen k-edge X-ray absorption spectroscopy to compare covalency for d- and f-block metals SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Kozimor, Stosh A.] Los Alamos Natl Lab, Seaborg Inst, ADSMS, Los Alamos, NM 87545 USA. [Boland, Kevin S.; Burns, Carol J.; Wolfsberg, Laura P.; Yang, P.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Boncella, James M.; Gdula, Robyn L.; Spencer, Liam P.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Martin, Leigh R.] Washington State Univ, Dept Chem, Pullman, WA 99164 USA. EM stosh@lanl.gov; boncella@lanl.gov; cjb@lanl.gov; conradson@lanl.gov; pjhay@lanl.gov; lrmartin@wsu.edu NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 102-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107455 ER PT J AU Kozimor, SA Batista, ER Boland, KS Burns, CJ Christensen, CN Clark, DL Conradson, SD Hay, PJ Martin, RL Schwarz, DE Wilkerson, MP Yang, P AF Kozimor, Stosh A. Batista, Enrique R. Boland, Kevin S. Burns, Carol J. Christensen, Christen N. Clark, David L. Conradson, Steven D. Hay, P. Jeffrey Martin, Richard L. Schwarz, Daniel E. Wilkerson, Maniane P. Yang, Ping TI INOR 1071-Covalency trends in metallocene dichlorides (M = Ti, Zr, Hf, Th, U). A chlorine K-edge XAS study SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Kozimor, Stosh A.; Christensen, Christen N.; Clark, David L.; Schwarz, Daniel E.] Los Alamos Natl Lab, ADSMS, Seaborg Inst, Los Alamos, NM 87545 USA. [Batista, Enrique R.; Hay, P. Jeffrey; Martin, Richard L.; Yang, Ping] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Boland, Kevin S.; Wilkerson, Maniane P.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. EM stosh@lanl.gov; erb@lanl.gov; cjb@lanl.gov; cnchristensen@gmail.com; conradson@lanl.gov; pjhay@lanl.gov; rlmartin@lanl.gov; mpw@lanl.gov; pyang@lanl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 1071-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106169 ER PT J AU Krauss, TD Carlson, LJ Huang, LB AF Krauss, Todd D. Carlson, Lisa J. Huang, Libai TI COLL 53-Photophysics of individual single-walled carbon nanotubes SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Krauss, Todd D.; Carlson, Lisa J.] Univ Rochester, Dept Chem, Rochester, NY 14627 USA. [Huang, Libai] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. EM krauss@chem.rochester.edu; lcarlso@mail.rochester.edu; huang-stevenson@anl.gov NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 53-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103390 ER PT J AU Kugler, EL Gardner, TH Campos, A Hissam, J Spivey, JJ Roy, AD AF Kugler, Edwin L. Gardner, Todd H. Campos, Andrew Hissam, Jason Spivey, James J. Roy, Amitava D. TI FUEL 216-In situ TPR XANES study of the partial oxidation of methane using a Ni-substituted hexaaluminate catalyst SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Kugler, Edwin L.; Hissam, Jason] W Virginia Univ, Dept Chem Engn, Morgantown, WV 26506 USA. [Gardner, Todd H.] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Campos, Andrew; Spivey, James J.] Louisiana State Univ, Dept Chem Engn, Baton Rouge, LA 70803 USA. [Roy, Amitava D.] Louisiana State Univ, Ctr Adv Microstruct & Devices, Baton Rouge, LA 70803 USA. EM edwin.kugler@mail.wvu.edu; todd.gardner@netl.doe.gov; acampo2@lsu.edu; jhissam@mix.wvu.edu; jjspivey@lsu.edu; reroy@lsu.edu NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 216-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104818 ER PT J AU Kukkadapu, RK ElBishlawi, H Jaffe, PR Komlos, J Long, PE Moon, HS Williams, KH AF Kukkadapu, Ravi K. ElBishlawi, Hagar Jaffe, Peter R. Komlos, John Long, Phillip E. Moon, Hee Sun Williams, Kenneth Hurst TI GEOC 64-Geochemical dynamics in a column biostimulation experiment during the transition from iron to sulfate reduction SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Kukkadapu, Ravi K.; Long, Phillip E.] Pacific NW Natl Lab, Richland, WA 99352 USA. [ElBishlawi, Hagar; Jaffe, Peter R.; Komlos, John; Moon, Hee Sun] Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA. [Williams, Kenneth Hurst] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM ravi.kukkadapu@pnl.gov; jaffe@pninceton.edu; jkomlos@princeton.edu; hmoon@princeton.edu; khwilliams@lbl.gov RI Williams, Kenneth/O-5181-2014; Long, Philip/F-5728-2013 OI Williams, Kenneth/0000-0002-3568-1155; Long, Philip/0000-0003-4152-5682 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 64-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105176 ER PT J AU Lanson, B Marcus, MM Fakra, SC Panfili, F Geoffroy, N Manceau, A AF Lanson, Bruno Marcus, Matthew M. Fakra, Sirine