FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Geddes, CGR Toth, C van Tilborg, J Esarey, E Schroeder, CB Cary, J Leemans, WP AF Geddes, CGR Toth, C van Tilborg, J Esarey, E Schroeder, CB Cary, J Leemans, WP TI Guiding of relativistic laser pulses by preformed plasma channels SO PHYSICAL REVIEW LETTERS LA English DT Article ID ELECTRON ACCELERATION; WAKEFIELD; PROPAGATION; BEAMS; IONIZATION; INJECTION; WAVES AB Guiding of relativistically intense (> 10(18) W/cm(2)) laser pulses over more than 10 diffraction lengths has been demonstrated using plasma channels formed by hydrodynamic shock. Pulses up to twice the self-guiding threshold power were guided without aberration by tuning the guide profile. Transmitted spectra and mode images showed the pulse remained in the channel over the entire length. Experiments varying guided mode power and simulations show a large plasma wave was driven. Operating just below the trapping threshold produces a dark current free structure suitable for controlled injection. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. TechX Corp, Boulder, CO 80303 USA. Eindhoven Univ Technol, NL-5600 MB Eindhoven, Netherlands. Univ Colorado, Boulder, CO 80309 USA. RP Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. OI Schroeder, Carl/0000-0002-9610-0166 NR 29 TC 56 Z9 57 U1 3 U2 8 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 SEP 30 PY 2005 VL 95 IS 14 AR 145002 DI 10.1103/PhysRevLett.95.145002 PG 4 WC Physics, Multidisciplinary SC Physics GA 969JG UT WOS:000232229800033 PM 16241663 ER PT J AU Hall, LJ Nomura, Y Oliver, SJ AF Hall, LJ Nomura, Y Oliver, SJ TI Evolving dark energy with w not equal-1 SO PHYSICAL REVIEW LETTERS LA English DT Article ID COSMOLOGICAL CONSTANT; GOLDSTONE BOSONS; SUPERNOVAE; AXION AB Theories of evolving quintessence are constructed that generically lead to deviations from the w=-1 prediction of nonevolving dark energy. The small mass scale that governs evolution, m(phi)approximate to 10(-33) eV, is radiatively stable, and the "Why now?" problem is solved. These results rest on seesaw cosmology: Fundamental physics and cosmology can be broadly understood from only two mass scales, the weak scale v and the Planck scale M. Requiring a scale of dark energy rho(DE)(1/4) governed by v(2)/M and a radiatively stable evolution rate m(phi) given by v(4)/M-3 leads to a distinctive form for the equation of state w(z). Dark energy resides in the potential of a hidden axion field that is generated by a new QCD-like force that gets strong at the scale Lambda approximate to v(2)/M approximate to rho(DE)(1/4). The evolution rate is given by a second seesaw that leads to the axion mass m(phi)approximate to Lambda(2)/f, with f approximate to M. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. RP Hall, LJ (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. NR 22 TC 21 Z9 21 U1 0 U2 0 PU AMERICAN 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 SEP 30 PY 2005 VL 95 IS 14 AR 141302 DI 10.1103/PhysRevLett.95.141302 PG 4 WC Physics, Multidisciplinary SC Physics GA 969JG UT WOS:000232229800011 PM 16241641 ER PT J AU Kramer, K Armstrong, DS Averett, TD Bertozzi, W Binet, S Butuceanu, C Camsonne, A Cates, GD Chen, JP Choi, S Chudakov, E Cusanno, F Deur, A Djawotho, P Dutta, D Finn, JM Gao, H Garibaldi, F Gayou, O Gilman, R Glamazdin, A Gorbenko, V Griffioen, KA Hansen, JO Higinbotham, DW Hinton, W Horn, T de Jager, CW Jiang, X Korsch, W LeRose, J Lhuillier, D Liyanage, N Margaziotis, DJ McCormick, K Meziani, ZE Michaels, R Milbrath, B Moffit, B Nanda, S Perdrisat, CF Pomatsalyuk, R Punjabi, V Reitz, B Roche, J Roche, R Roedelbronn, M Savvinov, N Secrest, J Singh, J Sirca, S Slifer, K Solvignon, P Steiner, DJ Suleiman, R Sulkosky, V Tobias, A Vacheret, A Xiao, Y Zheng, X Zhou, J Zhu, L Zhu, X Zolnierczuk, PA AF Kramer, K Armstrong, DS Averett, TD Bertozzi, W Binet, S Butuceanu, C Camsonne, A Cates, GD Chen, JP Choi, S Chudakov, E Cusanno, F Deur, A Djawotho, P Dutta, D Finn, JM Gao, H Garibaldi, F Gayou, O Gilman, R Glamazdin, A Gorbenko, V Griffioen, KA Hansen, JO Higinbotham, DW Hinton, W Horn, T de Jager, CW Jiang, X Korsch, W LeRose, J Lhuillier, D Liyanage, N Margaziotis, DJ McCormick, K Meziani, ZE Michaels, R Milbrath, B Moffit, B Nanda, S Perdrisat, CF Pomatsalyuk, R Punjabi, V Reitz, B Roche, J Roche, R Roedelbronn, M Savvinov, N Secrest, J Singh, J Sirca, S Slifer, K Solvignon, P Steiner, DJ Suleiman, R Sulkosky, V Tobias, A Vacheret, A Xiao, Y Zheng, X Zhou, J Zhu, L Zhu, X Zolnierczuk, PA TI Q(2) dependence of the neutron spin structure function g(2)(n) at low Q(2) SO PHYSICAL REVIEW LETTERS LA English DT Article ID DEEP-INELASTIC-SCATTERING; RADIATIVE-CORRECTIONS; PRECISION-MEASUREMENT; PERTURBATION-THEORY; SOLITON MODEL; ASYMMETRIES; PROTON; HE-3; A(2); EP AB We present the first measurement of the Q(2) dependence of the neutron spin structure function g(2)(n) at five kinematic points covering 0.57 (GeV/c)(2)<= Q(2)<= 1.34 (GeV/c)(2) at x similar or equal to 0.2. Though the naive quark-parton model predicts g(2)=0, nonzero values occur in more realistic models of the nucleon which include quark-gluon correlations, finite quark masses, or orbital angular momentum. When scattering from a noninteracting quark, g(2)(n) can be predicted using next-to-leading order fits to world data for g(1)(n). Deviations from this prediction provide an opportunity to examine QCD dynamics in nucleon structure. Our results show a positive deviation from this prediction at lower Q(2), indicating that contributions such as quark-gluon interactions may be important. Precision data obtained for g(1)(n) are consistent with next-to-leading order fits to world data. C1 Calif State Univ Los Angeles, Los Angeles, CA 90032 USA. Univ Clermont Ferrand, Aubiere, France. CNRS, IN2P3, Aubiere, France. Eastern Kentucky Univ, Richmond, KY 40475 USA. Florida State Univ, Tallahassee, FL 32306 USA. Univ Illinois, Urbana, IL 61801 USA. Ist Nazl Fis Nucl, I-00161 Rome, Italy. Kent State Univ, Kent, OH 44242 USA. Univ Kentucky, Lexington, KY 40506 USA. Kharkov Phys & Technol Inst, UA-61108 Kharkov, Ukraine. Univ Maryland, College Pk, MD 20742 USA. Univ Massachusetts, Amherst, MA 01003 USA. MIT, Cambridge, MA 02139 USA. Norfolk State Univ, Norfolk, VA 23504 USA. Old Dominion Univ, Norfolk, VA 23529 USA. Rutgers State Univ, Piscataway, NJ 08855 USA. CEA Saclay, DAPNIA, SPhN, F-91191 Gif Sur Yvette, France. Temple Univ, Philadelphia, PA 19122 USA. Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. Univ Virginia, Charlottesville, VA 22904 USA. Coll William & Mary, Williamsburg, VA 23187 USA. RP Calif State Univ Los Angeles, Los Angeles, CA 90032 USA. RI Zhu, Xiaofeng/B-9493-2011; Gao, Haiyan/G-2589-2011; Singh, Jaideep/H-2346-2013; Higinbotham, Douglas/J-9394-2014; OI Singh, Jaideep/0000-0002-4810-4824; Higinbotham, Douglas/0000-0003-2758-6526; Glamazdin, Alexander/0000-0002-4172-7324 NR 34 TC 37 Z9 37 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 SEP 30 PY 2005 VL 95 IS 14 AR 142002 DI 10.1103/PhysRevLett.95.142002 PG 5 WC Physics, Multidisciplinary SC Physics GA 969JG UT WOS:000232229800016 PM 16241646 ER PT J AU Xu, X Beckman, SP Specht, P Weber, ER Chrzan, DC Erni, RP Arslan, I Browning, N Bleloch, A Kisielowski, C AF Xu, X Beckman, SP Specht, P Weber, ER Chrzan, DC Erni, RP Arslan, I Browning, N Bleloch, A Kisielowski, C TI Distortion and segregation in a dislocation core region at atomic resolution SO PHYSICAL REVIEW LETTERS LA English DT Article ID TRANSMISSION ELECTRON-MICROSCOPY; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; AB-INITIO; DEFORMED SILICON; SEMICONDUCTORS; GAAS; RECONSTRUCTION; ANGSTROM; DEFECTS AB The structure of an isolated, Ga terminated, 30 degrees partial dislocation in GaAsBe is determined by high resolution transmission electron microscopes and focal series reconstruction. The positions of atomic columns in the core region are measured to an accuracy of better than 10 pm. A quantitative comparison of the structure predicted by an ab initio electronic structure total energy calculation to the experiment indicates that theory and experiment agree to within 20 pm. Further analysis shows the deviations between theory and experiment appear to be systematic. Electron energy loss spectroscopy establishes that defects segregate to the core region, thus accounting for the systematic deviations. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94706 USA. Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. SERC, Daresbury Lab, UK SuperSTEM, Warrington WA4 4AD, Cheshire, England. RP Xu, X (reprint author), Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Bldg 72-15-,1 Cyclotron Rd, Berkeley, CA 94706 USA. RI Bleloch, Andrew/A-1350-2009; Erni, Rolf/P-7435-2014; OI Erni, Rolf/0000-0003-2391-5943; Browning, Nigel/0000-0003-0491-251X NR 30 TC 35 Z9 35 U1 2 U2 30 PU AMERICAN 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 SEP 30 PY 2005 VL 95 IS 14 AR 145501 DI 10.1103/PhysRevLett.95.145501 PG 4 WC Physics, Multidisciplinary SC Physics GA 969JG UT WOS:000232229800037 PM 16241667 ER PT J AU Yang, HB Pan, ZH Sekharan, AKP Sato, T Souma, S Takahashi, T Jin, R Sales, BC Mandrus, D Fedorov, AV Wang, Z Ding, H AF Yang, HB Pan, ZH Sekharan, AKP Sato, T Souma, S Takahashi, T Jin, R Sales, BC Mandrus, D Fedorov, AV Wang, Z Ding, H TI Fermi surface evolution and luttinger theorem in NaxCoO2: A systematic photoemission study SO PHYSICAL REVIEW LETTERS LA English DT Article ID BI2SR2CACU2O8+DELTA; DISPERSION AB We report a systematic angle-resolved photoemission study on NaxCoO2 for a wide range of Na concentrations (0.3 <= x <= 0.72). In all the metallic samples at different x, we observed (i) only a single holelike Fermi surface centered around Gamma and (ii) its area changes with x according to the Luttinger theorem. We also observed a surface state that exhibits a larger Fermi surface area. The e(g)(') band and the associated small Fermi surface pockets near the K points predicted by band calculations are found to sink below the Fermi energy in a manner almost independent of the doping and temperature. C1 Boston Coll, Dept Phys, Chestnut Hill, MA 02467 USA. Tohoku Univ, Dept Phys, Sendai, Miyagi 9808578, Japan. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Boston Coll, Dept Phys, Chestnut Hill, MA 02467 USA. RI Takahashi, Takashi/E-5080-2010; Sato, Takafumi/E-5094-2010; Tohoku, Arpes/A-4890-2010; souma, seigo/A-4858-2010; Mandrus, David/H-3090-2014; OI Ding, Hong/0000-0003-4422-9248 NR 21 TC 121 Z9 122 U1 0 U2 11 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 SEP 30 PY 2005 VL 95 IS 14 AR 146401 DI 10.1103/PhysRevLett.95.146401 PG 4 WC Physics, Multidisciplinary SC Physics GA 969JG UT WOS:000232229800044 PM 16241674 ER PT J AU Yoshida, T Tanaka, K Yagi, H Ino, A Eisaki, H Fujimori, A Shen, ZX AF Yoshida, T Tanaka, K Yagi, H Ino, A Eisaki, H Fujimori, A Shen, ZX TI Direct observation of the mass renormalization in SrVO3 by angle resolved photoemission spectroscopy SO PHYSICAL REVIEW LETTERS LA English DT Article ID SPECTRAL WEIGHT TRANSFER; MOTT-HUBBARD SYSTEMS; SURFACE-STATES; TRANSITION; INSULATOR; EVOLUTION; CA1-XSRXVO3 AB Band dispersions and Fermi surfaces of the three-dimensional Mott-Hubbard system SrVO3 are directly observed by angle-resolved photoemission spectroscopy. An observed spectral weight distribution near the Fermi level (E-F) shows cylindrical Fermi surfaces as predicted by band-structure calculations. By comparing the experimental results with calculated surface electronic structures, we conclude that the obtained band dispersion reflects the bulk electronic structure. The enhanced effective electron mass obtained from the energy band near E-F is consistent with the bulk thermodynamic properties and hence with the normal Fermi-liquid behavior of SrVO3. C1 Univ Tokyo, Dept Complex Sci & Engn, Kashiwa, Chiba 2778561, Japan. Univ Tokyo, Dept Phys, Kashiwa, Chiba 2778561, Japan. Hiroshima Univ, Hiroshima Synchrotron Radiat Ctr, Higashihiroshima 7398526, Japan. Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki 3058568, Japan. Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. Stanford Univ, Stanford Synchrotron Radiat Lab, Stanford, CA 94305 USA. RP Yoshida, T (reprint author), Univ Tokyo, Dept Complex Sci & Engn, Kashiwa, Chiba 2778561, Japan. NR 20 TC 53 Z9 53 U1 1 U2 20 PU AMERICAN 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 SEP 30 PY 2005 VL 95 IS 14 AR 146404 DI 10.1103/PhysRevLett.95.146404 PG 4 WC Physics, Multidisciplinary SC Physics GA 969JG UT WOS:000232229800047 PM 16241677 ER PT J AU Crooker, SA Furis, M Lou, X Adelmann, C Smith, DL Palmstrom, CJ Crowell, PA AF Crooker, SA Furis, M Lou, X Adelmann, C Smith, DL Palmstrom, CJ Crowell, PA TI Imaging spin transport in lateral ferromagnet/semiconductor structures SO SCIENCE LA English DT Article ID FERROMAGNET-SEMICONDUCTOR INTERFACE; INJECTION AB We directly imaged electrical spin injection and accumulation in the gallium arsenide channel of lateral spin-transport devices, which have. ferromagnetic source and drain tunnel-barrier contacts. The emission of spins from the source was observed, and a region of spin accumulation was imaged near the ferromagnetic drain contact. Both injected and accumulated spins have the same orientation (antiparallel to the contact magnetization), and we show that the accumulated spin polarization flows away from the drain (against the net electron current), indicating that electron spins are polarized by reflection from the ferromagnetic drain contact. The electrical conductance can be modulated by controlling the spin orientation of optically injected electrons flowing through the drain. C1 Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Los Alamos Natl Lab, Natl High Magnet Field Lab, POB 1663, Los Alamos, NM 87545 USA. EM crooker@lanl.gov RI Adelmann, Christoph/C-1507-2014; Furis, Madalina/F-8090-2015 OI Adelmann, Christoph/0000-0002-4831-3159; Furis, Madalina/0000-0001-9007-5492 NR 26 TC 238 Z9 243 U1 3 U2 44 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 EI 1095-9203 J9 SCIENCE JI Science PD SEP 30 PY 2005 VL 309 IS 5744 BP 2191 EP 2195 DI 10.1126/science.1116865 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 970NX UT WOS:000232318000036 PM 16195454 ER PT J AU Arslan, I Yates, TJV Browning, ND Midgley, PA AF Arslan, I Yates, TJV Browning, ND Midgley, PA TI Embedded nanostructures revealed in three dimensions SO SCIENCE LA English DT Article ID TRANSMISSION ELECTRON-MICROSCOPE; QUANTUM DOTS; GROWTH; SEMICONDUCTOR; SN; SI AB Nanotechnology creates a new challenge for materials characterization because device properties now depend on size and shape as much as they depend on the traditional parameters of structure and composition. Here we show that Z-contrast tomography in the scanning transmission electron microscope has been developed to determine the complete three-dimensional size and shape of embedded structures with a resolution of approximately 1 cubic nanometer. The results from a tin/silicon quantum dot system show that the positions of the quantum dots and their size, shape, structure, and formation mechanism can be determined directly. These methods are applicable to any system, providing a unique and versatile three-dimensional visualization tool. C1 Univ Cambridge, Dept Mat Sci & Met, Cambridge CB2 3QZ, England. Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. RP Arslan, I (reprint author), Univ Cambridge, Dept Mat Sci & Met, Pembroke St, Cambridge CB2 3QZ, England. EM ia250@cam.ac.uk RI Yates, Timothy/C-5248-2009 NR 27 TC 113 Z9 114 U1 2 U2 49 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 SEP 30 PY 2005 VL 309 IS 5744 BP 2195 EP 2198 DI 10.1126/science.1116745 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 970NX UT WOS:000232318000037 PM 16195455 ER PT J AU Shoemaker, EL Kim, CU Vogt, MC AF Shoemaker, EL Kim, CU Vogt, MC TI CO2 sensing mechanisms of an electrocatalytic sensor based on a tungsten-stabilized bismuth oxide solid electrolyte and cyclic voltammetry measurement techniques SO SENSORS AND ACTUATORS B-CHEMICAL LA English DT Article DE CO2; thick-film sensor; solid electrolyte; cyclic voltammetry; tungsten-stabilized bismuth oxide AB The CO2 sensing mechanisms of an active, thick-film electrochemical sensor based on a tungsten-stabilized bismuth oxide solid electrolyte are investigated. CO2 electroactive response appears to be directly related to the tungsten dopant within the solid electrolyte layer and is dependant on electrolyte porosity. (C) 2005 Published by Elsevier B.V. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Univ Texas, Arlington, TX 76019 USA. RP Shoemaker, EL (reprint author), 206 Hyde Pk Dr, Richardson, TX 75080 USA. EM e-shoemakerl@ti.com; vogt@anl.gov NR 13 TC 5 Z9 5 U1 2 U2 12 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-4005 J9 SENSOR ACTUAT B-CHEM JI Sens. Actuator B-Chem. PD SEP 30 PY 2005 VL 110 IS 1 BP 89 EP 100 DI 10.1016/j.snb.2005.01.015 PG 12 WC Chemistry, Analytical; Electrochemistry; Instruments & Instrumentation SC Chemistry; Electrochemistry; Instruments & Instrumentation GA 968QF UT WOS:000232176500013 ER PT J AU Vrugt, JA Robinson, BA Vesselinov, VV AF Vrugt, JA Robinson, BA Vesselinov, VV TI Improved inverse modeling for flow and transport in subsurface media: Combined parameter and state estimation SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article AB Current approaches for inverse modeling (IM) to estimate flow and transport properties in subsurface media implicitly assume that uncertainty in the input-output representation of the model arises from uncertainty in the parameter estimates. However, uncertainties in the modeling procedure stem not only from uncertainties in the parameter estimates, but also from measurement errors, from incomplete knowledge of subsurface heterogeneity, and from model structural errors arising from the aggregation of spatially distributed real-world processes in a mathematical model. In this paper we present an improved concept for IM of subsurface flow and transport. Studies using interwell reactive tracer test data demonstrate that this new method, called Simultaneous Optimization and Data Assimilation, results in parameter estimates and model prediction uncertainty bounds which more closely mimic the properties of the subsurface. Most important is the finding that explicit treatment of input, output and model structural errors during IM, significantly alters the optimal values of the model parameters. C1 Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. RP Vrugt, JA (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Mail Stop T003, Los Alamos, NM 87545 USA. EM vrugt@lanl.gov RI Vrugt, Jasper/C-3660-2008; Robinson, Bruce/F-6031-2010; Vesselinov, Velimir/P-4724-2016 OI Vesselinov, Velimir/0000-0002-6222-0530 NR 10 TC 17 Z9 17 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 SEP 29 PY 2005 VL 32 IS 18 AR L18408 DI 10.1029/2005GL023940 PG 5 WC Geosciences, Multidisciplinary SC Geology GA 971OY UT WOS:000232395000007 ER PT J AU Tegze, M Faigel, G Bortel, G Marchesini, S Belakhovsky, M Simionovici, A AF Tegze, M Faigel, G Bortel, G Marchesini, S Belakhovsky, M Simionovici, A TI X-ray holography: Atoms in 3D SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 7th International School and Symposium on Synchrotron Radiation in Natural Science CY JUN 08-13, 2004 CL Zakopane, POLAND SP European Phys Soc, PREVAC Co, Hilgenberg GmbH DE crystal structure; X-ray diffraction ID TWIN IMAGES; RESOLUTION; CRYSTAL AB X-ray holography is a novel method for the investigation of local atomic arrangements in solids. In conventional diffraction experiments, only the intensity of the scattered radiation is measured, its phase is lost. This loss of information makes difficult to reconstruct the atomic arrangements. In holography, both the intensity and the phase information is recorded. Using one of the atoms of the solid as source or detector of the X-radiation, atomic resolution can be reached. A three-dimensional picture of the atoms surrounding the source/detector atom can be easily reconstructed from the measured hologram. While, in principle, the measurement is very simple, in practice the small signalto-background ratio (similar to 10(-3)) makes it difficult. Using high intensity synchrotron radiation, the measurement time can be reduced and high quality holograms can be recorded. In this paper, we review the principles and experimental techniques of atomic resolution X-ray holography and present a few examples of its application. (c) 2005 Elsevier B.V All rights reserved. C1 Hungarian Acad Sci, Res Inst Solid State Phys & Opt, H-1525 Budapest, Hungary. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. CEA, SP2M, DRFMC, F-38054 Grenoble, France. European Synchrotron Radiat Facil, F-38043 Grenoble, France. RP Tegze, M (reprint author), Hungarian Acad Sci, Res Inst Solid State Phys & Opt, 12 Konkoly Thege M Ut 29-33,POB 49, H-1525 Budapest, Hungary. EM mt@szfki.hu RI Marchesini, Stefano/A-6795-2009 NR 22 TC 3 Z9 3 U1 1 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD SEP 29 PY 2005 VL 401 IS 1-2 BP 92 EP 98 DI 10.1016/j.jallcom.2004.12.057 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 969WY UT WOS:000232267700019 ER PT J AU Ravel, B AF Ravel, B TI A practical introduction to multiple scattering theory SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 7th International School and Symposium on Synchrotron Radiation in Natural Science CY JUN 08-13, 2004 CL Zakopane, POLAND SP European Phys Soc, PREVAC Co, Hilgenberg GmbH DE XANES; EXAFS; multiple scattering theory; FEFF; PbTiO3; SF6; Fe ID X-RAY-ABSORPTION; FINE-STRUCTURE; EDGE STRUCTURE; SPECTRA; XAFS; TRANSITION; PBTIO3; PHASE AB In recent years, the ability to interpret and analyze X-ray absorption spectroscopy data has progressed dramatically due, in large part, to the rapid development of ab initio theories of the absorption spectrum. One such theory, the FEFF program, has proven especially successful and is in wide use throughout the world. This paper presents an outline of the real-space, multiple-scattering theory used by FEFF and explains how FEFF is applied to both the near-edge and extended portions of the absorption spectrum. This paper is intended to be both practical and accessible. It is by a synchrotron experimentalist and intended for synchrotron experimentalists. (c) 2005 Elsevier B.V All rights reserved. C1 USN, Res Lab, Washington, DC 20375 USA. RP Ravel, B (reprint author), Argonne Natl Lab, Div Environm Res, Argonne, IL 60439 USA. EM bravel@anl.gov NR 25 TC 34 Z9 35 U1 2 U2 21 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 SEP 29 PY 2005 VL 401 IS 1-2 BP 118 EP 126 DI 10.1016/j.jallcom.2004.04.021 PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 969WY UT WOS:000232267700023 ER PT J AU Ufuktepe, Y Akgul, G Luning, J AF Ufuktepe, Y Akgul, G Luning, J TI X-ray photoabsorption and total electron yield of Fe thin films at the L-2,L-3 edge SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 7th International School and Symposium on Synchrotron Radiation in Natural Science CY JUN 08-13, 2004 CL Zakopane, POLAND SP European Phys Soc, PREVAC Co, Hilgenberg GmbH DE Fe; thin film; X-ray absorption; spectroscopy; synchrotron radiation ID ABSORPTION FINE-STRUCTURE AB We have studied thin Fe films by soft X-ray absorption spectroscopy to determine the total electron yield (TEY) sampling depth (gimel(e)) at the Fe L-2,L-3 edge. For this, we have recorded high-resolution X-ray absorption spectra in TEY resolving the near edge X-ray absorption fine structure (NEXAFS). Our analysis yields a value of gimel(e) = 21 +/- 2 A for the TEY sampling depth. (c) 2005 Elsevier B.V. All rights reserved. C1 Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. Cukurova Univ, Dept Phys, TR-01330 Adana, Turkey. RP Ufuktepe, Y (reprint author), Stanford Synchrotron Radiat Lab, POB 4349,MS 69, Stanford, CA 94309 USA. EM ufuk@eu.edu.tr NR 14 TC 9 Z9 9 U1 1 U2 8 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 SEP 29 PY 2005 VL 401 IS 1-2 BP 193 EP 196 DI 10.1016/j.jallcom.2005.02.056 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 969WY UT WOS:000232267700035 ER PT J AU Lawson, SL Feldman, WC Lawrence, DJ Moore, KR Elphic, RC Belian, RD Maurice, S AF Lawson, SL Feldman, WC Lawrence, DJ Moore, KR Elphic, RC Belian, RD Maurice, S TI Recent outgassing from the lunar surface: The Lunar Prospector Alpha Particle Spectrometer SO JOURNAL OF GEOPHYSICAL RESEARCH-PLANETS LA English DT Article ID TRANSIENT PHENOMENA; RADON EMANATION; MOON; RADIOACTIVITY AB [1] The Lunar Prospector Alpha Particle Spectrometer (APS) was designed to detect characteristic-energy alpha particles from the decay of Rn-222, Po-218, and Po-210 and to therefore map sites of radon release on the lunar surface. These three nuclides are radioactive daughters from the decay of U-238; hence the background level of alpha particle activity is a function of the lunar crustal uranium distribution. Radon reaches the lunar surface either at areas of high soil porosity or where fissures release the trapped gases in which radon is entrained. Once released, the radon spreads out by "bouncing'' across the surface on ballistic trajectories in a random-walk process. The half-life of Rn-222 allows the gas to spread out by several hundred kilometers before it decays ( depositing approximately half of the Po-218 recoil nuclides on the lunar surface) and allows the APS to detect gas release events up to several days after they occur. The long residence time of the Pb-210 precursor to Po-210 allows the mapping of gas vents which have been active over the last approximately 60 years. The APS found only a faint indication of Po-218 alpha particles. However, the Rn-222 alpha particle map shows that radon gas was emanating from the vicinity of craters Aristarchus and Kepler at the time of Lunar Prospector. The Po-210 alpha particle distribution reveals a variability in time and space of lunar gas release events. Po-210 and Rn-222 detections are associated with both thorium enhancements and lunar pyroclastic deposits. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Observ Midi Pyrenees, Ctr Etud Spatiale Rayonnements, F-31400 Toulouse, France. RP Lawson, SL (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM djlawrence@lanl.gov RI Lawrence, David/E-7463-2015 OI Lawrence, David/0000-0002-7696-6667 NR 26 TC 20 Z9 20 U1 0 U2 2 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-PLANET JI J. Geophys. Res.-Planets PD SEP 29 PY 2005 VL 110 IS E9 AR E09009 DI 10.1029/2005JE002433 PG 8 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 973GO UT WOS:000232511100001 ER PT J AU Zaharia, S Birn, J Cheng, CZ AF Zaharia, S Birn, J Cheng, CZ TI Toward a global magnetospheric equilibrium model SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID SOLAR-WIND CONTROL; MAGNETIC-FIELD; PLASMA PRESSURE; MAGNETOTAIL EQUILIBRIUM; CURRENT SYSTEMS; GROWTH-PHASE; TAIL; AVERAGE; SHEET AB [1] In this paper we take a first step toward the development of a realistic global magnetospheric model in which the magnetic forces are equilibrated by plasma pressure forces. Such a model describes a "quasi-static'' equilibrium, a condition valid at most times in the Earth's magnetosphere. The work reported here involves the coupling in two dimensions of a numerical inner/middle magnetosphere model in flux coordinates, which solves the Grad-Shafranov equation in "inverse'' form, with an asymptotic magnetotail model farther away from Earth. We discuss the obtained configurations ( including the resulting magnetic fields and electric currents) under different observation-based inputs ( parameters include plasma and total pressures, as well as the magnetic flux boundary). In particular, we focus on the boundary value problem, in which we take realistic shapes for the outer magnetic flux surface ( close to the magnetopause) and plasma pressure distributions as model inputs and obtain the total pressure variation in the tail as a by-product of the model. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Zaharia, S (reprint author), Los Alamos Natl Lab, POB 1663,MS D466, Los Alamos, NM 87545 USA. EM szaharia@lanl.gov RI Cheng, Chio/K-1005-2014 NR 35 TC 4 Z9 4 U1 0 U2 2 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 SEP 29 PY 2005 VL 110 IS A9 AR A09228 DI 10.1029/2005JA011101 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 973HB UT WOS:000232512400004 ER PT J AU Raman, S Ashcraft, RW Vial, M Klasky, ML AF Raman, S Ashcraft, RW Vial, M Klasky, ML TI Oxidation of hydroxylamine by nitrous and nitric acids. Model development from first principle SCRF calculations SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID COMPLETE BASIS-SET; AB-INITIO; KINETICS; MECHANISM; DECOMPOSITION; PROTONATION; GAS AB Ab initio molecular orbital calculations have been performed to develop an elementary reaction mechanism for the autocatalytic and scavenging reactions of hydroxylamine in an aqueous nitric acid medium. An improved understanding of the titled reactions is needed to determine the "stability boundary of hydroxylamine" for safe operations of the plutonium-uranium reduction extraction (PUREX) process. Under the operating conditions of the PUREX process, namely, 6 M nitric acid, the reactive forms of hydroxylamine are NH2OH, NH3OH+, and the complex (NH3OHNO3)-N-., and those of nitrous acid are NO+, H2ONO+, N2O4, N2O3, NO2, and NO. High-level CBSQB3/IEFPCM and CBSQB3/COSMO calculations were performed using GAUSSIAN03 to investigate the energy landscape and to explore a large number of possible ion-ion, ion-radical, ion-molecule, radical-radical, radical-molecule, and molecule-molecule pathways available to the reactive forms of the reactants in solution. It was found that in solution the autocatalytic generation of nitrous acid proceeds through free radical pathways at low-hydroxylamine concentrations from unprotonated NH2OH via hydrogen abstraction. At high [NH3OH+], we suggest a possible involvement of the NH3ONO+ intermediate via the reaction NH2ONO + NO2 -> HNO + HONO + NO. The NH3ONO+ intermediate, in turn, is formed favorably via the ion-ion reactions of NH3OH+ with NO+ and/or the reaction between NO+ and hydroxylammonium nitrate (HAN). The intermediates involved in the scavenging reaction of nitrous acid by hydroxylamine are NH3ONO+, NH2ONO, NH2(NO)O, NH(NO)OH, and HONNOH and the rate-determining step is the 1,2-NO migration in NH2ONO leading to NH2(NO)O. Reactions NH2ONO -> NH2(NO)O and NH2(NO)O -> NH(NO)OH were studied with two explicit water molecules and the results are discussed in the context of the importance of the explicit treatment of solvent in the determination of the energetics and mechanism of these processes. The rate constants for the reactions were estimated using transition-state theory and other traditional techniques. The kinetic parameters obtained at the B3LYP/CBSB7/IEFPCM level are in reasonable agreement with the limited experimental value. IEFPCM results on free energy of undelocalized polar ions such as NO3-, NO2-, and NH3OH+ are not very accurate and have difficulties in predicting the right direction of acid dissociation equilibrium of HONO2, HONO, and NH3OH+. Explicit incorporation of a solvation shell to these ions improves the theoretical descriptions of acid ionization equilibria as it captures some of the nonlocal effects of these ions. Additional work is needed to correctly describe the solvation shell and to introduce consistency in the theoretical treatment involving explicit solvent molecules. Nevertheless, this systematic exploration of reactions in solution and mechanism development for a solution phase process based on self-consistent reaction field (SCRF) results is likely to be one of the first of its kind. C1 Oakwood Coll, Dept Chem, Huntsville, AL 35896 USA. MIT, Dept Chem Engn, Cambridge, MA 02139 USA. Duke Cogema Stone & Webster, Charlotte, NC 28231 USA. Los Alamos Natl Lab, Los Alamos, NM USA. RP Raman, S (reprint author), Oakwood Coll, Dept Chem, Huntsville, AL 35896 USA. NR 27 TC 11 Z9 12 U1 2 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD SEP 29 PY 2005 VL 109 IS 38 BP 8526 EP 8536 DI 10.1021/jp053003c PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 967WG UT WOS:000232121300012 PM 16834250 ER PT J AU Hratchian, HP Sonnenberg, JL Hay, PJ Martin, RL Bursten, BE Schlegel, HB AF Hratchian, HP Sonnenberg, JL Hay, PJ Martin, RL Bursten, BE Schlegel, HB TI Theoretical investigation of uranyl dihydroxide: Oxo ligand exchange, water catalysis, and vibrational spectra SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID REACTION-CENTER REHYBRIDIZATION; DENSITY-FUNCTIONAL THEORY; MOLECULAR-ORBITAL METHODS; GAUSSIAN-TYPE BASIS; AB-INITIO; CARBON-DIOXIDE; EQUILIBRIUM GEOMETRIES; ELECTRONIC-STRUCTURE; REACTION-MECHANISMS; ORGANIC-MOLECULES AB Density functional theory is employed to investigate uranyl dihydroxide, UO2(OH)(2), isomerization reaction energy barriers, including those occurring via proton shuttles. The ground-state structure of a uranyl dihydroxide complex containing a uranyl moiety with a near 90 degrees O=U=O bond angle is reported for the first time. Furthermore, we predict the vibrational spectra of these compounds. Scalar-relativistic effects for uranium are treated by employing a relativistic effective core potential. C1 Wayne State Univ, Dept Chem, Detroit, MI 48202 USA. Wayne State Univ, Inst Comp Sci, Detroit, MI 48202 USA. Ohio State Univ, Dept Chem, Columbus, OH 43210 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Hratchian, HP (reprint author), Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. EM hhratchi@indiana.edu; bursten@chemistry.ohio-state.edu RI Hratchian, Hrant/B-2891-2008; Sonnenberg, Jason/B-3485-2008 OI Sonnenberg, Jason/0000-0003-0122-5108 NR 65 TC 24 Z9 24 U1 1 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD SEP 29 PY 2005 VL 109 IS 38 BP 8579 EP 8586 DI 10.1021/jp052616m PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 967WG UT WOS:000232121300019 PM 16834257 ER PT J AU Polyakov, VB Horita, J Cole, DR AF Polyakov, VB Horita, J Cole, DR TI Isotopic self-exchange reactions of water: Evaluation of the rule of the geometric mean in liquid-vapor isotope partitioning SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID THERMO-PHYSICAL PROPERTIES; THERMODYNAMIC PROPERTIES; FRACTIONATION; HYDROGEN; H2O; TEMPERATURE; PRESSURE; SYSTEMS; OXYGEN; STEAM AB Deviations from the random distribution of hydrogen isotopes among isotopic species of liquid and vapor water (the rule of the geometric mean) were critically assessed theoretically and experimentally from the triple to critical point of water. A third-order polynomial equation of the classical near-critical expansion was used to accurately describe the liquid-vapor isotope fractionation of H2O and D2O on the basis of their equations of state. It was found that experimental data for the enthalpy of mixing of H2O-D2O can be used to calculate accurately the deviation from the rule of the geometric mean in liquid and vapor water, 1n(K-D(v)/K-D(l)). A new equation obtained in this study shows that the value of 1n(K-D(v)/K-D(l)) smoothly decreases from +0.009 to 0 with increasing temperature from the triple to critical temperature of water. In contrast, the equation available in the literature and that derived from mass spectrometric measurements of liquid-vapor partitioning of H2O and HDO show complex behavior, including maximum, minimum, and crossover. C1 Russian Acad Sci, VI Vernadskii Inst Geochem & Analyt Chem, Moscow, Russia. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Polyakov, VB (reprint author), Russian Acad Sci, VI Vernadskii Inst Geochem & Analyt Chem, B-334, Moscow, Russia. EM polyakov@geokhi.ru RI Polyakov, Veniamin/N-9747-2015 OI Polyakov, Veniamin/0000-0002-6718-580X NR 17 TC 10 Z9 10 U1 0 U2 8 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 SEP 29 PY 2005 VL 109 IS 38 BP 8642 EP 8645 DI 10.1021/jp053210c PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 967WG UT WOS:000232121300027 PM 16834265 ER PT J AU Khaliullin, RZ Bell, AT Head-Gordon, M AF Khaliullin, RZ Bell, AT Head-Gordon, M TI A density functional theory study of the mechanism of free radical generation in the system vanadate/PCA/H2O2 SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID O-2-H2O2-VANADIUM COMPLEX-PYRAZINE-2-CARBOXYLIC ACID; COMPLEX PYRAZINE-2-CARBOXYLIC ACID; LOWER ALKANES; REAGENT; OXIDATION; HYDROPEROXIDATION; ACETONITRILE; OXYGENATION; VANADATE; METHANE AB Experimental studies by Shul'pin and co-workers have shown that vanadate anions in combination with pyrazine-2-carboxylic acid (PCA equivalent to pcaH) produce an exceptionally active complex that promotes the oxidation of alkanes and other organic molecules. Reaction of this complex with H2O2 releases HOOcenter dot free radicals and generates V(IV) species, which are capable of generating HOcenter dot radicals by reaction with additional H2O2. The oxidation of alkanes is initiated by reaction with the HOcenter dot radicals. The mechanism of hydrocarbon oxidation with vanadate/PCA/H2O2 catalyst has been studied using density functional theory. The proposed model reproduces the major experimental observations. It is found that a vanadium complex with one pca (PCA equivalent to pcaH) and one H2O2 ligand is the precursor to the species responsible for HOOcenter dot generation. It is also found that species containing two pea ligands and an H2O2 Molecule do not exist in the solution, in contradiction to previous interpretations of experimental observations. Calculated dependences of the oxidation rate on initial concentrations of PCA and H2O2,, have characteristic maxima, the shapes of which are determined by the equilibrium concentration of the active species. Conversion of the precursors requires hydrogen transfer from H2O2 to a vanadyl group. Our calculations show that direct transfer has a higher barrier than pca-assisted indirect transfer. Indirect transfer occurs by migration of hydrogen from coordinated H2O2 to the oxygen of a pca ligand connected to the vanadium atom. The proposed mechanism demonstrates the important role of the cocatalyst in the reaction and explains why H2O2 complexes without pca are less active. Our work shows that the generation of HOOcenter dot radicals cannot occur via cleavage of a V-OOH bond in the complex formed directly from the precursors, as proposed before. The activation barrier for this process is too high. Instead, HOOcenter dot radicals are formed via a sequence of additional steps involving lower activation barriers. The new mechanism for free radical generation underestimates the observed rate of hexane oxidation by less than an order of magnitude; however, the calculated activation energy (67-81 kJ/mol) agrees well with that determined experimentally (63-80 kJ/mol). C1 Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Bell, AT (reprint author), Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM bell@cchem.berkeley.edu RI Khaliullin, Rustam/B-2672-2009; OI Khaliullin, Rustam/0000-0002-9073-6753; Bell, Alexis/0000-0002-5738-4645 NR 25 TC 57 Z9 59 U1 0 U2 6 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 SEP 29 PY 2005 VL 109 IS 38 BP 17984 EP 17992 DI 10.1021/jp058162a PG 9 WC Chemistry, Physical SC Chemistry GA 967WC UT WOS:000232120900034 PM 16853308 ER PT J AU Yin, Y Alivisatos, AP AF Yin, Y Alivisatos, AP TI Colloidal nanocrystal synthesis and the organic-inorganic interface SO NATURE LA English DT Review ID ORIENTED ATTACHMENT MECHANISM; SEMICONDUCTOR QUANTUM RODS; CDSE NANOCRYSTALS; CONTROLLED GROWTH; SELECTIVE GROWTH; SHAPE-CONTROL; SOLAR-CELLS; SIZE; NANOPARTICLES; DOTS AB Colloidal nanocrystals are solution-grown, nanometre-sized, inorganic particles that are stabilized by a layer of surfactants attached to their surface. The inorganic cores possess useful properties that are controlled by their composition, size and shape, and the surfactant coating ensures that these structures are easy to fabricate and process further into more complex structures. This combination of features makes colloidal nanocrystals attractive and promising building blocks for advanced materials and devices. Chemists are achieving ever more exquisite control over the composition, size, shape, crystal structure and surface properties of nanocrystals, thus setting the stage for fully exploiting the potential of these remarkable materials. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM alivis@berkeley.edu RI Yin, Yadong/D-5987-2011; Alivisatos , Paul /N-8863-2015 OI Yin, Yadong/0000-0003-0218-3042; Alivisatos , Paul /0000-0001-6895-9048 NR 62 TC 1913 Z9 1935 U1 163 U2 1412 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 SEP 29 PY 2005 VL 437 IS 7059 BP 664 EP 670 DI 10.1038/nature04165 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 968JD UT WOS:000232157900040 PM 16193041 ER PT J AU Dichtel, WR Hecht, S Frechet, JMJ AF Dichtel, WR Hecht, S Frechet, JMJ TI Functionally layered dendrimers: A new building block and its application to the synthesis of multichromophoric light-harvesting systems SO ORGANIC LETTERS LA English DT Article ID DENDRITIC MACROMOLECULES; ENERGY-TRANSFER; SITE ISOLATION; VECTORIAL TRANSDUCTION; EXCITATION-ENERGY; STAR POLYMERS; CATALYSIS; ENCAPSULATION; DEPROTECTION; PORPHYRIN AB A divergent synthesis of internally functionalized dendrimers based on a modular functional monomer has been developed. This strategy was applied to the construction of a light-harvesting dendrimer containing one set of naphthopyranone dyes located at the interior and another set of coumarin chromophores located in the adjacent outer layer surrounding a porphyrin acceptor. Quantitative energy transfer from both donor pigments is observed, giving rise to exclusive emission from the porphyrin core over all excitation wavelengths. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Dichtel, WR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM frechet@berkeley.edu RI Dichtel, William/A-5503-2009; Hecht, Stefan/A-4029-2013; OI Dichtel, William/0000-0002-3635-6119; Hecht, Stefan/0000-0002-6124-0222; Frechet, Jean /0000-0001-6419-0163 NR 36 TC 83 Z9 85 U1 0 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1523-7060 J9 ORG LETT JI Org. Lett. PD SEP 29 PY 2005 VL 7 IS 20 BP 4451 EP 4454 DI 10.1021/ol0516824 PG 4 WC Chemistry, Organic SC Chemistry GA 969QW UT WOS:000232250700037 PM 16178556 ER PT J AU Link, JM Yager, PM Anjos, JC Bediaga, I Castromonte, C Machado, AA Magnin, J Massafferri, A de Miranda, JM Pepe, IM Polycarpo, E dos Reis, AC Carrillo, S Casimiro, E Cuautle, E Sanchez-Hernandez, A Uribe, C Vazquez, F Agostino, L Cinquini, L Cumalat, JP O'Reilly, B Segoni, I Stenson, K Butler, JN Cheung, HWK Chiodini, G Gaines, I Garbincius, PH Garren, LA Gottschalk, E Kasper, PH Kreymer, AE Kutschke, R Wang, M Benussi, L Bertani, M Bianco, S Fabbri, FL Pacetti, S Zallo, A Reyes, M Cawlfield, C Kim, DY Rahimi, A Wiss, J Gardner, R Kryemadhi, A Chung, YS Kang, JS Ko, BR Kwak, JW Lee, KB Cho, K Park, H Alimonti, G Barberis, S Boschini, M Cerutti, A D'Angelo, P DiCorato, M Dini, P Edera, L Erba, S Inzani, P Leveraro, F Malvezzi, S Menasce, D Mezzadri, M Moroni, L Pedrini, D Pontoglio, C Prelz, F Rovere, M Sala, S Davenport, TF Arena, V Boca, G Bonomi, G Gianini, G Liguori, G Pegna, DL Merlo, MM Pantea, D Ratti, SP Riccardi, C Vitulo, P Gobel, C Hernandez, H Lopez, AM Mendez, H Paris, A Quinones, J Ramirez, JE Zhang, Y Wilson, JR Handler, T Mitchell, R Engh, D Hosack, M Johns, WE Luiggi, E Moore, JE Nehring, M Sheldon, PD Vaandering, EW Webster, M Sheaff, M AF Link, JM Yager, PM Anjos, JC Bediaga, I Castromonte, C Machado, AA Magnin, J Massafferri, A de Miranda, JM Pepe, IM Polycarpo, E dos Reis, AC Carrillo, S Casimiro, E Cuautle, E Sanchez-Hernandez, A Uribe, C Vazquez, F Agostino, L Cinquini, L Cumalat, JP O'Reilly, B Segoni, I Stenson, K Butler, JN Cheung, HWK Chiodini, G Gaines, I Garbincius, PH Garren, LA Gottschalk, E Kasper, PH Kreymer, AE Kutschke, R Wang, M Benussi, L Bertani, M Bianco, S Fabbri, FL Pacetti, S Zallo, A Reyes, M Cawlfield, C Kim, DY Rahimi, A Wiss, J Gardner, R Kryemadhi, A Chung, YS Kang, JS Ko, BR Kwak, JW Lee, KB Cho, K Park, H Alimonti, G Barberis, S Boschini, M Cerutti, A D'Angelo, P DiCorato, M Dini, P Edera, L Erba, S Inzani, P Leveraro, F Malvezzi, S Menasce, D Mezzadri, M Moroni, L Pedrini, D Pontoglio, C Prelz, F Rovere, M Sala, S Davenport, TF Arena, V Boca, G Bonomi, G Gianini, G Liguori, G Pegna, DL Merlo, MM Pantea, D Ratti, SP Riccardi, C Vitulo, P Gobel, C Hernandez, H Lopez, AM Mendez, H Paris, A Quinones, J Ramirez, JE Zhang, Y Wilson, JR Handler, T Mitchell, R Engh, D Hosack, M Johns, WE Luiggi, E Moore, JE Nehring, M Sheldon, PD Vaandering, EW Webster, M Sheaff, M CA FOCUS Collaboration TI Search for Lambda(+)(c)-> pK(+)pi(-) and D-s(+)-> K+K+pi(-) using genetic programming event selection SO PHYSICS LETTERS B LA English DT Article DE genetic programming ID FOCUS; SPECTROMETER; PHYSICS AB We apply a genetic programming technique to search for the doubly Cabibbo suppressed decays Lambda(c)(+) -> pK(+)pi(-) and D-s(+) -> K(+)K(+)pi(-). We normalize these decays to their Cabibbo favored partners and find BR(Lambda(c)(+) -> pK(+)pi(-))/BR Lambda(c)(+) -> PK(-)pi(+)) = (0.05 +/- 0.26 +/- 0.02)% and BR(D-s(+) -> K(+)K(+)pi(-))/BR(D-s(+) -> K(-)K(+)pi(+)) = (0.52 +/- 0.17 +/- 0.11)% where the first errors are statistical and the second are systematic. Expressed as 90% confidence levels (CL), we find < 0.46 and < 0.78%, respectively. This is the first successful use of genetic programming in a high energy physics data analysis. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Calif Davis, Davis, CA 95616 USA. Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, Brazil. CINVESTAV, Mexico City 07000, DF, Mexico. Univ Colorado, Boulder, CO 80309 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Guanajuato, Guanajuato 37150, Mexico. Univ Illinois, Urbana, IL 61801 USA. Indiana Univ, Bloomington, IN 47405 USA. Korea Univ, Seoul 136701, South Korea. Kyungpook Natl Univ, Taegu 702701, South Korea. Ist Nazl Fis Nucl, I-20133 Milan, Italy. Univ N Carolina, Asheville, NC 28804 USA. Ist Nazl Fis Nucl, I-27100 Pavia, Italy. Dipartimento Fis Teorica & Nucl, Pavia, Italy. Pontificia Univ Catolica Rio de Janeiro, Rio De Janeiro, Brazil. Univ Puerto Rico, Mayaguez, PR 00681 USA. Univ S Carolina, Columbia, SC 29208 USA. Univ Tennessee, Knoxville, TN 37996 USA. Vanderbilt Univ, Nashville, TN 37235 USA. Univ Wisconsin, Madison, WI 53706 USA. RP Univ Calif Davis, Davis, CA 95616 USA. EM ewv@fnal.gov RI Bonomi, Germano/G-4236-2010; Kwak, Jungwon/K-8338-2012; Anjos, Joao/C-8335-2013; Link, Jonathan/L-2560-2013; Castromonte Flores, Cesar Manuel/O-6177-2014; Benussi, Luigi/O-9684-2014; Gobel Burlamaqui de Mello, Carla /H-4721-2016; OI Bonomi, Germano/0000-0003-1618-9648; Link, Jonathan/0000-0002-1514-0650; Castromonte Flores, Cesar Manuel/0000-0002-9559-3704; Benussi, Luigi/0000-0002-2363-8889; Gobel Burlamaqui de Mello, Carla /0000-0003-0523-495X; Kutschke, Robert/0000-0001-9315-2879; Kryemadhi, Abaz/0000-0002-1240-2803 NR 11 TC 11 Z9 11 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD SEP 29 PY 2005 VL 624 IS 3-4 BP 166 EP 172 DI 10.1016/j.physletb.2005.08.032 PG 7 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 968NL UT WOS:000232169100006 ER PT J AU Salve, R AF Salve, R TI Observations of preferential flow during a liquid release experiment in fractured welded tuffs SO WATER RESOURCES RESEARCH LA English DT Article ID YUCCA MOUNTAIN; SOLUTE TRANSPORT; ROCK; TESTS; MODEL; ZONE; INSTABILITY; DIFFUSION; SEEPAGE; MATRIX AB [1] To better understand preferential flow in fractured rock, we carried out an in situ field experiment in the Exploratory Studies Facility at Yucca Mountain, Nevada. This experiment involved the release of similar to 22 m(3) of ponded water ( at a pressure head of similar to 0.04 m) over a period of 7 months, directly onto a 12 m(2) infiltration plot located on a fractured welded tuff surface. As water was released, changes in moisture content were monitored along horizontal boreholes located in the formation similar to 19 - 22 m below. Distinct flow zones, varying in flow velocity, wetted cross-sectional area, and extent of lateral movement, intercepted the monitoring boreholes. There was also evidence of water being diverted above the ceiling of a cavity in the immediate vicinity of the monitoring boreholes. Observations from this field experiment suggest that isolated conduits, each encompassing a large number of fractures, develop within the fractured rock formation to form preferential flow paths that persist if there is a continuous supply of water. In addition, in fractured welded tuffs the propensity for fracture-matrix interactions is significantly greater than that suggested by existing conceptual models, in which flow occurs along a section of fracture surfaces. An overriding conclusion is that field investigations at spatial scales of tens of meters provide data critical to the fundamental understanding of flow in fractured rock. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Salve, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, MS 14R0108,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM r_salve@lbl.gov NR 33 TC 9 Z9 9 U1 1 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0043-1397 J9 WATER RESOUR RES JI Water Resour. Res. PD SEP 29 PY 2005 VL 41 IS 9 AR W09427 DI 10.1029/2004WR003570 PG 20 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA 973HY UT WOS:000232514700001 ER PT J AU Choi, JS Partridge, WP Daw, CS AF Choi, JS Partridge, WP Daw, CS TI Spatially resolved in situ measurements of transient species breakthrough during cyclic, low-temperature regeneration of a monolithic Pt/K/Al2O3NOx storage-reduction catalyst SO APPLIED CATALYSIS A-GENERAL LA English DT Article DE NOx storage-reduction; lean NOx trap; Pt/K/Al2O3; monolith; regeneration; spatially resolved speciation; SpaciMS; water-gas shift reaction ID NOX-TRAP CATALYST; NO(X) STORAGE; STORED NOX; CO; OXIDATION; BEHAVIOR; ENGINES; RELEASE; SURFACE AB We employed a new experimental technique known as spatially resolved capillary-inlet mass spectrometry (SpaciMS) to observe the evolution of multiple species inside the channels of a monolithic NOx storage-reduction (NSR) catalyst. The NSR material consisted of a Pt/K/ Al2O3 washcoat deposited inside cordierite monolith channels. Spatially and temporally resolved measurements were made over the monolith length in a bench flow reactor during fast cycling between synthetic lean and rich environments at 200 and 300 degrees C. Regeneration was found to be very efficient at 300 degrees C regardless of whether pure H-2, pure CO, or mixtures of H-2 and CO were employed. At 200 degrees C, CO was noticeably less effective than H-2. We conjecture that at 200 degrees C CO may be inhibiting the regeneration process through its strong adsorption on Pt. Generation of H-2 by water-gas shift was seen at 300 degrees C but not at 200 degrees C. Published by Elsevier B.V. C1 Oak Ridge Natl Lab, Fuels Engines & Emmiss Res Ctr, Oak Ridge, TN 37831 USA. RP Choi, JS (reprint author), Oak Ridge Natl Lab, Fuels Engines & Emmiss Res Ctr, POB 2008,MS-6472, Oak Ridge, TN 37831 USA. EM choijs@ornl.gov OI Choi, Jae-Soon/0000-0002-8162-4207 NR 33 TC 64 Z9 64 U1 0 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0926-860X J9 APPL CATAL A-GEN JI Appl. Catal. A-Gen. PD SEP 28 PY 2005 VL 293 BP 24 EP 40 DI 10.1016/j.apcata.2005.06.025 PG 17 WC Chemistry, Physical; Environmental Sciences SC Chemistry; Environmental Sciences & Ecology GA 972EF UT WOS:000232436200003 ER PT J AU Shamsi, A Baltrus, JR Spivey, JJ AF Shamsi, A Baltrus, JR Spivey, JJ TI Characterization of coke deposited on Pt/alumina catalyst during reforming of liquid hydrocarbons SO APPLIED CATALYSIS A-GENERAL LA English DT Article DE catalyst; reforming; fuel processing; carbon ID PLATINUM CATALYSTS; HYDROGEN TREATMENT; FUEL-CELLS; STEAM; DEACTIVATION; TEMPERATURE; COKING; REGENERATION; OXIDATION; CHEMISTRY AB Temperature-programmed oxidation (TPO), Raman spectrometry, and X-ray photoelectron spectroscopy (XPS) are used to characterize coke species deposited on a 0.61 wt% Pt/alumina catalyst for three reactions, carried out separately: partial oxidation (POX), steam reforming (SR), and autothermal reforming (ATR). Three individual compounds were used as simulants of liquid fuels in each of these three reactions: tetradecane, decalin, and 1-methylnaphthalene. The TPO profiles of the coke showed that partial oxidation and steam reforming resulted in generally greater coke deposition than autothermal reforming for each of the fuels. 