C. Panfili, Frederic Geoffroy, Nicolas Manceau, Alain TI GEOC 222-Formation of Zn-Ca phyllomanganate nanoparticles in grass roots SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Lanson, Bruno; Geoffroy, Nicolas; Manceau, Alain] Univ Grenoble, CNRS, LGIT, Mineral & Environm Grp, F-38041 Grenoble 9, France. [Marcus, Matthew M.; Fakra, Sirine C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. EM bruno.lanson@obs.ujf-grenoble.fr; mamarcus@lbl.gov; Alain.manceau@obs.ujf-grenoble.fr NR 0 TC 0 Z9 0 U1 0 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 222-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105222 ER PT J AU Lascola, R Cooper, GA Sharma, V Sanders, MA Davis, WE AF Lascola, Robert Cooper, Gary A. Sharma, Vinay Sanders, Mark A. Davis, Willard E. TI NUCL 104-Actinide accountability and process control measurements using absorption spectroscopy and chemometrics SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Lascola, Robert; Sanders, Mark A.] Washington Savannah River Co, Savannah River Natl Lab, Aiken, SC 29808 USA. [Cooper, Gary A.] Dixie State Coll Utah, Dept Phys Sci, St George, UT 84770 USA. [Sharma, Vinay; Davis, Willard E.] Washington Savannah River Co, Analyt Labs, Aiken, SC 29808 USA. EM robert.lascola@srnl.doe.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 104-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107384 ER PT J AU Laskin, A AF Laskin, Alexander TI COLL 318-Chemistry of individual atmospheric particles SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Laskin, Alexander] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. EM Alexander.Laskin@pnl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 318-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103456 ER PT J AU Latta, DE O'Loughlin, EJ Kemner, KM Boyanov, MI Scherer, MM AF Latta, Drew E. O'Loughlin, Edward J. Kemner, Kenneth M. Boyanov, Maxim I. Scherer, Michelle M. TI GEOC 181-Reaction of U(VI) with anionic clay minerals SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Latta, Drew E.; Scherer, Michelle M.] Univ Iowa, Seamans Ctr 4015, Iowa City, IA 52242 USA. [O'Loughlin, Edward J.; Kemner, Kenneth M.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Boyanov, Maxim I.] Univ Sofia, BU-1126 Sofia, Bulgaria. EM dlatta@engineering.uiowa.edu; oloughlin@anl.gov; kemner@anl.gov; mboyanov@nd.edu; michelle-scherer@uiowa.edu NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 181-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105058 ER PT J AU Lawler, KV Head-Gordon, M AF Lawler, Keith V., Jr. Head-Gordon, Martin TI PHYS 123-Static correlation in open-shell systems by coupled cluster generalized valence bond methods SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM mhg@cchem.berkeley.edu NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 123-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108667 ER PT J AU Lee, B Seifert, S Winans, RE Lee, S Lei, Y Vajda, S AF Lee, Byeongdu Seifert, Soenke Winans, Randall E. Lee, Sungsik Lei, Yu Vajda, Stefan TI FUEL 169-Recent advances of GISAXS at APS SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Lee, Byeongdu; Seifert, Soenke; Winans, Randall E.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Lee, Sungsik; Lei, Yu; Vajda, Stefan] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Lei, Yu] Univ Illinois, Argonne, IL 60439 USA. [Vajda, Stefan] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. EM blee@aps.anl.gov; rewinans@anl.gov; vajda@anl.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 169-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104770 ER PT J AU Lee, B Lo, CT Seifert, S Winans, RE Thiyagarajan, P Pol, V Bohnsack, DA AF Lee, Byeongdu Lo, Chieh-Tsung Seifert, Soenke Winans, Randall E. Thiyagarajan, P. Pol, Villas Bohnsack, David A. TI PMSE 381-Application of X-ray and neutron scattering techniques for the characterization of polymer/nanoparticle composites SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA C1 [Lee, Byeongdu; Winans, Randall E.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Lo, Chieh-Tsung; Thiyagarajan, P.; Pol, Villas] Argonne Natl Lab, Div Intense Pulsed Neutron Source, Argonne, IL 60439 USA. [Seifert, Soenke; Bohnsack, David A.] Argonne Natl Lab, Adv Photon Source Div, Argonne, IL 60439 USA. EM blee@aps.anl.gov; rewinans@anl.gov; thiyaga@anl.gov; pol@anl.gov; dbohnsack@anl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 381-PMSE PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519XJ UT WOS:000271802800034 ER PT J AU Lee, JH Orfanou, K Driva, P Iatrou, H Hadjichristidis, N Lohse, DJ AF Lee, Jung Hun Orfanou, Katerina Driva, Paraskevi Iatrou, Hermis Hadjichristidis, Nikos Lohse, David J. TI POLY 216-Rheological behavior of dendritic star polymers SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA C1 [Lee, Jung Hun; Lohse, David J.] ExxonMobil Res & Engn Co, Annandale, NJ 08801 USA. [Orfanou, Katerina; Iatrou, Hermis; Hadjichristidis, Nikos] Univ Athens, Dept Chem, GR-15771 Athens, Greece. [Driva, Paraskevi] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. NR 0 TC 0 Z9 0 U1 1 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 216-POLY PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519XJ UT WOS:000271802800310 ER PT J AU Lee, SS Nagy, KL Park, C Fenter, P AF Lee, Sang Soo Nagy, Kathryn L. Park, Changyong Fenter, Paul TI COLL 73-Distribution of heavy metals at the muscovite-fulvic acid solution interface SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Lee, Sang Soo; Nagy, Kathryn L.] Univ Illinois, Dept Earth & Environm Sci, Chicago, IL 60607 USA. [Park, Changyong; Fenter, Paul] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. EM slee28@uic.edu; klnagy@uic.edu; cypark@anl.gov; fenter@anl.gov RI Lee, Sang Soo/B-9046-2012; Park, Changyong/A-8544-2008 OI Park, Changyong/0000-0002-3363-5788 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 73-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103556 ER PT J AU Leung, K Nielsen, IMB Criscenti, LJ AF Leung, Kevin Nielsen, Ida M. B. Criscenti, Louise J. TI GEOC 73-Ab initio molecular dynamics calculation of the deprotonation free energy at the silica-water interface SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Criscenti, Louise J.] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. EM kleung@sandia.gov; ibniels@ca.sandia.gov; ljcrisc@sandia.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 73-GEOC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105045 ER PT J AU Li, GS Hu, DH Xia, GG White, JM Zhang, C AF Li, Guosheng Hu, Dehong Xia, Guanguang White, J. M. Zhang, Conrad TI CATL 33-High throughput Operando reactor combining FT-IR imaging technique and Raman spectroscopy: Catalyst screening and catalyst characterization SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Li, Guosheng; White, J. M.] Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. [Hu, Dehong] Pacific NW Natl Lab, Fundamental Sci Div, Richland, WA 99352 USA. [Xia, Guanguang] Battelle Mem Inst, Pacific NW Div, Richland, WA 99352 USA. [White, J. M.] Univ Texas, Pacific NW Natl Lab, Richland, WA 99352 USA. EM guosheng.li@pnl.gov; Guan-Guang.Xia@pnl.gov; jm.white@pnl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 33-CATL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775101129 ER PT J AU Li, SC White, JM Zhang, ZR Kay, BD Dohnalek, Z AF Li, Shao-Chun White, J. M. Zhang, Zhenrong Kay, Bruce D. Dohnalek, Zdenek TI COLL 183-Intrinsic diffusion of hydrogen on TiO2(110) SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc, Div Cellulose & Renewble Mat C1 [Li, Shao-Chun] Univ Texas Austin, Pacific NW Natl Lab, Dept Chem & Biochem, Richland, WA 99352 USA. [White, J. M.] Univ Texas Austin, Dept Chem & Biochem, Ctr Mat Chem, Austin, TX 78712 USA. [Zhang, Zhenrong; Kay, Bruce D.] Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99352 USA. [Zhang, Zhenrong; Kay, Bruce D.] Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. EM shaochun.li@pnl.gov; jmwhite@mail.utexas.edu; bruce.kay@pnl.gov; zdenek.dohnalek@pnl.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 183-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103628 ER PT J AU Lin, SSY Kim, DH Ha, S AF Lin, Sean Shih-Yi Kim, Do Heui Ha, Su TI PETR 121-Hydrogen production from ethanol steam reforming (ESR) on supported cobalt catalysts: Effect of support and prereduction treatment SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Lin, Sean Shih-Yi; Ha, Su] Washington State Univ, Dept Chem Engn, Pullman, WA 99164 USA. [Kim, Do Heui] Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. EM shihyilin@wsu.edu; do.kim@pnl.gov; suha@wsu.edu RI Lin, Sean/F-3988-2010 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 121-PETR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108559 ER PT J AU Lin, VSY AF Lin, Victor S-Y. TI FUEL 91-Multifunctional mesoporous nanoparticles for environmentally friendly catalysis and bioenergy applications SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Lin, Victor S-Y.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Lin, Victor S-Y.] Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. EM vsylin@iastate.edu NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 91-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104594 ER PT J AU Lister, CJ AF Lister, C. J. TI An odyssey along the N=Z line to Sn-100 and beyond SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc, Div Cellulose & Renewble Mat C1 [Lister, C. J.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM Lister@anl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 85-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107441 ER PT J AU Liu, GK Cahill, C Frisch, M Huang, J AF Liu, Guokui Cahill, Christopher Frisch, Mark Huang, Jin TI NUCL 47-Charge transfer and vibronic transitions of uranyl in polymeric complexes SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Liu, Guokui] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Cahill, Christopher; Frisch, Mark] George Washington Univ, Dept Chem, Washington, DC 20052 USA. [Huang, Jin] Univ Wisconsin, Dept Phys, Eau Claire, WI 54702 USA. EM gkliu@anl.gov; frisch@gwu.edu NR 2 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 47-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107394 ER PT J AU Liu, Y Chidambaram, D Malal, R Cohn, D Rafailovich, M AF Liu, Ying Chidambaram, Dev Malal, Ram Cohn, Daniel Rafailovich, Miriam TI POLY 648-Bioactive polymer fibers for environmental remediation SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA C1 [Liu, Ying; Rafailovich, Miriam] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. [Chidambaram, Dev] Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. [Malal, Ram; Cohn, Daniel] Hebrew Univ Jerusalem, Casali Inst Appl Chem, IL-91904 Jeruslem, Israel. EM dc@bnl.gov; miriam.rafailovich@sunysb.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 648-POLY PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519XJ UT WOS:000271802800696 ER PT J AU Locke, DR Chupas, PJ Chapman, KW Pugmire, RJ Winans, RE AF Locke, Darren R. Chupas, Peter J. Chapman, Karena W. Pugmire, Ronald J. Winans, Randall E. TI FUEL 170-Structural characterization of Green River oil-shale at high-pressure using pair distribution function analysis and small angle X-ray scattering SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Locke, Darren R.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Chupas, Peter J.; Chapman, Karena W.; Winans, Randall E.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Pugmire, Ronald J.] Univ Utah, Dept Chem Engn & Chem, Salt Lake City, UT 84112 USA. EM dlocke@aps.anl.gov; chupas@anl.gov; chapmank@aps.anl.gov; pug@utah.edu; rewinans@anl.gov NR 0 TC 0 Z9 0 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 170-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104722 ER PT J AU Loomis, RA Glennon, JJ Bussian, DA Htoon, H Klimov, VI Tang, R Buhro, WE AF Loomis, Richard A. Glennon, John J. Bussian, David A. Htoon, Han Klimov, Victor I. Tang, Rui Buhro, William E. TI Energetic relaxation of excitons prepared within single CdSe quantum wires SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Loomis, Richard A.; Glennon, John J.; Tang, Rui; Buhro, William E.] Washington Univ, Dept Chem, St Louis, MO 63130 USA. [Bussian, David A.; Htoon, Han; Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. EM loomis@wustl.edu; jjglenno@artsci.wustl.edu; dabus@lanl.gov; htoon@lanl.gov; klimov@lanl.gov; rtang@artsci.wustl.edu; buhro@wustl.edu RI Tang, Rui/B-6556-2013 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 470-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109550 ER PT J AU Lumetta, GJ Levitskaia, TG Sinkov, SI AF Lumetta, Gregg J. Levitskaia, Tatiana G. Sinkov, Serguei I. TI NUCL 95-Redox behavior and sorption of actinide ions on an extraction chromatography resin containing Klaui ligands SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Lumetta, Gregg J.; Levitskaia, Tatiana G.; Sinkov, Serguei I.] Pacific NW Natl Lab, Radiochem Sci & Engn Grp, Richland, WA 99352 USA. EM gregg.lumetta@pnl.gov; Serguei.Sinkov@pnl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 95-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107357 ER PT J AU Lumetta, GJ AF Lumetta, Gregg J. TI I&EC 96-Mechanism of phosphate removal from Hanford tank sludges by caustic leaching SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Lumetta, Gregg J.] Pacific NW Natl Lab, Radiochem Sci & Engn Grp, Richland, WA 99352 USA. EM gregg.lumetta@pnl.org NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 96-IEC PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775105243 ER PT J AU Luo, JH Zhao, YS Liu, Y Xu, HW Brown, CM Daemen, LL Currier, RP AF Luo, Junhua