1-Methylnaphthalene produces more coke than the other fuels in each of the reactions. Coke appears to be deposited both on the metal and the support, with the coke on the metal being more easily oxidized by TPO. Raman spectroscopy shows that there is no significant change in the carbon crystallite size on any of the catalysts; all are within the range of 1.45-1.83 nm. XPS analysis of carbon deposited during partial oxidation of tetradecane shows that small amounts of graphitic carbon (C/Al ratio < 0.10) remain even after treatment in oxygen for 15 min at 600 degrees C. (c) 2005 Elsevier B.V. All rights reserved. C1 US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. Louisiana State Univ, Dept Chem Engn, Baton Rouge, LA 70803 USA. RP Shamsi, A (reprint author), US DOE, Natl Energy Technol Lab, POB 880, Morgantown, WV 26507 USA. EM ashams@netl.doe.gov NR 34 TC 87 Z9 89 U1 1 U2 26 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0926-860X J9 APPL CATAL A-GEN JI Appl. Catal. A-Gen. PD SEP 28 PY 2005 VL 293 BP 145 EP 152 DI 10.1016/j.apcata.2005.07.002 PG 8 WC Chemistry, Physical; Environmental Sciences SC Chemistry; Environmental Sciences & Ecology GA 972EF UT WOS:000232436200016 ER PT J AU Kalogeraki, VS Tornaletti, S Cooper, PK Hanawalt, PC AF Kalogeraki, VS Tornaletti, S Cooper, PK Hanawalt, PC TI Comparative TFIIS-mediated transcript cleavage by mammalian RNA polymerase II arrested at a lesion in different transcription systems SO DNA REPAIR LA English DT Article DE transcription; transcription-coupled repair; UV photoproducts; transcription factor SII ID ELONGATION-FACTOR-SII; CYCLOBUTANE PYRIMIDINE DIMER; LATE ATTENUATION SITE; NASCENT RNA; STRUCTURAL BASIS; DNA HYBRID; DEPENDENT TRANSCRIPTION; INITIATION COMPLEX; TERNARY COMPLEXES; INTRINSIC BLOCKS AB Upon prolonged arrest at a cyclobutane pyrimidine dimer (CPD), RNAPII can reverse-translocate, misaligning the 3 '-end of the RNA from its active site. Transcription factor SII (TFIIS) is required for cleavage of the disengaged 3 '-end and restoration of its correct positioning. We have previously shown in vitro that when RNAPII is arrested at a CPD, TFIIS-induced cleavage results in shortened transcripts. Here, we hypothesized that the pattern of transcript cleavage does not depend solely upon TFIIS itself, but also on some other general transcription factors (GTFs) and/or their effects on RNAPII. To test this hypothesis we compared three in vitro transcription systems which differ with respect to the mode of initiation and the requirement for GTFs. The first consisted of RNAPII and GTFs from rat liver, and required a eukaryotic promoter for initiation. The other two supported transcription in the absence of any GTFs or promoter sequences. In each case, a CPD on the transcribed strand was a complete block for RNAPII translocation. However, the effect of TFIIS on transcript cleavage varied. In the promoter-initiated system, distinct transcripts up to about 20 nucleotides shorter than the uncleaved original one were produced. In the other two systems, the transcripts were degraded nearly completely. Introduction of GTFs partially interfered with cleavage, but failed to reproduce the pattern of transcript lengths observed with the promoter-initiated system. Our results suggest that the extent of TFIIS-mediated transcript cleavage is a well-orchestrated process, depending upon other factors (or their effects on RNAPII), in addition to TFIIS itself. (c) 2005 Elsevier B.V. All rights reserved. C1 Stanford Univ, Dept Biol Sci, Stanford, CA 94305 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Hanawalt, PC (reprint author), Stanford Univ, Dept Biol Sci, 371 Serra MA2, Stanford, CA 94305 USA. EM hanawalt@stanford.edu FU NCI NIH HHS [CA63503, CA77712] NR 58 TC 10 Z9 11 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1568-7864 J9 DNA REPAIR JI DNA Repair PD SEP 28 PY 2005 VL 4 IS 10 BP 1075 EP 1087 DI 10.1016/j.dnarep.2005.05.007 PG 13 WC Genetics & Heredity; Toxicology SC Genetics & Heredity; Toxicology GA 972BP UT WOS:000232429100004 PM 16046193 ER PT J AU Hansen, J Sato, M Ruedy, R Nazarenko, L Lacis, A Schmidt, GA Russell, G Aleinov, I Bauer, M Bauer, S Bell, N Cairns, B Canuto, V Chandler, M Cheng, Y Del Genio, A Faluvegi, G Fleming, E Friend, A Hall, T Jackman, C Kelley, M Kiang, N Koch, D Lean, J Lerner, J Lo, K Menon, S Miller, R Minnis, P Novakov, T Oinas, V Perlwitz, J Perlwitz, J Rind, D Romanou, A Shindell, D Stone, P Sun, S Tausnev, N Thresher, D Wielicki, B Wong, T Yao, M Zhang, S AF Hansen, J Sato, M Ruedy, R Nazarenko, L Lacis, A Schmidt, GA Russell, G Aleinov, I Bauer, M Bauer, S Bell, N Cairns, B Canuto, V Chandler, M Cheng, Y Del Genio, A Faluvegi, G Fleming, E Friend, A Hall, T Jackman, C Kelley, M Kiang, N Koch, D Lean, J Lerner, J Lo, K Menon, S Miller, R Minnis, P Novakov, T Oinas, V Perlwitz, J Perlwitz, J Rind, D Romanou, A Shindell, D Stone, P Sun, S Tausnev, N Thresher, D Wielicki, B Wong, T Yao, M Zhang, S TI Efficacy of climate forcings SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Review ID GENERAL-CIRCULATION MODEL; STRATOSPHERIC WATER-VAPOR; LAND-COVER CHANGE; BLACK CARBON; GREENHOUSE-GAS; OZONE CHANGES; TROPOSPHERIC OZONE; RADIATIVE FORCINGS; SEA-ICE; MARINE STRATOCUMULUS AB [1] We use a global climate model to compare the effectiveness of many climate forcing agents for producing climate change. We find a substantial range in the "efficacy'' of different forcings, where the efficacy is the global temperature response per unit forcing relative to the response to CO2 forcing. Anthropogenic CH4 has efficacy similar to 110%, which increases to similar to 145% when its indirect effects on stratospheric H2O and tropospheric O-3 are included, yielding an effective climate forcing of similar to 0.8 W/m(2) for the period 1750 - 2000 and making CH4 the largest anthropogenic climate forcing other than CO2. Black carbon (BC) aerosols from biomass burning have a calculated efficacy similar to 58%, while fossil fuel BC has an efficacy similar to 78%. Accounting for forcing efficacies and for indirect effects via snow albedo and cloud changes, we find that fossil fuel soot, defined as BC + OC ( organic carbon), has a net positive forcing while biomass burning BC + OC has a negative forcing. We show that replacement of the traditional instantaneous and adjusted forcings, Fi and Fa, with an easily computed alternative, Fs, yields a better predictor of climate change, i.e., its efficacies are closer to unity. Fs is inferred from flux and temperature changes in a fixed-ocean model run. There is remarkable congruence in the spatial distribution of climate change, normalized to the same forcing Fs, for most climate forcing agents, suggesting that the global forcing has more relevance to regional climate change than may have been anticipated. Increasing greenhouse gases intensify the Hadley circulation in our model, increasing rainfall in the Intertropical Convergence Zone (ITCZ), Eastern United States, and East Asia, while intensifying dry conditions in the subtropics including the Southwest United States, the Mediterranean region, the Middle East, and an expanding Sahel. These features survive in model simulations that use all estimated forcings for the period 1880 - 2000. Responses to localized forcings, such as land use change and heavy regional concentrations of BC aerosols, include more specific regional characteristics. We suggest that anthropogenic tropospheric O-3 and the BC snow albedo effect contribute substantially to rapid warming and sea ice loss in the Arctic. As a complement to a priori forcings, such as Fi, Fa, and Fs, we tabulate the a posteriori effective forcing, Fe, which is the product of the forcing and its efficacy. Fe requires calculation of the climate response and introduces greater model dependence, but once it is calculated for a given amount of a forcing agent it provides a good prediction of the response to other forcing amounts. C1 NASA, Goddard Inst Space Studies, New York, NY 10025 USA. Columbia Univ, Earth Inst, New York, NY 10025 USA. SGT Inc, New York, NY 10025 USA. Columbia Univ, Dept Earth & Environm Sci, New York, NY 10025 USA. Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10025 USA. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Orme Merisiers, Lab Sci Climat & Environm, F-91198 Gif Sur Yvette, France. Yale Univ, Dept Geol, New Haven, CT USA. USN, Res Lab, Washington, DC 20375 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NASA, Langley Res Ctr, Hampton, VA 23681 USA. MIT, Ctr Meteorol, Cambridge, MA 02139 USA. RP NASA, Goddard Inst Space Studies, New York, NY 10025 USA. EM jhansen@giss.nasa.gov RI Del Genio, Anthony/D-4663-2012; Perlwitz, Judith/B-7201-2008; Miller, Ron/E-1902-2012; LU, C/C-6598-2008; Lacis, Andrew/D-4658-2012; Jackman, Charles/D-4699-2012; Minnis, Patrick/G-1902-2010; Unger, Nadine/M-9360-2015; Shindell, Drew/D-4636-2012; Schmidt, Gavin/D-4427-2012 OI Del Genio, Anthony/0000-0001-7450-1359; Perlwitz, Judith/0000-0003-4061-2442; Minnis, Patrick/0000-0002-4733-6148; Schmidt, Gavin/0000-0002-2258-0486 NR 174 TC 695 Z9 706 U1 19 U2 51 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 SEP 28 PY 2005 VL 110 IS D18 AR D18104 DI 10.1029/2005JD005776 PG 45 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 971PP UT WOS:000232396700004 ER PT J AU Banci, L Benvenuti, M Bertini, I Cabelli, DE Calderone, V Fantoni, A Mangani, S Migliardi, M Viezzoli, MS AF Banci, L Benvenuti, M Bertini, I Cabelli, DE Calderone, V Fantoni, A Mangani, S Migliardi, M Viezzoli, MS TI From an inactive prokaryotic SOD homologue to an active protein through site-directed mutagenesis SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID CU,ZN SUPEROXIDE-DISMUTASE; CRYSTALLOGRAPHIC CHARACTERIZATION; ELECTROSTATIC RECOGNITION; ESCHERICHIA-COLI; AQUEOUS-SOLUTION; COPPER; ZINC; ENZYME; MUTANTS; CRYSTAL AB It is known that several prokaryotic protein sequences, characterized by high homology with the eukaryotic Cu,ZnSODs, lack some of the metal ligands. In the present work, we have stepwise reintroduced the two missing copper ligands in the SOD-like protein of Bacillus subtilis, through site-directed mutagenesis. The mutant with three out of the four His that bind copper is not active, whereas the fully reconstituted mutant displays an activity of about 10% that of human Cu,ZnSOD. The mutated proteins have been characterized in solution and in the solid state. In solution, the proteins experience conformational disorder, which is believed to be partly responsible for the decreased enzymatic activity and sheds light on the tendency of several human SOD mutants to introduce mobility in the protein frame. In the crystal, on the contrary, the protein has a well-defined conformation, giving rise to dimers through the coordination of an exogenous zinc ion. The catalytic properties of the double mutant, which might be regarded as a step in an artificial evolution from a nonactive SOD to a fully functioning enzyme, are discussed on the basis of the structural and dynamical properties. C1 Univ Florence, Dept Chem, I-50019 Sesto Fiorentino, Florence, Italy. Univ Florence, Ctr Risonanze Magnet, I-50019 Sesto Fiorentino, Florence, Italy. Univ Siena, Dept Chem, I-53100 Siena, Italy. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Bertini, I (reprint author), Univ Florence, Dept Chem, Via Luigi Sacconi 6, I-50019 Sesto Fiorentino, Florence, Italy. EM ivanobertini@cerm.unifi.it RI Calderone, Vito/A-2917-2014 OI Calderone, Vito/0000-0002-7963-6241 NR 50 TC 5 Z9 6 U1 3 U2 8 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 SEP 28 PY 2005 VL 127 IS 38 BP 13287 EP 13292 DI 10.1021/ja052790o PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 968OC UT WOS:000232170800059 PM 16173759 ER PT J AU Chen, HT Huh, S Wiench, JW Pruski, M Lin, VSY AF Chen, HT Huh, S Wiench, JW Pruski, M Lin, VSY TI Dialkylaminopyridine-functionalized mesoporous silica nanosphere as an efficient and highly stable heterogeneous nucleophilic catalyst SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID BAYLIS-HILLMAN REACTION; ANGLE-SPINNING NMR; BOUND 4-(N-BENZYL-N-METHYLAMINO)PYRIDINE; ACYLATION CATALYSTS; ORGANIC-SYNTHESIS; AQUEOUS-MEDIUM; DMAP; 4-(DIALKYLAMINO)PYRIDINES; AMINOPYRIDINES; REACTIVITY AB A new nucleophilic catalytic system comprised of dialkylaminopyridine-functionalized mesoporous silica nanosphere (DMAP-MSN) has been synthesized and characterized. We have demonstrated that this material is an efficient heterogeneous catalyst for Baylis-Hillman, acylation, and silylation reactions with good reactivity, product selectivity, and recyclability. We envision that this DMAP-functionalized mesoporous silica material can also serve as an effective heterogeneous catalyst for many other catalytic nucleophilic reactions. C1 Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. RP Lin, VSY (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM vsylin@iastate.edu RI HUH, SEONG/E-5192-2011; OI Huh, Seong/0000-0001-7894-8422 NR 35 TC 122 Z9 123 U1 2 U2 31 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 SEP 28 PY 2005 VL 127 IS 38 BP 13305 EP 13311 DI 10.1021/ja0524898 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 968OC UT WOS:000232170800062 PM 16173762 ER PT J AU Sun, YK Myung, ST Kim, MH Prakash, J Amine, K AF Sun, YK Myung, ST Kim, MH Prakash, J Amine, K TI Synthesis and characterization of Li[(Ni0.8Co0.1Mn0.1)(0.8)(Ni0.5Mn0.5)(0.2)]O-2 with the microscale core-shell structure as the positive electrode material for lithium batteries SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID CATHODE MATERIALS; ELECTROCHEMICAL-BEHAVIOR; HOLLOW SPHERES; RECHARGEABLE BATTERIES; INSERTION MATERIAL; ION BATTERIES; LINI1/2MN1/2O2; NANOPARTICLES; MICROSPHERES; LICOO2 AB The high capacity of Ni-rich Li[Ni1-xMx]O-2 (M = Co, Mn) is very attractive, if the structural instability and thermal properties are improved. Li[Ni0.5Mn0.5]O-2 has good thermal and structural stabilities, but it has a low capacity and rate capability relative to the Ni-rich Li[Ni1-xMx]O-2. We synthesized a spherical coreshell structure with a high capacity (from the Li[Ni0.8Co0.1Mn0.1]O-2 core) and a good thermal stability (from the Li[Ni0.5Mn0.5]O-2 shell). This report is about the microscale spherical core-shell structure, that is, Li[Ni0.8Co0.1Mn0.1]O-2 as the core and a Li[Ni0.5Mn0.5]O-2 as the shell. A high capacity was delivered from the Li[Ni0.8Co0.1Mn0.1]O-2 core, and a high thermal stability was achieved by the Li[Ni(0.5)Nn(0.5)]O-2 shell. The core-shell structured Li[(Ni0.8Co0.1Mn0.1)(0.8)(Ni0.5Mn0.5)(0.2)]O-2/carbon cell had a superior cyclability and thermal stability relative to the Li[Ni0.8Co0.1Mn0.1]O-2 at the 1 C rate for 500 cycles. The core-shell structured Li[(Ni0.8Co0.1Mn0.1)(0.8)(Ni0.5Mn0.5)(0.2)]O-2 as a new positive electrode material is a significant breakthrough in the development of high-capacity lithium batteries. C1 Hanyang Univ, Dept Chem Engn, Ctr Informat & Commun Mat, Seoul 133791, South Korea. Iwate Univ, Grad Sch Engn, Dept Frontier Mat & Funct Engn, Morioka, Iwate 0208551, Japan. IIT, Dept Chem & Environm Engn, Chicago, IL 60616 USA. Argonne Natl Lab, Div Chem Engn, Electrochem Technol Program, Argonne, IL 60439 USA. RP Sun, YK (reprint author), Hanyang Univ, Dept Chem Engn, Ctr Informat & Commun Mat, 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 32 TC 179 Z9 186 U1 27 U2 200 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 SEP 28 PY 2005 VL 127 IS 38 BP 13411 EP 13418 DI 10.1021/ja053675g PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 968OC UT WOS:000232170800075 PM 16173775 ER PT J AU Cai, YG Ocko, BM AF Cai, YG Ocko, BM TI Large-scale fabrication of protein nanoarrays based on nanosphere lithography SO LANGMUIR LA English DT Article ID MONOLAYERS; SURFACES; SILICON; CHEMISTRY; ARRAYS; NANOLITHOGRAPHY; NANOSTRUCTURES; MOLECULES; GOLD AB Hexagonally patterned lysozyme nanoarrays have been assembled on silicon wafers by combining nanosphere lithography and surface silane chemistry using vapor and solution deposition processes. The patterned protein regions extend over cm sized regions, and the size of each island is similar to 120 nm for the solution-prepared template and similar to 60 nm for the vapor-prepared template. Antibody test indicates that the patterned lysozyme maintains its bioactivity on the surface. This new approach offers a fast and reliable method to fabricate protein arrays over large areas with feature sizes comparable to scanning-probe based techniques. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Cai, YG (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM ycai@bnl.gov; ocko@bnl.gov NR 28 TC 53 Z9 55 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 SEP 27 PY 2005 VL 21 IS 20 BP 9274 EP 9279 DI 10.1021/la051656e PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 967GR UT WOS:000232080100044 PM 16171362 ER PT J AU Long, TM Simmons, BA McElhanon, JR Kline, SR Wheeler, DR Loy, DA Rahimian, K Zifer, T Jamison, GM AF Long, TM Simmons, BA McElhanon, JR Kline, SR Wheeler, DR Loy, DA Rahimian, K Zifer, T Jamison, GM TI Metathesis depolymerization for removable surfactant templates SO LANGMUIR LA English DT Article ID RING-CLOSING METATHESIS; MESOPOROUS MOLECULAR-SIEVES; OLEFIN METATHESIS; FERROCENYL SURFACTANTS; CLEAVABLE SURFACTANTS; AQUEOUS-SOLUTIONS; INTERFACIAL PROPERTIES; ACTIVE CONTROL; GEL SYNTHESIS; MCM-41 AB Current methodologies for the production of meso- and nanoporous materials include the use of a surfactant to produce a self-assembled template around which the material is formed. However, post-production surfactant removal often requires centrifugation, calcination, and/or solvent washing which can damage the initially formed material architecture(s). Surfactants that can be disassembled into easily removable fragments following material preparation would minimize processing damage to the material structure, facilitating formation of templated hybrid architectures. Herein, we describe the design and synthesis of novel cationic and anionic surfactants with regularly spaced unsaturation in their hydrophobic hydrocarbon tails and the first application of ring closing metathesis depolymerization to surfactant degradation resulting in the mild, facile decomposition of these new compounds to produce relatively volatile nonsurface active remnants. C1 Sandia Natl Labs, Elect Mat & Nanostructured Mat Dept, Albuquerque, NM 87185 USA. Sandia Natl Labs, Dept Chem Mat, Livermore, CA 94551 USA. Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA. Sandia Natl Labs, Micro Totoal Analyt Syst Dept, Albuquerque, NM 87185 USA. Univ Arizona, Dept Mat Sci & Engn, Tucson, AZ 85721 USA. RP Jamison, GM (reprint author), Sandia Natl Labs, Elect Mat & Nanostructured Mat Dept, POB 5800, Albuquerque, NM 87185 USA. EM gmjamis@sandia.gov RI Loy, Douglas/D-4847-2009; OI Loy, Douglas/0000-0001-7635-9958; Simmons, Blake/0000-0002-1332-1810 NR 69 TC 1 Z9 1 U1 0 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 SEP 27 PY 2005 VL 21 IS 20 BP 9365 EP 9373 DI 10.1021/la0514381 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 967GR UT WOS:000232080100057 PM 16171375 ER PT J AU Kazmirski, SL Zhao, YX Bowman, GD O'Donnell, M Kuriyan, J AF Kazmirski, SL Zhao, YX Bowman, GD O'Donnell, M Kuriyan, J TI Out-of-plane motions in open sliding clamps: Molecular dynamics simulations of eukaryotic and archaeal proliferating cell nuclear antigen SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE clamp loader; DNA replication; DNA sliding clamps; beta-sheet distortion; conformational transitions ID POLYMERASE-III HOLOENZYME; DNA-REPLICATION FORK; ESCHERICHIA-COLI; CRYSTAL-STRUCTURE; LOADER COMPLEX; BETA-SHEETS; PYROCOCCUS-FURIOSUS; STRUCTURAL-ANALYSIS; PROCESSIVITY FACTOR; PROTEIN AB Sliding clamps are ring-like multimeric proteins that encircle duplex DNA and serve as mobile DNA-bound platforms that are essential for efficient DNA replication and repair. Sliding clamps are placed on DNA by clamp loader complexes, in which the clamp-interacting elements are organized in a right-handed spiral assembly. To understand how the flat, ring-like clamps might interact with the spiral interaction surface of the clamp loader complex, we have performed molecular dynamics simulations of sliding clamps (proliferating cell nuclear antigen from the budding yeast, humans, and an archaeal species) in which we have removed one of the three subunits so as to release the constraint of ring closure. The simulations reveal significant structural fluctuations corresponding to lateral opening and out-of-plane distortions of the clamp, which result principally from bending and twisting of the beta-sheets that span the intermolecular interfaces, with smaller but similar contributions from beta-sheets that span the intramolecular interfaces within each subunit. With the integrity of these beta-sheets intact, the predominant fluctuations seen in the simulations are oscillations between lateral openings and right-handed spirals. The tendency for clamps to adopt a right-handed spiral conformation implies that once opened, the conformation of the clamp can easily match the spiraling of clamp loader subunits, a feature that is intrinsic to the recognition of DNA and subsequent hydrolysis of ATP by the clamp-bound clamp loader complex. C1 Univ Calif Berkeley, Howard Hughes Med Inst, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. Univ Calif Berkeley, Howard Hughes Med Inst, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. Rockefeller Univ, Howard Hughes Med Inst, New York, NY 10021 USA. RP Kuriyan, J (reprint author), Univ Calif Berkeley, Howard Hughes Med Inst, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. EM kuriyan@berkeley.edu OI Zhao, Yanxiang/0000-0002-9408-9979; O'Donnell, Michael/0000-0001-9002-4214 FU NIGMS NIH HHS [F32 GM066586-01, F32 GM066586, F32 GM066586-02, GM38839, GM45547, R01 GM038839, R01 GM045547, R37 GM038839] NR 45 TC 46 Z9 46 U1 1 U2 2 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 SEP 27 PY 2005 VL 102 IS 39 BP 13801 EP 13806 DI 10.1073/pnas.0506430102 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 969KB UT WOS:000232231900019 PM 16169903 ER PT J AU Hu, YL Corbett, MC Fay, AW Webber, JA Hedman, B Hodgson, KO Ribbe, MW AF Hu, YL Corbett, MC Fay, AW Webber, JA Hedman, B Hodgson, KO Ribbe, MW TI Nitrogenase reactivity with P-cluster variants SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE MoFe protein; VFe protein ID IRON-MOLYBDENUM COFACTOR; DEFICIENT MOFE PROTEIN; AZOTOBACTER-VINELANDII; FEMO-COFACTOR; STREPTOMYCES-THERMOAUTOTROPHICUS; KLEBSIELLA-PNEUMONIAE; VANADIUM NITROGENASE; MUTATIONAL ANALYSIS; STRUCTURAL GENES; MICRO METHODS AB Nitrogenase is a multicomponent metalloenzyme that catalyzes the conversion of atmospheric dinitrogen to ammonia. For decades, it has been generally believed that the [8Fe-7S] P-cluster of nitrogenase component 1 is indispensable for nitrogenase activity. in this study, we identified two catalytically active P-cluster variants by activity assays, metal analysis, and EPR spectroscopic studies. Further, we showed that both P-cluster variants resemble [4Fe-4S]-like centers based on x-ray absorption spectroscopic experiments. We believe that our findings challenge the dogma that the standard P-cluster is the only cluster species capable of supporting substrate reduction at the FeMo cofactor and provide important insights into the general mechanism of nitrogenase catalysis and assembly. C1 Univ Calif Irvine, Dept Mol Biol & Biochem, Irvine, CA 92697 USA. Stanford Univ, Stanford Linear Accelerator Ctr, Dept Chem, Stanford, CA 94305 USA. Stanford Univ, Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Stanford, CA 94305 USA. RP Ribbe, MW (reprint author), Univ Calif Irvine, Dept Mol Biol & Biochem, Irvine, CA 92697 USA. EM mribbe@uci.edu FU NCRR NIH HHS [P41 RR001209, RR-01209]; NIGMS NIH HHS [R01 GM067626, GM-67626] NR 50 TC 23 Z9 23 U1 3 U2 10 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 SEP 27 PY 2005 VL 102 IS 39 BP 13825 EP 13830 DI 10.1073/pnas.0506967102 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 969KB UT WOS:000232231900023 PM 16166259 ER PT J AU Friedel, RHW Bourdarie, S Cayton, TE AF Friedel, RHW Bourdarie, S Cayton, TE TI Intercalibration of magnetospheric energetic electron data SO SPACE WEATHER-THE INTERNATIONAL JOURNAL OF RESEARCH AND APPLICATIONS LA English DT Article ID MODEL; PARTICLE; FIELD AB [1] The highly energetic electron environment in the inner magnetosphere ( geosynchronous orbit and inward) has received a lot of interest recently, as it becomes increasingly evident that existing statistical models such as AE-8 do not capture the range of environmental conditions that exist nor their variability over periods of a solar cycle. Understanding this environment has obvious engineering applications to systems designed to fly in geosynchronous and medium Earth orbits. The detailed understanding of the physics governing the dynamics of highly energetic electrons is a further topic of active research that will eventually lead to global physics-based models capable of now casting or forecasting this environment. For both the development of new statistical models and for the research into the dynamics of highly energetic electrons, the availability of global, well-intercalibrated data is of fundamental importance. We currently have a wealth of inner magnetospheric energetic electron data. This paper presents the current "state of the art'' of intercalibrating data from the CRRES, Los Alamos National Laboratory (LANL) GPS, and LANL geosynchronous and Polar energetic electron instruments, covering the period of 1976 to the present ( three full solar cycles). C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Off Natl Etud & Rech Aerosp, Dept Environm Spatial, Ctr Etud & Rech Toulouse, F-31055 Toulouse, France. RP Friedel, RHW (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM friedel@lanl.gov; sebastien.bourdarie@onecert.fr; tcayton@lanl.gov RI Friedel, Reiner/D-1410-2012 OI Friedel, Reiner/0000-0002-5228-0281 NR 17 TC 36 Z9 36 U1 0 U2 2 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1542-7390 J9 SPACE WEATHER JI Space Weather PD SEP 27 PY 2005 VL 3 IS 9 AR S09B04 DI 10.1029/2005SW000153 PG 13 WC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology & Atmospheric Sciences SC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology & Atmospheric Sciences GA 973ZG UT WOS:000232560500001 ER PT J AU Arenholz, E Liu, K AF Arenholz, E Liu, K TI Angular dependence of the magnetization reversal in exchange-biased Fe/MnF2 SO APPLIED PHYSICS LETTERS LA English DT Article ID BILAYERS; COERCIVITY; ANISOTROPY AB A detailed study of exchange-biased Fe/MnF2 bilayers using magneto-optical Kerr effect shows that the magnetization reversal occurs almost fully through domain wall nucleation and propagation for external fields parallel to the exchange-bias direction. For finite angles phi between bias and external field, the magnetization is aligned perpendicular to the cooling-field direction for a limited field range for decreasing fields. For external fields perpendicular to the bias direction, the magnetization aligns with the cooling-field direction for descending and ascending fields before fully reversing. The field range for which the magnetization is close to perpendicular to the external field can be estimated using a simple effective-field model. (C) 2005 American Institute of Physics. C1 Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. RP Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RI Liu, Kai/B-1163-2008 OI Liu, Kai/0000-0001-9413-6782 NR 15 TC 16 Z9 16 U1 0 U2 4 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 SEP 26 PY 2005 VL 87 IS 13 AR 132501 DI 10.1063/1.2058207 PG 3 WC Physics, Applied SC Physics GA 966ZB UT WOS:000232060200032 ER PT J AU de Jonge, N Allioux, M Oostveen, JT Teo, KBK Milne, WI AF de Jonge, N Allioux, M Oostveen, JT Teo, KBK Milne, WI TI Low noise and stable emission from carbon nanotube electron sources SO APPLIED PHYSICS LETTERS LA English DT Article ID GROWTH AB Remarkably stable and low noise field-emission electron sources have been obtained using individual carbon nanotubes. The maximum current fluctuation observed over 1 h was merely 0.5% and the emission frequency spectrum exhibited 1/f behavior over a bandwidth of 0.1-25 Hz, above which the shot-noise limit was reached. The average noise percentage was determined to be 0.08% (i.e., a signal-to-noise ratio of 1250) for seven CNT emitters operated at several current levels. The influence of the vacuum level was also investigated. (C) 2005 American Institute of Physics. C1 Philips Res, NL-5656 AA Eindhoven, Netherlands. Univ Cambridge, Dept Engn, Cambridge CB2 1PZ, England. RP de Jonge, N (reprint author), Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. EM dejongen@ornl.gov RI de Jonge, Niels/B-5677-2008 NR 18 TC 23 Z9 23 U1 1 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD SEP 26 PY 2005 VL 87 IS 13 AR 133118 DI 10.1063/1.2058225 PG 3 WC Physics, Applied SC Physics GA 966ZB UT WOS:000232060200056 ER PT J AU Ishizumi, A Matsuda, K Saiki, T White, CW Kanemitsu, Y AF Ishizumi, A Matsuda, K Saiki, T White, CW Kanemitsu, Y TI Photoluminescence properties of single Mn-doped CdS nanocrystals studied by scanning near-field optical microscopy SO APPLIED PHYSICS LETTERS LA English DT Article ID SEQUENTIAL ION-IMPLANTATION; SEMICONDUCTOR NANOCRYSTALS; BEAM SYNTHESIS; ZNS AB We have fabricated Mn-doped CdS (CdS:Mn) nanocrystals embedded in Al(2)O(3) matrices by sequential ion implantation and studied their photoluminescence (PL) properties by a scanning near-field optical microscope (SNOM). In the PL spectra of CdS:Mn nanocrystals measured by the SNOM, several sharp PL lines and a broad PL band were observed. The sharp PL lines are related to bound excitons at shallow impurities in CdS nanocrystals. The Mn-related PL spectrum is very broad even in single nanocrystals at low temperatures, and both the peak energy and the spectral width of the PL band depend on the excitation laser intensity. The PL properties of single CdS:Mn nanocrystals are discussed. (C) 2005 American Institute of Physics. C1 Kyoto Univ, Chem Res Inst, Kyoto 6110011, Japan. Nara Inst Sci & Technol, Grad Sch Mat Sci, Nara 6300192, Japan. Kanagawa Acad Sci & Technol, Kawasaki, Kanagawa 2130012, Japan. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. RP Kanemitsu, Y (reprint author), Kyoto Univ, Chem Res Inst, Kyoto 6110011, Japan. EM kanemitu@scl.kyoto-u.ac.jp NR 18 TC 25 Z9 26 U1 1 U2 19 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD SEP 26 PY 2005 VL 87 IS 13 AR 133104 DI 10.1063/1.2058228 PG 3 WC Physics, Applied SC Physics GA 966ZB UT WOS:000232060200042 ER PT J AU Jun, SI Rack, PD McKnight, TE Melechko, AV Simpson, ML AF Jun, SI Rack, PD McKnight, TE Melechko, AV Simpson, ML TI Direct-current substrate bias effects on amorphous silicon sputter-deposited films for thin film transistor fabrication SO APPLIED PHYSICS LETTERS LA English DT Article ID TEMPERATURE AB The effect that direct current (dc) substrate bias has on radio frequency-sputter-deposited amorphous silicon (a-Si) films has been investigated. The substrate bias produces a denser a-Si film with fewer defects compared to unbiased films. The reduced number of defects results in a higher resistivity because defect-mediated conduction paths are reduced. Thin film transistors (TFTs) that were completely sputter deposited were fabricated and characterized. The TFT with the biased a-Si film showed lower leakage (off-state) current, higher on/off current ratio, and higher transconductance (field effect mobility) than the TFT with the unbiased a-Si film. (C) 2005 American Institute of Physics. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Mol Scale Engn & Nanoscale Technol Res Grp, Oak Ridge, TN 37831 USA. RP Jun, SI (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM sjun3@utk.edu RI Melechko, Anatoli/B-8820-2008; Simpson, Michael/A-8410-2011; McKnight, Tim/H-3087-2011 OI Simpson, Michael/0000-0002-3933-3457; McKnight, Tim/0000-0003-4326-9117 NR 8 TC 9 Z9 9 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 SEP 26 PY 2005 VL 87 IS 13 AR 132108 DI 10.1063/1.2061860 PG 3 WC Physics, Applied SC Physics GA 966ZB UT WOS:000232060200031 ER PT J AU Liu, J Huo, QS AF Liu, J Huo, QS TI Self-assembled nanoporous electrodes for sensitive and labeling-free biomolecular recognition SO APPLIED PHYSICS LETTERS LA English DT Article ID FILMS; DNA AB We fabricated nanoporous electrodes with uniform pore sizes using surfactant self-assembly techniques. These nanoporous electrodes were functionalized. When the target biomolecules are captured in the pore channels through specific binding or hybridization, the nanopores are totally or partially blocked. As a result, the access of indicator molecules to the conductive surface of the electrode is affected, and the electrochemical response on the electrode is reduced. This mechanism is sensitive to the presence of nanomole (10(-9) mole) to femtomole (10(-15) mole) level molecules and has potential as a simple, general, and labeling-free technique for electrochemical biomolecular recognition. (C) 2005 American Institute of Physics. C1 Sandia Natl Labs, Dept Elect Mat & Nanostruct Mat, Albuquerque, NM 87185 USA. RP Liu, J (reprint author), Sandia Natl Labs, Dept Elect Mat & Nanostruct Mat, POB 5800, Albuquerque, NM 87185 USA. EM jliu@sandia.gov NR 23 TC 2 Z9 2 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 SEP 26 PY 2005 VL 87 IS 13 AR 133902 DI 10.1063/1.2072739 PG 3 WC Physics, Applied SC Physics GA 966ZB UT WOS:000232060200067 ER PT J AU Shao, L Wang, YQ Lee, JK Nastasi, M Thompson, PE Theodore, ND Mayer, JW AF Shao, L Wang, YQ Lee, JK Nastasi, M Thompson, PE Theodore, ND Mayer, JW TI A technique to study the lattice location of hydrogen atoms in silicon by channeling elastic recoil detection analysis SO APPLIED PHYSICS LETTERS LA English DT Article AB By combining elastic recoil detection analysis with the channeling technique, energy analysis of forward-scattered H-1 permits determination of the H-1 lattice location. We have used this technique to study the lattice location of hydrogen in a crystalline Si containing a buried boron-doped layer. We showed that hydrogen atoms are trapped at the boron-doped Si layer after hydrogenation and that the majority of the trapped hydrogen atoms are located near bond-center sites. (C) 2005 American Institute of Physics. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. USN, Res Lab, Washington, DC 20375 USA. Freescale Semicond Inc, Adv Prod Res & Dev Lab, Tempe, AZ 85284 USA. Arizona State Univ, Dept Chem & Mat Engn, Tempe, AZ 85287 USA. RP Shao, L (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM lshao@mailaps.org NR 13 TC 2 Z9 2 U1 0 U2 0 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 SEP 26 PY 2005 VL 87 IS 13 AR 131901 DI 10.1063/1.2058200 PG 3 WC Physics, Applied SC Physics GA 966ZB UT WOS:000232060200012 ER PT J AU Zhang, YF Russo, RE Mao, SS AF Zhang, YF Russo, RE Mao, SS TI Femtosecond laser assisted growth of ZnO nanowires SO APPLIED PHYSICS LETTERS LA English DT Article ID SEMICONDUCTOR NANOWIRES; NANOLASERS AB Crystalline ZnO nanowires were grown by the pulsed laser deposition (PLD) approach using a femtosecond laser as the ablation source. As determined by electron microscopy, the femtosecond PLD grown ZnO nanowires showed good crystalline characteristics and reasonably uniform diameters, which can be attributed to the homogeneity of femtosecond laser produced precursor vapor in which micron sized particulates are minimal. Photoluminescence spectroscopy measurements indicated a low threshold for lasing at room temperature. In addition, we examined the influence of oxygen partial pressure during the PLD growth process on the morphology and photoluminescence property of ZnO nanowires. (C) 2005 American Institute of Physics. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. RP Mao, SS (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM ssmao@lbl.gov NR 16 TC 69 Z9 69 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 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD SEP 26 PY 2005 VL 87 IS 13 AR 133115 DI 10.1063/1.2061858 PG 3 WC Physics, Applied SC Physics GA 966ZB UT WOS:000232060200053 ER PT J AU Zhong, JX Stocks, GM AF Zhong, JX Stocks, GM TI Morphological evolution of metal nanoparticles on surfaces of carbon nanotubes SO APPLIED PHYSICS LETTERS LA English DT Article ID NANOWIRES; PLATINUM; CATALYST AB We propose a model to elucidate the morphological evolution of metal nanoparticles grown on surfaces of carbon nanotubes. The model is based on the concept of bending-strain-induced self-organization of nanoparticles on curved surfaces. Criteria are derived within the continuum elasticity theory for predicting the size and shape of metal nanoparticles. Applications of these criteria to different metals show good agreement with experimental results. (C) 2005 American Institute of Physics. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Zhong, JX (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM Zhongjn@ornl.gov RI Stocks, George Malcollm/Q-1251-2016 OI Stocks, George Malcollm/0000-0002-9013-260X NR 18 TC 7 Z9 9 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 SEP 26 PY 2005 VL 87 IS 13 AR 133105 DI 10.1063/1.2067692 PG 3 WC Physics, Applied SC Physics GA 966ZB UT WOS:000232060200043 ER PT J AU Bontchev, RP Moore, RC AF Bontchev, RP Moore, RC TI Crystal structure and aqueous solubility of ammonium D-glucarate SO CARBOHYDRATE RESEARCH LA English DT Article DE crystal structure; ammonium; glucarate; saccharate; aqueous solubility ID ACID; ISOSACCHARATE; DERIVATIVES; IONS AB Ammonium D-glucarate, NH4(C6H9O8) [ammonium D-saccharate, NH4-SAC], has been synthesized, and its crystal structure solved by single-crystal X-ray diffraction methods. NH4-SAC crystallizes in the monoclinic space group P2(1) (#4) with cell parameters a = 4.8350(4) angstrom, b = 11.0477(8) angstrom, c = 16.7268(12) angstrom, beta = 90.973(1)degrees, V= 894.34(12) angstrom(3), Z = 3. The structure was refined by full-matrix least-squares on F-2 yielding final R-values (all data) R1 = 0.0353 and R(w)2 = 0.0870. The structure consists of alternating (NH4)(+) and (C6H11O6)(-) layers parallel to the be plane. An extended network of N-H center dot center dot center dot O-SAC and O-SAC-H center dot center dot center dot O-SAC hydrogen bonds provide the 3-D connectivity. The aqueous solubility (S-w) has been shown to be pH independent at ambient conditions within the range 4.5 < pH < 10 with S-w = 2.19 M/L, whose value is about a factor of two lower than that of the ammonium isosaccharate analogue. (C) 2005 Elsevier Ltd. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Bontchev, RP (reprint author), Sandia Natl Labs, POB 5800,MS 0779, Albuquerque, NM 87185 USA. EM rpbontc@sandia.gov NR 21 TC 4 Z9 4 U1 2 U2 5 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0008-6215 J9 CARBOHYD RES JI Carbohydr. Res. PD SEP 26 PY 2005 VL 340 IS 13 BP 2195 EP 2200 DI 10.1016/j.carres.2005.06.030 PG 6 WC Biochemistry & Molecular Biology; Chemistry, Applied; Chemistry, Organic SC Biochemistry & Molecular Biology; Chemistry GA 962YX UT WOS:000231770600014 PM 16043161 ER PT J AU Lightstone, JM Patterson, MJ White, MG AF Lightstone, JM Patterson, MJ White, MG TI Reactivity of the M4S6+ (M = Mo, W) cluster with CO and NH3 in the gas-phase: An experimental and DFT study SO CHEMICAL PHYSICS LETTERS LA English DT Article ID MOLYBDENUM SULFIDE; NANOPARTICLES; NANOTUBES; GROWTH; NANOCLUSTERS; WS2 AB Gas-phase MxSy+ (M = Mo, W) cluster ions were generated by reactive sputtering using a magnetron cluster source. Adsorption of CO and NH3 were used to confirm the stoichiometry of the more prominent MxSy+ (M = Mo, W) clusters. For the most abundant M4S6+ cluster, the adsorption experiments are consistent with a calculated structure in which the metal atoms are arranged in an internal tetrahedron surrounded by bridging S-atoms. Binding energies for the consecutive addition of CO and NH3 were also calculated and found to be consistent with the observed cluster adduct stability. (c) 2005 Elsevier B.V. All rights reserved. C1 SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP White, MG (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM mgwhite@bnl.gov NR 20 TC 13 Z9 13 U1 4 U2 17 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 SEP 26 PY 2005 VL 413 IS 4-6 BP 429 EP 433 DI 10.1016/j.cplett.2005.07.109 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 967MB UT WOS:000232094200034 ER PT J AU Ponomarenko, SA Roychowdhury, H Wolf, E AF Ponomarenko, SA Roychowdhury, H Wolf, E TI Physical significance of complete spatial coherence of optical fields SO PHYSICS LETTERS A LA English DT Article AB We show that complete coherence of light fluctuations at two points in a statistically stationary optical field implies that the fluctuations are either identical or are proportional to each other, a property which may be called statistical similarity. In particular for light to be completely coherent it need not be monochromatic nor do the fluctuations need to be deterministic. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Rochester, Dept Phys & Astron, Rochester, NY 14627 USA. Univ Rochester, Inst Opt, Rochester, NY 14627 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Univ Rochester, Inst Opt, Rochester, NY 14627 USA. Univ Cent Florida, CREOL, Sch Opt, Orlando, FL 32816 USA. RP Wolf, E (reprint author), Univ Rochester, Dept Phys & Astron, 601 Elmwood Ave, Rochester, NY 14627 USA. EM ewlupus@pas.rochester.edu NR 7 TC 16 Z9 18 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9601 J9 PHYS LETT A JI Phys. Lett. A PD SEP 26 PY 2005 VL 345 IS 1-3 BP 10 EP 12 DI 10.1016/j.physleta.2005.07.006 PG 3 WC Physics, Multidisciplinary SC Physics GA 967CY UT WOS:000232070300002 ER PT J AU Herring, G Kevrekidis, PG Carretero-Gonzalez, R Malomed, BA Frantzeskakis, DJ Bishop, AR AF Herring, G Kevrekidis, PG Carretero-Gonzalez, R Malomed, BA Frantzeskakis, DJ Bishop, AR TI Trapped bright matter-wave solitons in the presence of localized inhomogeneities SO PHYSICS LETTERS A LA English DT Article ID BOSE-EINSTEIN CONDENSATION; DARK SOLITONS; NOBEL LECTURE; ATOM OPTICS; SYSTEMS; GAS; DYNAMICS; CHIP; FLOW AB We examine the dynamics of a bright solitary wave in the presence of a repulsive or attractive localized "impurity" in Bose-Einstein condensates (BECs). We study the generation and stability of a pair of steady states in the vicinity of the impurity as the impurity strength is varied. These two new steady states, one stable and one unstable, disappear through a saddle-node bifurcation as the strength of the impurity is decreased. Soliton dynamics is also studied, including cases where the soliton is offset from one of the relevant fixed points. The numerical results are corroborated by theoretical calculations which are in very good agreement with the numerical findings. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Athens, Dept Phys, Athens 15784, Greece. Univ Massachusetts, Dept Math & Stat, Amherst, MA 01003 USA. San Diego State Univ, Dept Math & Stat, Nonlinear Dynam Syst Grp, San Diego, CA 92182 USA. Tel Aviv Univ, Dept Interdisciplinary Studies, IL-69978 Tel Aviv, Israel. Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Frantzeskakis, DJ (reprint author), Univ Athens, Dept Phys, Panepistimiopolis, Athens 15784, Greece. EM dfrantz@cc.uoa.gr NR 48 TC 21 Z9 21 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9601 J9 PHYS LETT A JI Phys. Lett. A PD SEP 26 PY 2005 VL 345 IS 1-3 BP 144 EP 153 DI 10.1016/j.physleta.2005.07.008 PG 10 WC Physics, Multidisciplinary SC Physics GA 967CY UT WOS:000232070300017 ER PT J AU Durham, WB McKinnon, WB Stern, LA AF Durham, WB McKinnon, WB Stern, LA TI Cold compaction of water ice SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID SATELLITES; MIXTURES; KINETICS; PHYSICS AB Hydrostatic compaction of granulated water ice was measured in laboratory experiments at temperatures 77 K to 120 K. We performed step-wise hydrostatic pressurization tests on 5 samples to maximum pressures P of 150 MPa, using relatively tight (0.18-0.25 mm) and broad (0.25-2.0 mm) starting grain-size distributions. Compaction change of volume is highly nonlinear in P, typical for brittle, granular materials. No time-dependent creep occurred on the lab time scale. Significant residual porosity (similar to 0.10) remains even at highest P. Examination by scanning electron microscopy (SEM) reveals a random configuration of fractures and broad distribution of grain sizes, again consistent with brittle behavior. Residual porosity appears as smaller, well-supported micropores between ice fragments. Over the interior pressures found in smaller midsize icy satellites and Kuiper Belt objects (KBOs), substantial porosity can be sustained over solar system history in the absence of significant heating and resultant sintering. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Washington Univ, Dept Earth & Planetary Sci, St Louis, MO 63130 USA. US Geol Survey, Menlo Pk, CA 94025 USA. RP Durham, WB (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM durham1@llnl.gov NR 19 TC 24 Z9 24 U1 0 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 EI 1944-8007 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD SEP 23 PY 2005 VL 32 IS 18 AR L18202 DI 10.1029/2005GL023484 PG 5 WC Geosciences, Multidisciplinary SC Geology GA 968QO UT WOS:000232177400004 ER PT J AU Tseng, YH Dietrich, DE Ferziger, JH AF Tseng, YH Dietrich, DE Ferziger, JH TI Regional circulation of the Monterey Bay region: Hydrostatic versus nonhydrostatic modeling SO JOURNAL OF GEOPHYSICAL RESEARCH-OCEANS LA English DT Article ID CALIFORNIA CURRENT SYSTEM; OCEAN MODEL; SEASONAL VARIABILITY; LABORATORY MODEL; NUMERICAL-MODELS; BOUNDARY; DYNAMICS; TOPOGRAPHY; RESOLUTION; FLOW AB Ocean circulation off the west coast of the United States is driven by a variety of mechanisms, the most important of which are the seasonally varying local wind stress and coastal irregularities. Remote forcing is also important and expressed through the open boundary conditions. We use a nonhydrostatic, Dietrich/Center for Air-Sea Technology (DieCAST) ocean model to simulate the regional circulation in the vicinity of Monterey Bay, California. Satellite images often show a cyclonic eddy in the bay and an anticyclonic eddy outside the bay during spring and summer. We compare the simulation results with observed mooring and HF radar-derived velocity data. The coastal geometry plays an important role in the generation and movement of coastal eddies. Quantitative comparisons between hydrostatic and nonhydrostatic models are made to investigate the importance of the nonhydrostatic effects in coastal ocean simulation. The results show that both the Sur Ridge area and the Monterey Submarine Canyon contribute significantly to nonhydrostatic effects and small-scale features. The strong nonhydrostatic and small-scale features result from the California Undercurrent flows across sloping bathymetry and interactions with near-surface California Current in summer. Rapid changes in slope in the presence of strong flows cause vertical acceleration, which violates the hydrostatic approximation. Surface-trapped nonhydrostatic fronts also occur frequently in the shallow ocean during winter. These effects have seasonal variation and cannot be ignored in coastal ocean modeling with complex bathymetry. C1 Stanford Univ, Environm Fluid Mech Lab, Stanford, CA 94305 USA. AcuSea Inc, Albuquerque, NM 87112 USA. RP Tseng, YH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM yhtseng@lbl.gov OI Tseng, Yu-heng/0000-0002-4816-4974 NR 62 TC 20 Z9 20 U1 0 U2 2 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-OCEANS JI J. Geophys. Res.-Oceans PD SEP 23 PY 2005 VL 110 IS C9 AR C09015 DI 10.1029/2003JC002153 PG 21 WC Oceanography SC Oceanography GA 968RY UT WOS:000232181100001 ER PT J AU McCarney, ER Werner, JH Bernstein, SL Ruczinski, I Makarov, DE Goodwin, PM Plaxco, KW AF McCarney, ER Werner, JH Bernstein, SL Ruczinski, I Makarov, DE Goodwin, PM Plaxco, KW TI Site-specific dimensions across a highly denatured protein; a single molecule study SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE protein folding; lattice polymer simulations; denatured state; random coil; single molecule ID RESONANCE ENERGY-TRANSFER; RANDOM-COIL BEHAVIOR; FLUORESCENCE SPECTROSCOPY; GUANIDINE-HYDROCHLORIDE; RESIDUAL STRUCTURE; UNFOLDED PROTEINS; NMR; STATE; UREA; DYNAMICS AB Do highly denatured proteins adopt random coil configurations? Here, we address this question by measuring residue-to-residue separations across the denatured FynSH3 domain. Using single-molecule Forster resonance energy transfer techniques, we have collected transfer efficiency probability distributions for dye-labeled, denatured protein. Applying maximum likelihood analysis to the interpretation of these distributions, we have determined the through-space distance between five residue pairs in the protein's guanidine hydrochloride-unfolded and trifluoroethanol-unfolded states. We find that, while the dimensions of the guanidine hydrochloride -unfolded molecule generally coincide with the dimensions predicted for a random coil ensemble, potentially statistically significant deviations from random coil behavior are also evident. These small, site-specific deviations may provide a means of reconciling earlier, scattering based evidence for the random coil nature of the unfolded state with more site-specific spectroscopic evidence suggesting residual structure. We have also studied the unfolded ensemble populated in 50% trifluoroethanol, a denaturant that induces a highly helical unfolded state. We find that the size and shape of the unfolded ensemble under these conditions is effectively indistinguishable from that populated in guanidinium hydrochloride solutions, suggesting that the gross structure of the denatured state is, perhaps surprisingly, independent of the chemistry of the cosolvent. (c) 2005 Published by Elsevier Ltd. C1 Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA. Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. Johns Hopkins Univ, Bloomberg Sch Publ Hlth, Dept Biostat, Baltimore, MD 21205 USA. Univ Texas, Dept Chem & Biochem, Austin, TX 78712 USA. Univ Texas, Inst Theoret Chem, Austin, TX 78712 USA. RP Plaxco, KW (reprint author), Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA. EM kwp@chem.ucsb.edu RI Makarov, Dmitrii/G-8049-2011; Plaxco, Kevin/O-1793-2013 OI Plaxco, Kevin/0000-0003-4772-8771 FU NIGMS NIH HHS [R01GM62868-01A2] NR 41 TC 43 Z9 45 U1 0 U2 6 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 SEP 23 PY 2005 VL 352 IS 3 BP 672 EP 682 DI 10.1016/j.jmb.2005.07.015 PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 965AK UT WOS:000231921900017 PM 16095607 ER PT J AU Acosta, D Adelman, J Affolder, T Akimoto, T Albrow, MG Ambrose, D Amerio, S Amidei, D Anastassov, A Anikeev, K Annovi, A Antos, J Aoki, M Apollinari, G Arisawa, T Arguin, JF Artikov, A Ashmanskas, W Attal, A Azfar, F Azzi-Bacchetta, P Bacchetta, N Bachacou, H Badgett, W Barbaro-Galtieri, A Barker, GJ Barnes, VE Barnett, BA Baroiant, S Bauer, G Bedeschi, F Behari, S Belforte, S Bellettini, G Bellinger, J Belloni, A Ben-Haim, E Benjamin, D Beretvas, A Berry, T Bhatti, A Binkley, M Bisello, D Bishai, M Blair, RE Blocker, C Bloom, K Blumenfeld, B Bocci, A Bodek, A Bolla, G Bolshov, A Bortoletto, D Boudreau, J Bourov, S Brau, B Bromberg, C Brubaker, E Budagov, J Budd, HS Burkett, K Busetto, G Bussey, P Byrum, KL Cabrera, S Campanelli, M Campbell, M Canelli, F Canepa, A Casarsa, M Carlsmith, D Carosi, R Carron, S Cavalli-Sforza, M Castro, A Catastini, P Cauz, D Cerri, A Cerrito, L Chapman, J Chen, YC Chertok, M Chiarelli, G Chlachidze, G Chlebana, F Cho, I Cho, K Chokheli, D Chou, JP Chuang, S Chung, K Chung, WH Chung, YS Cijliak, M Ciobanu, CI Ciocci, MA Clark, AG Clark, D Coca, M Connolly, A Convery, M Conway, J Cooper, B Copic, K Cordelli, M Cortiana, G Cranshaw, J Cuevas, J Cruz, A Culbertson, R Currat, C Cyr, D Dagenhart, D Da Ronco, S D'Auria, S de Barbaro, P De Cecco, S Deisher, A De Lentdecker, G Dell'Orso, M Demers, S Demortier, L Deninno, M De Pedis, D Derwent, PF Devlin, T Dionisi, C Dittmann, JR DiTuro, P Dorr, C Dominguez, A Donati, S Donega, M Donini, J D'Onofrio, M Dorigo, T Ebina, K Efron, J Ehlers, J Erbacher, R Erdmann, M Errede, D Errede, S Eusebi, R Fang, HC Farrington, S Fedorko, I Fedorko, WT Feild, RG Feindt, M Fernandez, JP Field, RD Flanagan, G Flores-Castillo, LR Foland, A Forrester, S Foster, GW Franklin, M Freeman, JC Fujii, Y Furic, I Gajjar, A Gallinaro, M Galyardt, J Garcia-Sciveres, M Garfinkel, AF Gay, C Gerberich, H Gerdes, DW Gerchtein, E Giagu, S Giannetti, P Gibson, A Gibson, K Ginsburg, C Giolo, K Giordani, M Giunta, M Giurgiu, G Glagolev, V Glenzinski, D Gold, M Goldschmidt, N Goldstein, D Goldstein, J Gomez, G Gomez-Ceballos, G Goncharov, M Gonzalez, O Gorelov, I Goshaw, AT Gotra, Y Goulianos, K Gresele, A Griffiths, M Grosso-Pilcher, C Grundler, U da Costa, JG Haber, C Hahn, K Hahn, SR Halkiadakis, E Hamilton, A Han, BY Handler, R Happacher, F Hara, K Hare, M Harr, RF Harris, RM Hartmann, F Hatakeyama, K Hauser, J Hays, C Hayward, H Heinemann, B Heinrich, J Hennecke, M Herndon, M Hill, C Hirschbuehl, D Hocker, A Hoffman, KD Holloway, A Hou, S Houlden, MA Huffman, BT Huang, Y Hughes, RE Huston, J Ikado, K Incandela, J Introzzi, G Iori, M Ishizawa, Y Issever, C Ivanov, A Iwata, Y Iyutin, B James, E Jang, D Jayatilaka, B Jeans, D Jensen, H Jeon, EJ Jones, M Joo, KK Jun, SY Junk, T Kamon, T Kang, J Unel, MK Karchin, PE Kato, Y Kemp, Y Kephart, R Kerzel, U Khotilovich, V Kilminster, B Kim, DH Kim, HS Kim, JE Kim, MJ Kim, MS Kim, SB Kim, SH Kim, YK Kirby, M Kirsch, L Klimenko, S Klute, M Knuteson, B Ko, BR Kobayashi, H Kong, DJ Kondo, K Konigsberg, J Kordas, K Korn, A Korytov, A Kotwal, AV Kovalev, A Kraus, J Kravchenko, I Kreymer, A Kroll, J Kruse, M Krutelyov, V Kuhlmann, SE Kwang, S Laasanen, AT Lai, S Lami, S Lammel, S Lancaster, M Lander, R Lannon, K Lath, A Latino, G Lazzizzera, I Lecci, C LeCompte, T Lee, J Lee, J Lee, SW Lefevre, R Leonardo, N Leone, S Levy, S Lewis, JD Li, K Lin, C Lin, CS Lindgren, M Lipeles, E Liss, TM Lister, A Litvintsev, DO Liu, T Liu, Y Lockyer, NS Loginov, A Loreti, M Loverre, P Lu, RS Lucchesi, D Lujan, P Lukens, P Lungu, G Lyons, L Lys, J Lysak, R Lytken, E MacQueen, D Madrak, R Maeshima, K Maksimovic, P Manca, G Margaroli, F Marginean, R Marino, C Martin, A Martin, M Martin, V Martinez, M Maruyama, T Matsunaga, H Mattson, M Mazzanti, P McFarland, KS McGivern, D McIntyre, PM McNamara, P McNulty, R Mehta, A Menzemer, S Menzione, A Merkel, P Mesropian, C Messina, A Miao, T Miladinovic, N Miles, J Miller, L Miller, R Miller, JS Mills, C Miquel, R Miscetti, S Mitselmakher, G Miyamoto, A Moggi, N Mohr, B Moore, R Morello, M Fernandez, PAM Muelmenstaedt, J Mukherjee, A Mulhearn, M Muller, T Mumford, R Munar, A Murat, P Nachtman, J Nahn, S Nakano, I Napier, A Napora, R Naumov, D Necula, V Nielsen, J Nelson, T Neu, C Neubauer, MS Nigmanov, T Nodulman, L Norniella, O Ogawa, T Oh, SH Oh, YD Ohsugi, T Okusawa, T Oldeman, R Orava, R Orejudos, W Osterberg, K Pagliarone, C Palencia, E Paoletti, R Papadimitriou, V Paramonov, AA Pashapour, S Patrick, J Pauletta, G Paulini, M Paus, C Pellett, D Penzo, A Phillips, TJ Piacentino, G Piedra, J Pitts, KT Plager, C Pondrom, L Pope, G Portell, X Poukhov, O Pounder, N Prakoshyn, F Pronko, A Proudfoot, J Ptohos, F Punzi, G Rademacker, J Rahaman, MA Rakitine, A Rappoccio, S Ratnikov, F Ray, H Reisert, B Rekovic, V Renton, P Rescigno, M Rimondi, F Rinnert, K Ristori, L Robertson, WJ Robson, A Rodrigo, T Rolli, S Roser, R Rossin, R Rott, C Russ, J Rusu, V Ruiz, A Ryan, D Saarikko, H Sabik, S Safonov, A St Denis, R Sakumoto, WK Salamanna, G Saltzberg, D Sanchez, C Santi, L Sarkar, S Sato, K Savard, P Savoy-Navarro, A Schlabach, P Schmidt, EE Schmidt, MP Schmitt, M Schwarz, T Scodellaro, L Scott, AL Scribano, A Scuri, F Sedov, A Seidel, S Seiya, Y Semenov, A Semeria, F Sexton-Kennedy, L Sfiligoi, I Shapiro, MD Shears, T Shepard, PF Sherman, D Shimojima, M Shochet, M Shon, Y Shreyber, I Sidoti, A Sill, A Sinervo, P Sisakyan, A Sjolin, J Skiba, A Slaughter, AJ Sliwa, K Smirnov, D Smith, JR Snider, FD Snihur, R Soderberg, M Soha, A Somalwar, SV Spalding, J Spezziga, M Spinella, F Squillacioti, P Stadie, H Stanitzki, M Stelzer, B Stelzer-Chilton, O Stentz, D Strologas, J Stuart, D Suh, JS Sukhanov, A Sumorok, K Sun, H Suzuki, T Taffard, A Tafirout, R Takano, H Takashima, R Takeuchi, Y Takikawa, K Tanaka, M Tanaka, R Tanimoto, N Tecchio, M Teng, PK Terashi, K Tesarek, RJ Tether, S Thom, J Thompson, AS Thomson, E Tipton, P Tiwari, V Tkaczyk, S Toback, D Tollefson, K Tomura, T Tonelli, D Tonnesmann, M Torre, S Torretta, D Tourneur, S Trischuk, W Tsuchiya, R Tsuno, S Tsybychev, D Turini, N Ukegawa, F Unverhau, T Uozumi, S Usynin, D Vacavant, L Vaiciulis, A Varganov, A Vejcik, S Velev, G Veszpremi, V Veramendi, G Vickey, T Vidal, R Vila, I Vilar, R Vollrath, I Volobouev, I von der Mey, M Wagner, P Wagner, RG Wagner, RL Wagner, W Wallny, R Walter, T Wan, Z Wang, MJ Wang, SM Warburton, A Ward, B Waschke, S Waters, D Watts, T Weber, M Wester, WC Whitehouse, B Whiteson, D Wicklund, AB Wicklund, E Williams, HH Wilson, P Winer, BL Wittich, P Wolbers, S Wolfe, C Wolter, M Worcester, M Worm, S Wright, T Wu, X Wurthwein, F Wyatt, A Yagil, A Yamashita, T Yamamoto, K Yamaoka, J Yang, C Yang, UK Yao, W Yeh, GP Yoh, J Yorita, K Yoshida, T