Zhao, Yusheng Liu, Yun Xu, Hongwu Brown, Craig M. Daemen, Luke L. Currier, Robert P. TI INOR 1068-Neutron diffraction study of hydrogen adsorption in porous metal-organic frameworks SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Luo, Junhua; Zhao, Yusheng; Daemen, Luke L.] Los Alamos Natl Lab, Los Alamos Neutron Sci Ctr, Los Alamos, NM 87545 USA. [Liu, Yun] NIST Ctr Neutron Res, Ctr Neutron Res, Gaithersburg, MD USA. [Xu, Hongwu] Los Alamos Natl Lab, Div Neutron Sci, Los Alamos, NM 87545 USA. [Brown, Craig M.] NIST, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Currier, Robert P.] Los Alamos Natl Lab, Div Chem, C ADI, Los Alamos, NM 87545 USA. EM jhluo@lanl.gov; yzhao@lanl.gov; hxu@lanl.gov; craig.brown@nist.gov; currier@lanl.gov RI Liu, Yun/F-6516-2012; Lujan Center, LANL/G-4896-2012; Luo, Junhua/G-8928-2011 OI Liu, Yun/0000-0002-0944-3153; Luo, Junhua/0000-0002-3179-7652 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 1068-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106550 ER PT J AU Ma, Z Yin, HF Overbury, SH Dai, S AF Ma, Zhen Yin, Hongfeng Overbury, Steven H. Dai, Sheng TI PETR 100-Gold nanoparticles on metal phosphates as chemical catalysts SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Ma, Zhen; Yin, Hongfeng; Overbury, Steven H.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM zmu@ornl.gov RI Overbury, Steven/C-5108-2016; Dai, Sheng/K-8411-2015 OI Overbury, Steven/0000-0002-5137-3961; Dai, Sheng/0000-0002-8046-3931 NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 100-PETR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775108537 ER PT J AU Ma, Z Yin, HF Overbury, SH Dai, S AF Ma, Zhen Yin, Hongfeng Overbury, Steven H. Dai, Sheng TI FUEL 60-Novel nanogold catalysts for CO oxidation and water-gas shift SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Ma, Zhen; Yin, Hongfeng; Overbury, Steven H.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM zmu@ornl.gov RI Overbury, Steven/C-5108-2016; Dai, Sheng/K-8411-2015 OI Overbury, Steven/0000-0002-5137-3961; Dai, Sheng/0000-0002-8046-3931 NR 0 TC 0 Z9 0 U1 2 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 60-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104659 ER PT J AU Mackey, JL Loewen, JD Steelman, KL McDonald, J Veth, P Guilderson, TP AF Mackey, Jeremy L. Loewen, Josh D. Steelman, Karen L. McDonald, Josephine Veth, Peter Guilderson, Thomas P. TI CHED 257-Plasma oxidation and accelerator mass spectrometry of charcoal and inorganic Australian rock paintings SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Mackey, Jeremy L.; Loewen, Josh D.; Steelman, Karen L.] Univ Cent Arkansas, Dept Chem, Conway, AR 72035 USA. [McDonald, Josephine; Veth, Peter] Australian Natl Univ, Ctr Cross Cultural Studies, Canberra, ACT 0200, Australia. [Guilderson, Thomas P.] LLNL, Ctr AMS, Livermore, CA 94551 USA. EM mackey.jeremy@gmail.com; jlgfpr85@sbcglobal.net; ksteel@uca.edu; JMcDonald@jmcdchm.com.au; peter.veth@aiatsis.gov.au; guilderson1@popeye.llnl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 257-CHED PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775102890 ER PT J AU MacMillan, AC Steelman, KL Marley, NA Gaffney, JS Guilderson, TP AF MacMillan, Amanda C. Steelman, Karen L. Marley, Nancy A. Gaffney, Jeffrey S. Guilderson, Thomas P. TI CHED 1124-Radiocarbon measurements of carbonaceous aerosols from Mexico City in 2003 SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [MacMillan, Amanda C.; Steelman, Karen L.] Univ Cent Arkansas, Dept Chem, Conway, AR 72035 USA. [Marley, Nancy A.] Univ Arkansas, Grad Res Inst, Little Rock, AR 72204 USA. [Gaffney, Jeffrey S.] Univ Arkansas, Dept Chem, Little Rock, AR 72204 USA. [Guilderson, Thomas P.] LLNL, Ctr AMS, Livermore, CA 94551 USA. EM future_scientist22@yahoo.com; ksteel@uca.edu; namarley@ualr.edu; jsgaffney@ualr.edu; guilderson1@popeye.llnl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 1124-CHED PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775102231 ER PT J AU Maio, V AF Maio, Vince TI NUCL 132-Monazite waste forms as a potential solution to future nuclear high-level liquid waste challenges SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Maio, Vince] Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM vincent.maio@inl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 132-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107473 ER PT J AU Mandrus, D AF Mandrus, David TI INOR 417-Charge-ordered ferroelectrics SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Mandrus, David] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM mandrusdg@ornl.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 417-INOR PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775106052 ER PT J AU Marda, JR Czernik, SR Dean, AM Evans, R French, RJ Ratcliff, MA AF Marda, Jonathan R. Czernik, Stefan R. Dean, Anthony M. Evans, Robert French, Richard J. Ratcliff, Matthew A. TI FUEL 200-Importance of a noncatalytic step in the distributed reforming of bio-oil for hydrogen production SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Marda, Jonathan R.; Dean, Anthony M.] Colorado Sch Mines, Dept Chem Engn, Golden, CO 80401 USA. [Czernik, Stefan R.; French, Richard J.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. [Ratcliff, Matthew A.] Natl Renewable Energy Lab, Ctr Transportat Technol & Syst, Golden, CO 80401 USA. EM jmarda@mines.edu; stefan_czernik@nrel.gov; amdean@mines.edu; bob_evans@nrel.gov; richard_french@nrel.gov; matthew_ratcliff@nrel.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 200-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104817 ER PT J AU Mardis, KL Sutton, H Tiede, DM AF Mardis, Kristy L. Sutton, Heather Tiede, David M. TI COMP 40-Using wide-angle X-ray scattering and molecular mechanics to explore the conformational ensemble of a hexameric porphyrin macrocycle: Evaluating CHARMM's ability to reproduce large amplitude motions SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Mardis, Kristy L.; Sutton, Heather] Chicago State Univ, Dept Chem & Phys, Chicago, IL 60628 USA. [Tiede, David M.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. EM kmardis@csu.edu; tiede@anl.gov NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 40-COMP PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104072 ER PT J AU Martin, LR Mincher, BJ Schmitt, NC AF Martin, Leigh R. Mincher, Bruce J. Schmitt, Nicholas C. TI Americium oxidation/reduction kinetics with sodium bismuthate oxidant SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Martin, Leigh R.; Mincher, Bruce J.] Idaho Natl Lab, Aqueous Separat & Radiochem Dept, Idaho Falls, ID 83415 USA. [Schmitt, Nicholas C.] Idaho Natl Lab, Dept Chem, Idaho Falls, ID 83415 USA. EM Leigh.Martin@inl.gov; bruce.mincher@inl.gov; nicholas.schmitt@inl.gov RI Martin, Leigh/P-3167-2016; Mincher, Bruce/C-7758-2017 OI Martin, Leigh/0000-0001-7241-7110; NR 0 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 71-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107418 ER PT J AU Matthews, JF Himmel, ME Brady, JW AF Matthews, James F. Himmel, Michael E. Brady, John W. TI CELL 178-Molecular dynamics simulations of cellulose allomorphs SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Matthews, James F.; Brady, John W.] Cornell Univ, Dept Food Sci, Ithaca, NY 14853 USA. [Himmel, Michael E.] Natl Renewable Energy Lab, Golden, CO 80401 USA. EM jfm17@cornell.edu; mike_himmel@nrel.gov; jwb7@cornell.edu NR 0 TC 0 Z9 0 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 178-CELL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775101323 ER PT J AU Matus, MH Grant, DJ Switzer, JR Davis, BL Stephens, FH Dixon, DA AF Matus, Myrna H. Grant, Daniel J. Switzer, Jackson R. Davis, Benjamin L. Stephens, Frances H. Dixon, David A. TI FUEL 54-Computational studies on regeneration of boron-nitrogen compounds for hydrogen fuel cells SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Matus, Myrna H.; Grant, Daniel J.; Switzer, Jackson R.; Dixon, David A.] Univ Alabama, Dept Chem, Tuscaloosa, AL 35487 USA. [Davis, Benjamin L.; Stephens, Frances H.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. EM mhernandezmatus@bama.ua.edu; danieljustingrant@gmail.com; jswitzer31@gmail.com; bldavis@lanl.gov; fhs@lanl.gov; dadixon@bama.ua.edu NR 0 TC 0 Z9 0 U1 1 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 54-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104621 ER PT J AU Mausolf, E Gong, CMS du Mazabrun, JD Poineau, F Ford, DK Jarvinen, G Czerwinski, K AF Mausolf, Edward Gong, Cynthia-May S. du Mazabrun, Julie du Bouchaud Poineau, Frederic Ford, Doris K. Jarvinen, Gordon Czerwinski, Ken TI Elution of technetium from anion exchange resins SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc, Div Cellulose & Renewble Mat C1 [Mausolf, Edward; du Mazabrun, Julie du Bouchaud] Univ Nevada, Radiochem Program, Las Vegas, NV 89154 USA. [Gong, Cynthia-May S.; Poineau, Frederic] Univ Nevada, Harry Reid Ctr Environm Studies, Las Vegas, NV 89154 USA. [Ford, Doris K.; Jarvinen, Gordon] Los Alamos Natl Lab, Div Nucl Mat Technol, Los Alamos, NM 87545 USA. [Jarvinen, Gordon] Los Alamos Natl Lab, Seaborg Inst, Los Alamos, NM 87545 USA. [Czerwinski, Ken] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. [Czerwinski, Ken] Univ Nevada, Harry Reid Ctr, Las Vegas, NV 89154 USA. EM mausolfe@unlv.nevada.edu; gongc@unlv.nevada.edu; fredericpoineau2001@yahoo.fr; gjarvinen@lanl.gov; czerwin2@unl.nevada.