Yu, I Yu, S Yun, JC Zanello, L Zanetti, A Zaw, I Zetti, F Zhou, J Zucchelli, S AF Acosta, D Adelman, J Affolder, T Akimoto, T Albrow, MG Ambrose, D Amerio, S Amidei, D Anastassov, A Anikeev, K Annovi, A Antos, J Aoki, M Apollinari, G Arisawa, T Arguin, JF Artikov, A Ashmanskas, W Attal, A Azfar, F Azzi-Bacchetta, P Bacchetta, N Bachacou, H Badgett, W Barbaro-Galtieri, A Barker, GJ Barnes, VE Barnett, BA Baroiant, S Bauer, G Bedeschi, F Behari, S Belforte, S Bellettini, G Bellinger, J Belloni, A Ben-Haim, E Benjamin, D Beretvas, A Berry, T Bhatti, A Binkley, M Bisello, D Bishai, M Blair, RE Blocker, C Bloom, K Blumenfeld, B Bocci, A Bodek, A Bolla, G Bolshov, A Bortoletto, D Boudreau, J Bourov, S Brau, B Bromberg, C Brubaker, E Budagov, J Budd, HS Burkett, K Busetto, G Bussey, P Byrum, KL Cabrera, S Campanelli, M Campbell, M Canelli, F Canepa, A Casarsa, M Carlsmith, D Carosi, R Carron, S Cavalli-Sforza, M Castro, A Catastini, P Cauz, D Cerri, A Cerrito, L Chapman, J Chen, YC Chertok, M Chiarelli, G Chlachidze, G Chlebana, F Cho, I Cho, K Chokheli, D Chou, JP Chuang, S Chung, K Chung, WH Chung, YS Cijliak, M Ciobanu, CI Ciocci, MA Clark, AG Clark, D Coca, M Connolly, A Convery, M Conway, J Cooper, B Copic, K Cordelli, M Cortiana, G Cranshaw, J Cuevas, J Cruz, A Culbertson, R Currat, C Cyr, D Dagenhart, D Da Ronco, S D'Auria, S de Barbaro, P De Cecco, S Deisher, A De Lentdecker, G Dell'Orso, M Demers, S Demortier, L Deninno, M De Pedis, D Derwent, PF Devlin, T Dionisi, C Dittmann, JR DiTuro, P Dorr, C Dominguez, A Donati, S Donega, M Donini, J D'Onofrio, M Dorigo, T Ebina, K Efron, J Ehlers, J Erbacher, R Erdmann, M Errede, D Errede, S Eusebi, R Fang, HC Farrington, S Fedorko, I Fedorko, WT Feild, RG Feindt, M Fernandez, JP Field, RD Flanagan, G Flores-Castillo, LR Foland, A Forrester, S Foster, GW Franklin, M Freeman, JC Fujii, Y Furic, I Gajjar, A Gallinaro, M Galyardt, J Garcia-Sciveres, M Garfinkel, AF Gay, C Gerberich, H Gerdes, DW Gerchtein, E Giagu, S Giannetti, P Gibson, A Gibson, K Ginsburg, C Giolo, K Giordani, M Giunta, M Giurgiu, G Glagolev, V Glenzinski, D Gold, M Goldschmidt, N Goldstein, D Goldstein, J Gomez, G Gomez-Ceballos, G Goncharov, M Gonzalez, O Gorelov, I Goshaw, AT Gotra, Y Goulianos, K Gresele, A Griffiths, M Grosso-Pilcher, C Grundler, U da Costa, JG Haber, C Hahn, K Hahn, SR Halkiadakis, E Hamilton, A Han, BY Handler, R Happacher, F Hara, K Hare, M Harr, RF Harris, RM Hartmann, F Hatakeyama, K Hauser, J Hays, C Hayward, H Heinemann, B Heinrich, J Hennecke, M Herndon, M Hill, C Hirschbuehl, D Hocker, A Hoffman, KD Holloway, A Hou, S Houlden, MA Huffman, BT Huang, Y Hughes, RE Huston, J Ikado, K Incandela, J Introzzi, G Iori, M Ishizawa, Y Issever, C Ivanov, A Iwata, Y Iyutin, B James, E Jang, D Jayatilaka, B Jeans, D Jensen, H Jeon, EJ Jones, M Joo, KK Jun, SY Junk, T Kamon, T Kang, J Unel, MK Karchin, PE Kato, Y Kemp, Y Kephart, R Kerzel, U Khotilovich, V Kilminster, B Kim, DH Kim, HS Kim, JE Kim, MJ Kim, MS Kim, SB Kim, SH Kim, YK Kirby, M Kirsch, L Klimenko, S Klute, M Knuteson, B Ko, BR Kobayashi, H Kong, DJ Kondo, K Konigsberg, J Kordas, K Korn, A Korytov, A Kotwal, AV Kovalev, A Kraus, J Kravchenko, I Kreymer, A Kroll, J Kruse, M Krutelyov, V Kuhlmann, SE Kwang, S Laasanen, AT Lai, S Lami, S Lammel, S Lancaster, M Lander, R Lannon, K Lath, A Latino, G Lazzizzera, I Lecci, C LeCompte, T Lee, J Lee, J Lee, SW Lefevre, R Leonardo, N Leone, S Levy, S Lewis, JD Li, K Lin, C Lin, CS Lindgren, M Lipeles, E Liss, TM Lister, A Litvintsev, DO Liu, T Liu, Y Lockyer, NS Loginov, A Loreti, M Loverre, P Lu, RS Lucchesi, D Lujan, P Lukens, P Lungu, G Lyons, L Lys, J Lysak, R Lytken, E MacQueen, D Madrak, R Maeshima, K Maksimovic, P Manca, G Margaroli, F Marginean, R Marino, C Martin, A Martin, M Martin, V Martinez, M Maruyama, T Matsunaga, H Mattson, M Mazzanti, P McFarland, KS McGivern, D McIntyre, PM McNamara, P McNulty, R Mehta, A Menzemer, S Menzione, A Merkel, P Mesropian, C Messina, A Miao, T Miladinovic, N Miles, J Miller, L Miller, R Miller, JS Mills, C Miquel, R Miscetti, S Mitselmakher, G Miyamoto, A Moggi, N Mohr, B Moore, R Morello, M Fernandez, PAM Muelmenstaedt, J Mukherjee, A Mulhearn, M Muller, T Mumford, R Munar, A Murat, P Nachtman, J Nahn, S Nakano, I Napier, A Napora, R Naumov, D Necula, V Nielsen, J Nelson, T Neu, C Neubauer, MS Nigmanov, T Nodulman, L Norniella, O Ogawa, T Oh, SH Oh, YD Ohsugi, T Okusawa, T Oldeman, R Orava, R Orejudos, W Osterberg, K Pagliarone, C Palencia, E Paoletti, R Papadimitriou, V Paramonov, AA Pashapour, S Patrick, J Pauletta, G Paulini, M Paus, C Pellett, D Penzo, A Phillips, TJ Piacentino, G Piedra, J Pitts, KT Plager, C Pondrom, L Pope, G Portell, X Poukhov, O Pounder, N Prakoshyn, F Pronko, A Proudfoot, J Ptohos, F Punzi, G Rademacker, J Rahaman, MA Rakitine, A Rappoccio, S Ratnikov, F Ray, H Reisert, B Rekovic, V Renton, P Rescigno, M Rimondi, F Rinnert, K Ristori, L Robertson, WJ Robson, A Rodrigo, T Rolli, S Roser, R Rossin, R Rott, C Russ, J Rusu, V Ruiz, A Ryan, D Saarikko, H Sabik, S Safonov, A St Denis, R Sakumoto, WK Salamanna, G Saltzberg, D Sanchez, C Santi, L Sarkar, S Sato, K Savard, P Savoy-Navarro, A Schlabach, P Schmidt, EE Schmidt, MP Schmitt, M Schwarz, T Scodellaro, L Scott, AL Scribano, A Scuri, F Sedov, A Seidel, S Seiya, Y Semenov, A Semeria, F Sexton-Kennedy, L Sfiligoi, I Shapiro, MD Shears, T Shepard, PF Sherman, D Shimojima, M Shochet, M Shon, Y Shreyber, I Sidoti, A Sill, A Sinervo, P Sisakyan, A Sjolin, J Skiba, A Slaughter, AJ Sliwa, K Smirnov, D Smith, JR Snider, FD Snihur, R Soderberg, M Soha, A Somalwar, SV Spalding, J Spezziga, M Spinella, F Squillacioti, P Stadie, H Stanitzki, M Stelzer, B Stelzer-Chilton, O Stentz, D Strologas, J Stuart, D Suh, JS Sukhanov, A Sumorok, K Sun, H Suzuki, T Taffard, A Tafirout, R Takano, H Takashima, R Takeuchi, Y Takikawa, K Tanaka, M Tanaka, R Tanimoto, N Tecchio, M Teng, PK Terashi, K Tesarek, RJ Tether, S Thom, J Thompson, AS Thomson, E Tipton, P Tiwari, V Tkaczyk, S Toback, D Tollefson, K Tomura, T Tonelli, D Tonnesmann, M Torre, S Torretta, D Tourneur, S Trischuk, W Tsuchiya, R Tsuno, S Tsybychev, D Turini, N Ukegawa, F Unverhau, T Uozumi, S Usynin, D Vacavant, L Vaiciulis, A Varganov, A Vejcik, S Velev, G Veszpremi, V Veramendi, G Vickey, T Vidal, R Vila, I Vilar, R Vollrath, I Volobouev, I von der Mey, M Wagner, P Wagner, RG Wagner, RL Wagner, W Wallny, R Walter, T Wan, Z Wang, MJ Wang, SM Warburton, A Ward, B Waschke, S Waters, D Watts, T Weber, M Wester, WC Whitehouse, B Whiteson, D Wicklund, AB Wicklund, E Williams, HH Wilson, P Winer, BL Wittich, P Wolbers, S Wolfe, C Wolter, M Worcester, M Worm, S Wright, T Wu, X Wurthwein, F Wyatt, A Yagil, A Yamashita, T Yamamoto, K Yamaoka, J Yang, C Yang, UK Yao, W Yeh, GP Yoh, J Yorita, K Yoshida, T Yu, I Yu, S Yun, JC Zanello, L Zanetti, A Zaw, I Zetti, F Zhou, J Zucchelli, S CA CDF Collaboration TI Search for new physics using high-mass tau pairs from 1.96 TeV p(p)over-bar collisions SO PHYSICAL REVIEW LETTERS LA English DT Article ID SUPERSYMMETRIC MODELS; RADIATIVE-CORRECTIONS; BOSONS; SYSTEM AB We present the results of a search for anomalous resonant production of tau lepton pairs with large invariant mass, the first such search using the CDF II Detector in Run II of the Tevatron pp collider. Such anomalous production could arise from various new physics processes. In a data sample corresponding to 195 pb(-1) of integrated luminosity we predict 2: 8 +/- 0: 5 events from standard model background processes and observe 4. We use this result to set limits on the production of heavy scalar and vector particles decaying to tau lepton pairs. C1 Acad Sinica, Inst Phys, Taipei 11529, Taiwan. Argonne Natl Lab, Argonne, IL 60439 USA. Univ Autonoma Barcelona, Inst Fis Altes Energies, E-08193 Barcelona, Spain. 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, E-39005 Santander, Spain. Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. Joint Nucl Res Inst, 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, Switzerland. Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. Harvard Univ, Cambridge, MA 02138 USA. Univ Helsinki, Dept Phys, Div High Energy Phys, FIN-00014 Helsinki, Finland. Helsinki Inst Phys, FIN-00014 Helsinki, Finland. Hiroshima Univ, Higashihiroshima 724, Japan. Univ Illinois, Urbana, IL 61801 USA. Johns Hopkins Univ, Baltimore, MD 21218 USA. Univ Karlsruhe, Inst Expt Kernphys, D-76128 Karlsruhe, Germany. KEK, High Energy Accelerator Res Org, Tsukuba, Ibaraki 305, Japan. Kyungpook Natl Univ, Ctr High Energy Phys, Taegu 702701, South Korea. Seoul Natl Univ, Seoul 151742, South Korea. Sungkyunkwan Univ, Suwon 440746, South Korea. Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. 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Univ Roma La Sapienza, Ist Nazl Fis Nucl, Sez Roma 1, I-00185 Rome, Italy. Rutgers State Univ, Piscataway, NJ 08855 USA. Texas A&M Univ, College Stn, TX 77843 USA. Texas Tech Univ, Lubbock, TX 79409 USA. Univ Trieste, Ist Nazl Fis Nucl, Udine, Italy. Univ Tsukuba, Tsukuba, Ibaraki 305, Japan. Tufts Univ, Medford, MA 02155 USA. Waseda Univ, Tokyo 169, Japan. Wayne State Univ, Detroit, MI 48201 USA. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06520 USA. RP Acosta, D (reprint author), Acad Sinica, Inst Phys, Taipei 11529, Taiwan. RI Warburton, Andreas/N-8028-2013; Kim, Soo-Bong/B-7061-2014; Lysak, Roman/H-2995-2014; Scodellaro, Luca/K-9091-2014; Connolly, Amy/J-3958-2013; Lazzizzera, Ignazio/E-9678-2015; Cabrera Urban, Susana/H-1376-2015; Cavalli-Sforza, Matteo/H-7102-2015; ciocci, maria agnese /I-2153-2015; Prokoshin, Fedor/E-2795-2012; Muelmenstaedt, Johannes/K-2432-2015; Introzzi, Gianluca/K-2497-2015; Lancaster, Mark/C-1693-2008; Ruiz, Alberto/E-4473-2011; Robson, Aidan/G-1087-2011; De Cecco, Sandro/B-1016-2012; Wolter, Marcin/A-7412-2012; St.Denis, Richard/C-8997-2012; Chiarelli, Giorgio/E-8953-2012; 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; Gorelov, Igor/J-9010-2015; Canelli, Florencia/O-9693-2016 OI Warburton, Andreas/0000-0002-2298-7315; Scodellaro, Luca/0000-0002-4974-8330; Lazzizzera, Ignazio/0000-0001-5092-7531; ciocci, maria agnese /0000-0003-0002-5462; Prokoshin, Fedor/0000-0001-6389-5399; Muelmenstaedt, Johannes/0000-0003-1105-6678; Introzzi, Gianluca/0000-0002-1314-2580; Ruiz, Alberto/0000-0002-3639-0368; Chiarelli, Giorgio/0000-0001-9851-4816; Azzi, Patrizia/0000-0002-3129-828X; Punzi, Giovanni/0000-0002-8346-9052; Annovi, Alberto/0000-0002-4649-4398; Ivanov, Andrew/0000-0002-9270-5643; Gorelov, Igor/0000-0001-5570-0133; Canelli, Florencia/0000-0001-6361-2117 NR 17 TC 37 Z9 37 U1 1 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. 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Liu, R Mellado, B Mihalyi, A Pan, Y Prepost, R Tan, P von Wimmersperg-Toeller, JH Wu, J Wu, SL Yu, Z Greene, MG Neal, H AF Aubert, B Barate, R Boutigny, D Couderc, F Karyotakis, Y Lees, JP Poireau, V Tisserand, V Zghiche, A Grauges, E Palano, A Pappagallo, M Pompili, A Chen, JC Qi, ND Rong, G Wang, P Zhu, YS Eigen, G Ofte, I Stugu, B Abrams, GS Battaglia, M Borgland, AW Breon, AB Brown, DN Button-Shafer, J Cahn, RN Charles, E Day, CT Gill, MS Gritsan, AV Groysman, Y Jacobsen, RG Kadel, RW Kadyk, J Kerth, LT Kolomensky, YG Kukartsev, G Lynch, G Mir, LM Oddone, PJ Orimoto, TJ Pripstein, M Roe, NA Ronan, MT Wenzel, WA Barrett, M Ford, KE Harrison, TJ Hart, AJ Hawkes, CM Morgan, SE Watson, AT Fritsch, M Goetzen, K Held, T Koch, H Lewandowski, B Pelizaeus, M Peters, K Schroeder, T Steinke, M Boyd, JT Burke, JP Chevalier, N Cottingham, WN Kelly, MP Cuhadar-Donszelmann, T Hearty, C Knecht, NS Mattison, TS McKenna, JA Khan, A Kyberd, P Teodorescu, L Blinov, AE Blinov, VE Bukin, AD Druzhinin, 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Hauke, A Spaan, B Altenburg, D Brandt, T Brose, J Dickopp, M Klose, V Lacker, HM Nogowski, R Otto, S Petzold, A Schott, G Schubert, J Schubert, KR Schwierz, R Sundermann, JE Bernard, D Bonneaud, GR Grenier, P Schrenk, S Thiebaux, C Vasileiadis, G Verderi, M Bard, DJ Clark, PJ Gradl, W Muheim, F Playfer, S Xie, Y Andreotti, M Azzolini, V Bettoni, D Bozzi, C Calabrese, R Cibinetto, G Luppi, E Negrini, M Piemontese, L Anulli, F Baldini-Ferroli, R Calcaterra, A de Sangro, R Finocchiaro, G Patteri, P Peruzzi, IM Piccolo, M Zallo, A Buzzo, A Capra, R Contri, R Lo Vetere, M Macri, M Monge, MR Passaggio, S Patrignani, C Robutti, E Santroni, A Tosi, S Bailey, S Brandenburg, G Chaisanguanthum, KS Morii, M Won, E Dubitzky, RS Langenegger, U Marks, J Schenk, S Uwer, U Bhimji, W Bowerman, DA Dauncey, PD Egede, U Flack, RL Gaillard, JR Morton, GW Nash, JA Nikolich, MB Taylor, GP Charles, MJ Mader, WF Mallik, U Mohapatra, AK Cochran, J Crawley, HB Eyges, V Meyer, WT Prell, S Rosenberg, EI Rubin, AE 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Cremaldi, L Eschenburg, V Godang, R Kroeger, R Reidy, J Sanders, DA Summers, DJ Zhao, HW Brunet, S Cote, D Taras, P Viaud, B Nicholson, H Cavallo, N De Nardo, G Fabozzi, F Gatto, C Lista, L Monorchio, D Paolucci, P Piccolo, D Sciacca, C Baak, M Bulten, H Raven, G Snoek, HL Wilden, L Jessop, CP LoSecco, JM Allmendinger, T Benelli, G Gan, KK Honscheid, K Hufnagel, D Jackson, PD Kagan, H Kass, R Pulliam, T Rahimi, AM Ter-Antonyan, R Wong, QK Brau, J Frey, R Igonkina, O Lu, M Potter, CT Sinev, NB Strom, D Torrence, E Colecchia, F Dorigo, A Galeazzi, F Margoni, M Morandin, M Posocco, M Rotondo, M Simonetto, F Stroili, R Voci, C Benayoun, M Briand, H Chauveau, J David, P Buono, LD de la Vaissiere, C Hamon, O John, MJJ Leruste, P Malcles, J Ocariz, J Roos, L Therin, G Behera, PK Gladney, L Guo, QH Panetta, J Biasini, M Covarelli, R Pacetti, S Pioppi, M Angelini, C Batignani, G Bettarini, S Bucci, F Calderini, G Carpinelli, M Cenci, R Forti, F Giorgi, MA Lusiani, A Marchiori, G Morganti, M Neri, N Paoloni, E Rama, M Rizzo, G Walsh, J Haire, M Judd, D Paick, K Wagoner, DE Biesiada, J Danielson, N Elmer, P Lau, YP Lu, C Olsen, J Smith, AJS Telnov, AV Bellini, F Cavoto, G D'Orazio, A Marco, ED Faccini, R Ferrarotto, F Ferroni, F Gaspero, M Gioi, LL Mazzoni, MA Morganti, S Piredda, G Polci, F Tehrani, FS Voena, C Schroder, H Wagner, G Waldi, R Adye, T De Groot, N Franek, B Gopal, GP Olaiya, EO Wilson, FF Aleksan, R Emery, S Gaidot, A Ganzhur, SF Giraud, PF Graziani, G de Monchenault, GH Kozanecki, W Legendre, M London, GW Mayer, B Vasseur, G Yeche, C Zito, M Purohit, MV Weidemann, AW Wilson, JR Yumiceva, FX Abe, T Allen, MT Aston, D Bartoldus, R Berger, N Boyarski, AM Buchmueller, OL Claus, R Convery, MR Cristinziani, M Dingfelder, JC Dong, D Dorfan, J Dujmic, D Dunwoodie, W Fan, S Field, RC Glanzman, T Gowdy, SJ Hadig, T Halyo, V Hast, C Hryn'ova, T Innes, WR Kelsey, MH Kim, P Kocian, ML Leith, DWGS Libby, J Luitz, S Luth, V Lynch, HL Marsiske, H Messner, R Muller, DR O'Grady, CP Ozcan, VE Perazzo, A Perl, M Ratcliff, BN Roodman, A Salnikov, AA Schindler, RH Schwiening, J Snyder, A Stelzer, J Strube, J Su, D Sullivan, MK Suzuki, K Swain, S Thompson, JM Va'vra, J Weaver, M Wisniewski, WJ Wittgen, M Wright, DH Yarritu, AK Yi, K Young, CC Burchat, PR Edwards, AJ Majewski, SA Petersen, BA Roat, C Ahmed, M Ahmed, S Alam, MS Ernst, JA Saeed, MA Saleem, M Wappler, FR Zain, SB Bugg, W Krishnamurthy, M Spanier, SM Eckmann, R Ritchie, JL Satpathy, A Schwitters, RF Izen, JM Kitayama, I Lou, XC Ye, S Bianchi, F Bona, M Gallo, F Gamba, D Bomben, M Bosisio, L Cartaro, C Cossutti, F Della Ricca, G Dittongo, S Grancagnolo, S Lanceri, L Poropat, P Vitale, L Martinez-Vidal, F Panvini, RS Banerjee, S Bhuyan, B Brown, CM Fortin, D Hamano, K Kowalewski, R Roney, JM Sobie, RJ Back, JJ Harrison, PF Latham, TE Mohanty, GB Band, HR Chen, X Cheng, B Dasu, S Datta, M Eichenbaum, AM Flood, KT Graham, M Hollar, JJ Johnson, JR Kutter, PE Li, H Liu, R Mellado, B Mihalyi, A Pan, Y Prepost, R Tan, P von Wimmersperg-Toeller, JH Wu, J Wu, SL Yu, Z Greene, MG Neal, H CA BABAR Collaboration TI Measurement of time-dependent CP asymmetries in B-0 ->(DD -/+)-D-(*)+/- decays SO PHYSICAL REVIEW LETTERS LA English DT Article ID B-DECAYS; VIOLATION; PHYSICS; GAMMA AB We present a first measurement of CP asymmetries in neutral B decays to D+D-, and updated CP asymmetry measurements in decays to D*D-+(-) and D*D--(+). We use fully reconstructed decays collected in a data sample of (232 +/- 3) x 10(6) Y (4S) -> BB B events in the BABAR detector at the PEP-II asymmetric-energy B Factory at SLAC. We determine the time-dependent asymmetry parameters to be SD*+D- = -0.54 +/- 0.35 +/- 0.07, CD*+D- = 0.09 +/- 0.25 +/- 0.06, SD*-D+ = -0.29 +/- 0.33 +/- 0.07, CD*-D+ = 0.17 +/- 0.24 +/- 0.04, SD+D- = -0.29 +/- 0.63 +/- 0.06, and CD+D- = 0.11 +/- 0.35 +/- 0.06, where in each case the first error is statistical and the second error is systematic. C1 Phys Particules Lab, F-74941 Annecy Le Vieux, France. Univ Autonoma Barcelona, IFAE, E-08193 Barcelona, Spain. Univ Bari, Dipartmento Fis, I-70126 Bari, Italy. Ist Nazl Fis Nucl, I-70126 Bari, Italy. Inst High Energy Phys, Beijing 100039, Peoples R China. Univ Bergen, Inst Phys, N-5007 Bergen, Norway. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. Univ Birmingham, Birmingham B15 2TT, W Midlands, England. 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RI 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; Oyanguren, Arantza/K-6454-2014; Luppi, Eleonora/A-4902-2015; Kravchenko, Evgeniy/F-5457-2015; Calabrese, Roberto/G-4405-2015; Mir, Lluisa-Maria/G-7212-2015; Martinez Vidal, F*/L-7563-2014; Kolomensky, Yury/I-3510-2015; Lo Vetere, Maurizio/J-5049-2012; Grancagnolo, Sergio/J-3957-2015; Lusiani, Alberto/N-2976-2015; Morandin, Mauro/A-3308-2016; Lusiani, Alberto/A-3329-2016; Monge, Maria Roberta/G-9127-2012; Peters, Klaus/C-2728-2008; de Groot, Nicolo/A-2675-2009; Lista, Luca/C-5719-2008; Bellini, Fabio/D-1055-2009; Neri, Nicola/G-3991-2012; Forti, Francesco/H-3035-2011; Rotondo, Marcello/I-6043-2012; Patrignani, Claudia/C-5223-2009; de Sangro, Riccardo/J-2901-2012; Cavallo, Nicola/F-8913-2012; Saeed, Mohammad Alam/J-7455-2012; Negrini, Matteo/C-8906-2014 OI 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; Oyanguren, Arantza/0000-0002-8240-7300; Luppi, Eleonora/0000-0002-1072-5633; Calabrese, Roberto/0000-0002-1354-5400; Mir, Lluisa-Maria/0000-0002-4276-715X; Martinez Vidal, F*/0000-0001-6841-6035; Kolomensky, Yury/0000-0001-8496-9975; Lo Vetere, Maurizio/0000-0002-6520-4480; Grancagnolo, Sergio/0000-0001-8490-8304; Lusiani, Alberto/0000-0002-6876-3288; Morandin, Mauro/0000-0003-4708-4240; Lusiani, Alberto/0000-0002-6876-3288; Monge, Maria Roberta/0000-0003-1633-3195; Peters, Klaus/0000-0001-7133-0662; Bellini, Fabio/0000-0002-2936-660X; Neri, Nicola/0000-0002-6106-3756; Forti, Francesco/0000-0001-6535-7965; Rotondo, Marcello/0000-0001-5704-6163; Patrignani, Claudia/0000-0002-5882-1747; de Sangro, Riccardo/0000-0002-3808-5455; Saeed, Mohammad Alam/0000-0002-3529-9255; Negrini, Matteo/0000-0003-0101-6963 NR 24 TC 6 Z9 6 U1 0 U2 5 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. 