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 129-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107419 ER PT J AU Maxwell, RS Chinn, S Herberg, J Giuliani, J AF Maxwell, Robert S. Chinn, Sarah Herberg, Julie Giuliani, Jason TI POLY 583-Enhanced insights into silicone degradation from 1H multiple quantum NMR SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA C1 [Maxwell, Robert S.; Chinn, Sarah; Herberg, Julie; Giuliani, Jason] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM maxwell7@llnl.gov; chinn7@llnl.gov; herberg1@llnl.gov RI Chinn, Sarah/E-1195-2011 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 583-POLY PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519XJ UT WOS:000271802800645 ER PT J AU Mayer, MU Yan, P Squier, TC AF Mayer, M. Uljana Yan, Ping Squier, Thomas C. TI BIOL 98-Protein interaction identification in living cells using targeted photoactivatable crosslinkers SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Mayer, M. Uljana; Yan, Ping; Squier, Thomas C.] Pacific NW Natl Lab, Fundamental Sci Div, Richland, WA 99352 USA. EM Uljana.Mayer@pnl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 98-BIOL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775100749 ER PT J AU Mayer, MU Xiong, YJ Cao, HS Yan, P Squier, TC AF Mayer, M. Uljana Xiong, Yijia Cao, Haishi Yan, Ping Squier, Thomas C. TI BIOL 123-Targeted multiuse affinity probes (MAPs), their properties and application to in vivo and in vitro protein interaction identification SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Mayer, M. Uljana; Xiong, Yijia; Cao, Haishi; Yan, Ping; Squier, Thomas C.] Pacific NW Natl Lab, Fundamental Sci Div, Richland, WA 99352 USA. EM Uljana.Mayer@pnl.gov; Yijia.Xiong@pnl.gov; haishi.cao@pnl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 123-BIOL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775100666 ER PT J AU McCabe, C Zhao, XC Himmel, ME AF McCabe, Clare Zhao, Xiongce Himmel, Michael E. TI ACSAICHE 99087-Using molecular modeling to understand enzymatic cellulose hydrolysis SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [McCabe, Clare] Vanderbilt Univ, Dept Chem Engn, Nashville, TN 37235 USA. [Zhao, Xiongce] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Himmel, Michael E.] Natl Renewable Energy Lab, Golden, CO 80401 USA. EM c.mccabe@vanderbilt.edu; mike_himmel@nrel.gov RI McCabe, Clare/I-8017-2012 OI McCabe, Clare/0000-0002-8552-9135 NR 0 TC 0 Z9 0 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 99087-ACSA PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775100053 ER PT J AU McGehee, MD Mayer, AC Hardin, BE Toney, MF AF McGehee, Michael D. Mayer, Alex C. Hardin, Brian E. Toney, Michael F. TI COLL 91-The importance of P3HT crystallite orientation for charge transport in solar cells SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [McGehee, Michael D.; Mayer, Alex C.; Hardin, Brian E.] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. [Toney, Michael F.] Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. EM mmcgehee@stanford.edu; acmayer@stanford.edu; bhardin@stanford.edu; mftoney@slac.stanford.edu NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 91-COLL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775103522 ER PT J AU McNaught, WB AF McNaught, W. Baird TI NUCL 110-Investigating engineering alternatives for reprocessing spent nuclear fuel SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [McNaught, W. Baird] Battelle Energy Alliance LLC, Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM w.mcnaught@inl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 110-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107345 ER PT J AU Mcrae, RL Lai, B Vogt, S Fahrni, CJ AF McRae, Reagan L. Lai, Barry Vogt, Stefan Fahrni, Christoph J. TI BIOL 126-The elusive role of nuclear copper: Live cell imaging and X-ray fluorescence studies SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [McRae, Reagan L.; Fahrni, Christoph J.] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. [McRae, Reagan L.] Petit Inst Bioengn & Biosci, Atlanta, GA 30332 USA. [Lai, Barry; Vogt, Stefan] Argonne Natl Lab, Argonne, IL 60439 USA. EM gtg994y@mail.gatech.edu; fahrni@chemistry.gatech.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 126-BIOL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775100723 ER PT J AU Meloni, G Selby, TM Goulay, F Leone, SR Osborn, DL Taatjes, CA AF Meloni, Giovanni Selby, Talitha M. Goulay, Fabien Leone, Stephen R. Osborn, David L. Taatjes, Craig A. TI PHYS 609-General rule for the ionization behavior of alkyl and 1-alkenylperoxy radicals and the stability of their cations SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Meloni, Giovanni; Selby, Talitha M.; Osborn, David L.; Taatjes, Craig A.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Goulay, Fabien; Leone, Stephen R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Chem, Berkeley, CA 94720 USA. [Goulay, Fabien; Leone, Stephen R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Phys, Berkeley, CA 94720 USA. EM gmeloni@sandia.gov; tselby@sandia.gov; srl@berkeley.edu; dlosbor@sandia.gov; cataatj@ca.sandia.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 609-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109464 ER PT J AU Meyer, KA Shuford, KL Whitten, WB Shaw, RW AF Meyer, Kent A. Shuford, Kevin L. Whitten, William B. Shaw, Robert W. TI PHYS 496-Nanoscale Raman imaging using a dual atomic force/near-field scanning optical microscope SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Meyer, Kent A.; Shuford, Kevin L.; Whitten, William B.; Shaw, Robert W.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM meyerka@ornl.gov; shufordkl@ornl.gov; whittenwb@ornl.gov; shawrw@ornl.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 496-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109502 ER PT J AU Meyer, KA Whitten, WB Shaw, RW Ng, K Zeng, TY AF Meyer, Kent A. Whitten, William B. Shaw, Robert W. Ng, Kin Zeng, Tingying TI PHYS 418-Single photon emission behavior from indium phosphide nanoparticles SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Meyer, Kent A.; Whitten, William B.; Shaw, Robert W.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Ng, Kin] Calif State Univ Fresno, Dept Chem, Fresno, CA 93740 USA. [Zeng, Tingying] Western Kentucky Univ, Dept Chem, Bowling Green, KY 42101 USA. EM meyerka@ornl.gov; whittenwb@ornl.gov; shawrw@ornl.gov; kinn@csufresno.edu; tingying.zeng@wku.edu NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 418-PHYS PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775109499 ER PT J AU Miller, JB Alfonso, DR Howard, BH O'Brien, CP Morreale, BD AF Miller, James B. Alfonso, Dominic R. Howard, Bret H. O'Brien, Casey P. Morreale, Bryan D. TI FUEL 254-Activation of molecular hydrogen on palladium separation membrane surfaces in the presence of H2S SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Miller, James B.; O'Brien, Casey P.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. [Morreale, Bryan D.] US DOE, Off Res & Dev, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM jbmiller@andrew.cmu.edu; alfonso@netl.doe.gov; BRET.HOWARD@netl.doe.gov; cpobrien@andrew.cmu.edu; bryan.morreale@netl.doe.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 254-FUEL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775104611 ER PT J AU Mincher, BJ Mezyk, SP Elias, G Tillotson, RD Riddle, CL Herbst, RS Bauer, WF Law, JD Todd, TA Peterman, DR AF Mincher, Bruce J. Mezyk, Stephen P. Elias, Gracy Tillotson, Richard D. Riddle, Catherine L. Herbst, R. Scott Bauer, William F. Law, Jack D. Todd, Terry A. Peterman, Dean R. TI NUCL 115-The effect of gamma-radiation on the FPEX and CCD-PEG processes for the separation of Cs and Sr from nuclear fuel dissolution SO ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY LA English DT Meeting Abstract CT 235th American-Chemical-Society National Meeting CY APR 06-10, 2008 CL New Orleans, LA SP Amer Chem Soc C1 [Mincher, Bruce J.; Riddle, Catherine L.; Herbst, R. Scott; Law, Jack D.; Todd, Terry A.; Peterman, Dean R.] Idaho Natl Lab, Aqueous Separat & Radiochem Dept, Idaho Falls, ID 83415 USA. [Mezyk, Stephen P.] Calif State Univ Long Beach, Dept Chem & Biochem, Long Beach, CA 90840 USA. [Elias, Gracy] Idaho Natl Lab, Chem & Radiat Measurements Dept, Idaho Falls, ID 83415 USA. EM bruce.mincher@inl.gov; smezyk@csulb.edu; gracy.elias@inl.gov; catherine.riddle@inl.gov; R.Herbst@inl.gov; william.bauer@inl.gov; Jack.Law@inl.gov; dean.peterman@inl.gov RI Bauer, William/B-8357-2016; Mincher, Bruce/C-7758-2017 OI Bauer, William/0000-0002-7190-9700; NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0065-7727 J9 ABSTR PAP AM CHEM S JI Abstr. Pap. Am. Chem. Soc. PD APR 6 PY 2008 VL 235 MA 115-NUCL PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 519OA UT WOS:000271775107349 ER EF