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Taras, P Nicholson, H Cavallo, N De Nardo, G Fabozzi, F Gatto, C Lista, L Monorchio, D Paolucci, P Piccolo, D Sciacca, C Baak, M Bulten, H Raven, G Snoek, HL Wilden, L Jessop, CP LoSecco, JM Allmendinger, T Benelli, G Gan, KK Honscheid, K Hufnagel, D Kagan, H Kass, R Pulliam, T Rahimi, AM Ter-Antonyan, R Wong, QK Brau, J Frey, R Igonkina, O Lu, M Potter, CT Sinev, NB Strom, D Torrence, E Colecchia, F Dorigo, A Galeazzi, F Margoni, M Morandin, M Posocco, M Rotondo, M Simonetto, F Stroili, R Voci, C Benayoun, M Briand, H Chauveau, J David, P Del Buono, L de la Vaissiere, C Hamon, O John, MJJ Leruste, P Malcles, J Ocariz, J Roos, L Therin, G Behera, PK Gladney, L Guo, QH Panetta, J Biasini, M Covarelli, R Pioppi, M Angelini, C Batignani, G Bettarini, S Bucci, F Calderini, G Carpinelli, M Forti, F Giorgi, MA Lusiani, A Marchiori, G Morganti, M Neri, N Paoloni, E Rama, M Rizzo, G Simi, G Walsh, J Haire, M Judd, D Paick, K Wagoner, DE Danielson, N Elmer, P Lau, YP Lu, C Olsen, J Smith, AJS Telnov, AV Bellini, F Cavoto, G D'Orazio, A Di Marco, E Faccini, R Ferrarotto, F Ferroni, F Gaspero, M Li Gioi, L Mazzoni, MA Morganti, S Piredda, G Polci, F Tehrani, FS Voena, C Christ, S Schroder, H Wagner, G Waldi, R Adye, T De Groot, N Franek, B Gopal, GP Olaiya, EO Wilson, FF Aleksan, R Emery, S Gaidot, A Ganzhur, SF Giraud, PF Graziani, G de Monchenault, GH Kozanecki, W Legendre, M London, GW Mayer, B Vasseur, G Yeche, C Zito, M Purohit, MV Weidemann, AW Wilson, JR Yumiceva, FX Abe, T Allen, MT Aston, D Bartoldus, R Berger, N Boyarski, AM Buchmueller, OL Claus, R Convery, MR Cristinziani, M Dingfelder, JC Dong, D Dorfan, J Dujmic, D Dunwoodie, W Fan, S Field, RC Glanzman, T Gowdy, SJ Hadig, T Halyo, V Hast, C Hryn'ova, T Innes, WR Kelsey, MH Kim, P Kocian, ML Leith, DWGS Libby, J Luitz, S Luth, V Lynch, HL Marsiske, H Messner, R Mohapatra, AK Muller, DR O'Grady, CP Ozcan, VE Perazzo, A Perl, M Ratcliff, BN Roodman, A Salnikov, AA Schindler, RH Schwiening, J Snyder, A Soha, A Stelzer, J Strube, J Su, D Sullivan, MK Thompson, JM Va'vra, J Wagner, SR Weaver, M Wisniewski, WJ Wittgen, M Wright, DH Yarritu, AK Young, CC Burchat, PR Edwards, AJ Majewski, SA Petersen, BA Roat, C Ahmed, M Ahmed, S Alam, MS Ernst, JA Saeed, MA Saleem, M Wappler, FR Bugg, W Krishnamurthy, M Spanier, SM Eckmann, R Kim, H Ritchie, JL Satpathy, A Schwitters, RF Izen, JM Kitayama, I Lou, XC Ye, S Bianchi, F Bona, M Gallo, F Gamba, D Bomben, M Bosisio, L Cartaro, C Cossutti, F Della Ricca, G Dittongo, S Grancagnolo, S Lanceri, L Poropat, P Vitale, L Vuagnin, G Martinez-Vidal, F Panvini, RS Banerjee, S Bhuyan, B Brown, CM Fortin, D Hamano, K Jackson, PD Kowalewski, R Roney, JM Sobie, RJ Back, JJ Harrison, PF Latham, TE Mohanty, GB Band, HR Chen, X Cheng, B Dasu, S Datta, M Eichenbaum, AM Flood, KT Graham, M Hollar, JJ Johnson, JR Kutter, PE Li, H Liu, R Mellado, B Mihalyi, A Pan, Y Prepost, R Tan, P von Wimmersperg-Toeller, JH Wu, J Wu, SL Yu, Z Greene, MG Neal, H CA BaBar Collaboration TI Measurement of branching fractions and charge asymmetries in B+ decays to eta pi(+), eta K+, eta rho(+), and eta(')pi(+), and search for B-0 decays to eta K-0 and eta omega SO PHYSICAL REVIEW LETTERS LA English DT Article ID QCD FACTORIZATION; CP-VIOLATION; PHYSICS AB We present measurements of branching fractions and charge asymmetries for six B-meson decay modes with an eta or eta' meson in the final state. The data sample corresponds to 232 x 10(6) BB pairs collected with the BABAR detector at the PEP-II asymmetric-energy e(+)e(-) B Factory at SLAC. We measure the branching fractions (in units of 10(-6)): B(B+ -> eta pi(+)) = 5.1 +/- 0.6 +/- 0.3, B(B+ -> eta K+) = 3.3 +/- 0.6 +/- 0.3, B(B-0 -> eta K-0) = 1.5 +/- 0.7 +/- 0.1 (< 2.5 at 90% C.L.), B(B+ -> eta rho(+)) = 8.4 +/- 1.9 +/- 1.1, B(B-0 -> eta omega) = 1.0 +/- 0.5 +/- 0.2 (< 1.9 at 90% C.L.), and B(B+ -> eta'pi(+)) = 4.0 +/- 0.8 +/- 0.4, where the first uncertainty is statistical and second systematic. For the charged modes we also determine the charge asymmetries, all found to be compatible with zero. C1 Phys Particules Lab, F-74941 Annecy Le Vieux, France. Univ Autonoma Barcelona, IFAE, E-08193 Barcelona, Spain. Univ Bari, Dipartmento Fis, I-70126 Bari, Italy. Ist Nazl Fis Nucl, I-70126 Bari, Italy. Inst High Energy Phys, Beijing 100039, Peoples R China. Univ Bergen, Inst Phys, N-5007 Bergen, Norway. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. Univ Birmingham, Birmingham B15 2TT, W Midlands, England. Ruhr Univ Bochum, Inst Expt Phys 1, D-44780 Bochum, Germany. Univ Bristol, Bristol BS8 1TL, Avon, England. Univ British Columbia, Vancouver, BC V6T 1Z1, Canada. Brunel Univ, Uxbridge UB8 3PH, Middx, England. Budker Inst Nucl Phys, Novosibirsk 630090, Russia. Univ Calif Irvine, Irvine, CA 92697 USA. Univ Calif Los Angeles, Los Angeles, CA 90024 USA. Univ Calif Riverside, Riverside, CA 92521 USA. Univ Calif San Diego, La Jolla, CA 92093 USA. Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. Univ Calif Santa Cruz, Inst Particle Phys, Santa Cruz, CA 95064 USA. CALTECH, Pasadena, CA 91125 USA. Univ Cincinnati, Cincinnati, OH 45221 USA. Univ Colorado, Boulder, CO 80309 USA. Colorado State Univ, Ft Collins, CO 80523 USA. Univ Dortmund, Inst Phys, D-44221 Dortmund, Germany. Tech Univ Dresden, Inst Kern & Teilchenphys, D-01062 Dresden, Germany. Ecole Polytech, LLR, F-91128 Palaiseau, France. Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. Univ Ferrara, Dipartimento Phys, I-44100 Ferrara, Italy. Univ Ferrara, INFN, I-44100 Ferrara, Italy. Ist Nazl Fis Nucl, Lab Nazionali Frascati, I-00044 Frascati, Italy. Univ Genoa, Dipartimento Phys, I-16146 Genoa, Italy. Univ Genoa, INFN, I-16146 Genoa, Italy. Harvard Univ, Cambridge, MA 02138 USA. Heidelberg Univ, Physik Inst, D-69120 Heidelberg, Germany. Univ London Imperial Coll Sci & Technol, London SW7 2AZ, England. Univ Iowa, Iowa City, IA 52242 USA. Iowa State Univ, Ames, IA 50011 USA. Lab Accel Lineare, F-91898 Orsay, France. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Liverpool, Liverpool L69 72E, Merseyside, England. Queen Mary Univ London, London E1 4NS, England. Univ London Royal Holloway & Bedford New Coll, Egham TW20 0EX, Surrey, England. Univ Louisville, Louisville, KY 40292 USA. Univ Manchester, Manchester M13 9PL, Lancs, England. Univ Maryland, College Pk, MD 20742 USA. Univ Massachusetts, Amherst, MA 01003 USA. MIT, Lab Nucl Sci, Cambridge, MA 02139 USA. McGill Univ, Montreal, PQ H3A 2T8, Canada. Univ Milan, Dipartimento Fisica, I-20133 Milan, Italy. Univ Milan, INFN, I-20133 Milan, Italy. Univ Misssippi, University, MS 38677 USA. Univ Montreal, Lab Rene J A Levesque, Montreal, PQ H3C 3J7, Canada. Mt Holyoke Coll, S Hadley, MA 01075 USA. Univ Naples Federico II, Dipartimento Sci Fisiche, I-80126 Naples, Italy. Univ Naples Federico II, INFN, I-80126 Naples, Italy. Natl Inst Nucl Phys High Energy Phys, NIKHEF, NL-1009 DB Amsterdam, Netherlands. Univ Notre Dame, Notre Dame, IN 46556 USA. Ohio State Univ, Columbus, OH 43210 USA. Univ Oregon, Eugene, OR 97403 USA. Univ Padua, Dipartimento Fisica, I-35131 Padua, Italy. Univ Padua, INFN, I-35100 Padua, Italy. Univ Paris 06, Lab Phys Nucl Hautes Energies, F-75252 Paris, France. Univ Paris 07, Lab Phys Nucl Hautes Energies, F-75221 Paris, France. Univ Penn, Philadelphia, PA 19104 USA. Univ Perugia, Dipartimento Fisica, I-06100 Perugia, Italy. Univ Perugia, INFN, I-06100 Perugia, Italy. Univ Pisa, Dipartimento Fisica, I-56127 Pisa, Italy. Univ Pisa, Scuola Normale Superiore, I-56100 Pisa, Italy. Univ Pisa, INFN, I-56100 Pisa, Italy. Prairie View A&M Univ, Prairie View, TX 77446 USA. Princeton Univ, Princeton, NJ 08544 USA. Univ Roma La Sapienza, Dipartimento Fisica, I-00185 Rome, Italy. Univ Roma La Sapienza, INFN, I-00185 Rome, Italy. Univ Rostock, D-18051 Rostock, Germany. Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. DSM Dapnia, CEA Saclay, F-91191 Gif Sur Yvette, France. Univ S Carolina, Columbia, SC 29208 USA. Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. Stanford Univ, Stanford, CA 94305 USA. SUNY Albany, Albany, NY 12222 USA. Univ Tennessee, Knoxville, TN 37996 USA. Univ Texas, Austin, TX 78712 USA. Univ Texas, Richardson, TX 75083 USA. Univ Turin, Dipartimento Fisica Sperimentale, I-10125 Turin, Italy. Univ Turin, INFN, I-10124 Turin, Italy. Univ Trieste, Diipartimento Fisica, I-34127 Trieste, Italy. Univ Trieste, INFN, I-34127 Trieste, Italy. Univ Valencia CSIC, IFIC, E-46071 Valencia, Spain. Vanderbilt Univ, Nashville, TN 37235 USA. Univ Victoria, Victoria, BC V8W 3P6, Canada. Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06511 USA. RP Phys Particules Lab, F-74941 Annecy Le Vieux, France. RI 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; Negrini, Matteo/C-8906-2014; Monge, Maria Roberta/G-9127-2012; Luppi, Eleonora/A-4902-2015; Kravchenko, Evgeniy/F-5457-2015; Calabrese, Roberto/G-4405-2015; Mir, Lluisa-Maria/G-7212-2015; Martinez Vidal, F*/L-7563-2014; Kolomensky, Yury/I-3510-2015; Lo Vetere, Maurizio/J-5049-2012; Grancagnolo, Sergio/J-3957-2015; Lusiani, Alberto/N-2976-2015; Morandin, Mauro/A-3308-2016; Lusiani, Alberto/A-3329-2016; Peters, Klaus/C-2728-2008; de Groot, Nicolo/A-2675-2009; Lista, Luca/C-5719-2008; Bellini, Fabio/D-1055-2009; Neri, Nicola/G-3991-2012; Forti, Francesco/H-3035-2011; Saeed, Mohammad Alam/J-7455-2012; Rotondo, Marcello/I-6043-2012; Patrignani, Claudia/C-5223-2009; de Sangro, Riccardo/J-2901-2012; M, Saleem/B-9137-2013; Sarti, Alessio/I-2833-2012; Cavallo, Nicola/F-8913-2012 OI 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; Negrini, Matteo/0000-0003-0101-6963; Monge, Maria Roberta/0000-0003-1633-3195; Luppi, Eleonora/0000-0002-1072-5633; Calabrese, Roberto/0000-0002-1354-5400; Mir, Lluisa-Maria/0000-0002-4276-715X; Martinez Vidal, F*/0000-0001-6841-6035; Kolomensky, Yury/0000-0001-8496-9975; Lo Vetere, Maurizio/0000-0002-6520-4480; Grancagnolo, Sergio/0000-0001-8490-8304; Lusiani, Alberto/0000-0002-6876-3288; Morandin, Mauro/0000-0003-4708-4240; Lusiani, Alberto/0000-0002-6876-3288; Peters, Klaus/0000-0001-7133-0662; Bellini, Fabio/0000-0002-2936-660X; Neri, Nicola/0000-0002-6106-3756; Forti, Francesco/0000-0001-6535-7965; Saeed, Mohammad Alam/0000-0002-3529-9255; Rotondo, Marcello/0000-0001-5704-6163; Patrignani, Claudia/0000-0002-5882-1747; de Sangro, Riccardo/0000-0002-3808-5455; Sarti, Alessio/0000-0001-5419-7951; NR 24 TC 16 Z9 16 U1 0 U2 6 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 SEP 23 PY 2005 VL 95 IS 13 AR 131803 DI 10.1103/PhysRevLett.95.131803 PG 7 WC Physics, Multidisciplinary SC Physics GA 966ZA UT WOS:000232060100011 ER PT J AU Kostov, MK Santiso, EE George, AM Gubbins, KE Nardelli, MB AF Kostov, MK Santiso, EE George, AM Gubbins, KE Nardelli, MB TI Dissociation of water on defective carbon substrates SO PHYSICAL REVIEW LETTERS LA English DT Article ID GRAPHITE SURFACES; HYDROGEN; STORAGE; APPROXIMATION; DENSITY; POINTS AB Using calculations from first principles, we found that water can dissociate over defective sites in graphene or nanotubes following many possible reaction pathways, some of which have activation barriers lower than half the value for the dissociation of bulk water. This reduction is caused by spin selection rules that allow the system to remain on the same spin surface throughout the reaction. C1 N Carolina State Univ, Ctr High Performance Simulat, Raleigh, NC 27695 USA. N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. N Carolina State Univ, Dept Chem & Biomol Engn, Raleigh, NC 27695 USA. Oak Ridge Natl Lab, CCS CSM, Oak Ridge, TN 37831 USA. RP Nardelli, MB (reprint author), N Carolina State Univ, Ctr High Performance Simulat, Raleigh, NC 27695 USA. EM mbnardelli@ncsu.edu RI Buongiorno Nardelli, Marco/C-9089-2009 NR 24 TC 79 Z9 79 U1 4 U2 28 PU AMERICAN 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 SEP 23 PY 2005 VL 95 IS 13 AR 136105 DI 10.1103/PhysRevLett.95.136105 PG 4 WC Physics, Multidisciplinary SC Physics GA 966ZA UT WOS:000232060100034 PM 16197155 ER PT J AU Park, JY Sacha, GM Enachescu, M Ogletree, DF Ribeiro, RA Canfield, PC Jenks, CJ Thiel, PA Saenz, JJ Salmeron, M AF Park, JY Sacha, GM Enachescu, M Ogletree, DF Ribeiro, RA Canfield, PC Jenks, CJ Thiel, PA Saenz, JJ Salmeron, M TI Sensing dipole fields at atomic steps with combined scanning tunneling and force microscopy SO PHYSICAL REVIEW LETTERS LA English DT Article ID WORK-FUNCTION; METAL-SURFACES; QUASI-CRYSTALS; AL; GROWTH AB The electric field of dipoles localized at the atomic steps of metal surfaces due to the Smoluchowski effect were measured from the electrostatic force exerted on the biased tip of a scanning tunneling microscope. By varying the tip-sample bias the contribution of the step dipole was separated from changes in the force due to van der Waals and polarization forces. Combined with electrostatic calculations, the method was used to determine the local dipole moment in steps of different heights on Au(111) and on the twofold surface of an Al-Ni-Co decagonal quasicrystal. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. Univ Autonoma Madrid, Dept Fis Mat Condensada, E-28049 Madrid, Spain. RP Salmeron, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM mbsalmeron@lbl.gov RI Saenz, Juan Jose/F-8871-2010; Enachescu, Marius/C-4963-2011; Ribeiro, Raquel/B-9041-2012; Park, Jeong Young/A-2999-2008; Gomez Monivas, Sacha/H-5611-2011; Canfield, Paul/H-2698-2014 OI Saenz, Juan Jose/0000-0002-1411-5648; Ribeiro, Raquel/0000-0001-6075-1701; Gomez Monivas, Sacha/0000-0003-2280-5021; NR 22 TC 40 Z9 40 U1 2 U2 12 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 SEP 23 PY 2005 VL 95 IS 13 AR 136802 DI 10.1103/PhysRevLett.95.136802 PG 4 WC Physics, Multidisciplinary SC Physics GA 966ZA UT WOS:000232060100042 PM 16197163 ER PT J AU Plettner, T Byer, RL Colby, E Cowan, B Sears, CMS Spencer, JE Siemann, RH AF Plettner, T Byer, RL Colby, E Cowan, B Sears, CMS Spencer, JE Siemann, RH TI Visible-laser acceleration of relativistic electrons in a semi-infinite vacuum SO PHYSICAL REVIEW LETTERS LA English DT Article AB We demonstrate a new particle acceleration mechanism using 800 nm laser radiation to accelerate relativistic electrons in a semi-infinite vacuum. The experimental demonstration is the first of its kind and is a proof of principle for the concept of laser-driven particle acceleration in a structure loaded vacuum. We observed up to 30 keV energy modulation over a distance of 1000 lambda, corresponding to a 40 MeV/m peak gradient. The energy modulation was observed to scale linearly with the laser electric field and showed the expected laser-polarization dependence. Furthermore, as expected, laser acceleration occurred only in the presence of a boundary that limited the laser-electron interaction to a finite distance. C1 Stanford Univ, Stanford, CA 94305 USA. SLAC, Menlo Pk, CA 94025 USA. RP Plettner, T (reprint author), Stanford Univ, Stanford, CA 94305 USA. NR 7 TC 69 Z9 70 U1 1 U2 14 PU AMERICAN 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 SEP 23 PY 2005 VL 95 IS 13 AR 134801 DI 10.1103/PhysRevLett.95.134801 PG 4 WC Physics, Multidisciplinary SC Physics GA 966ZA UT WOS:000232060100021 PM 16197142 ER PT J AU Zegkinoglou, I Strempfer, J Nelson, CS Hill, JP Chakhalian, J Bernhard, C Lang, JC Srajer, G Fukazawa, H Nakatsuji, S Maeno, Y Keimer, B AF Zegkinoglou, I Strempfer, J Nelson, CS Hill, JP Chakhalian, J Bernhard, C Lang, JC Srajer, G Fukazawa, H Nakatsuji, S Maeno, Y Keimer, B TI Orbital ordering transition in Ca2RuO4 observed with resonant x-ray diffraction SO PHYSICAL REVIEW LETTERS LA English DT Article ID EXCHANGE SCATTERING; INSULATOR-TRANSITION; MAGNETIC SCATTERING; MOTT TRANSITION; CA2-XSR(X)RUO4 AB Resonant x-ray diffraction performed at the L-II and L-III absorption edges of Ru has been used to investigate the magnetic and orbital ordering in Ca2RuO4 single crystals. A large resonant enhancement due to electric dipole 2p -> 4d transitions is observed at the wave-vector characteristic of antiferromagnetic ordering. Besides the previously known antiferromagnetic phase transition at T-N=110 K, an additional phase transition, between two paramagnetic phases, is observed around 260 K. Based on the polarization and azimuthal angle dependence of the diffraction signal, this transition can be attributed to orbital ordering of the Ru t(2g) electrons. The propagation vector of the orbital order is inconsistent with some theoretical predictions for the orbital state of Ca2RuO4. C1 Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany. Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Kyoto Univ, Dept Phys, Kyoto 6068502, Japan. Kyoto Univ, Int Innovat Ctr, Kyoto 6068501, Japan. RP Zegkinoglou, I (reprint author), Max Planck Inst Festkorperforsch, Heisenbergstr 1, D-70569 Stuttgart, Germany. RI Zegkinoglou, Ioannis/H-2343-2013; Chakhalian, Jak/F-2274-2015 NR 28 TC 39 Z9 40 U1 2 U2 31 PU AMERICAN 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 SEP 23 PY 2005 VL 95 IS 13 AR 136401 DI 10.1103/PhysRevLett.95.136401 PG 4 WC Physics, Multidisciplinary SC Physics GA 966ZA UT WOS:000232060100036 PM 16197157 ER PT J AU Zhu, ZM Kelley, MJ AF Zhu, ZM Kelley, MJ TI IR spectroscopic investigation of the effect of deep UV irradiation on PET films SO POLYMER LA English DT Article; Proceedings Paper CT Symposium on Semicrystalline Polymers held in honor of John D Hoffman CY AUG 22-25, 2004 CL Philadelphia, PA SP Amer Chem Soc, Polymer & Mat Sci Div DE infrared spectroscopy; polymer photochemistry; thin film ID 172 NM IRRADIATION; POLY(ETHYLENE TEREPHTHALATE); POLYETHYLENE TEREPHTHALATE; POLYMER-FILMS; PHOTOCHEMICAL DEGRADATION; INFRARED-SPECTROSCOPY; POLY(ETHYLENE-TEREPHTHALATE); ORIENTATION; SPECTRA; LASER AB Infrared spectroscopy provides a comprehensive view of chemical and conformational structures of molecules. Spin cast amorphous and semicrystalline PET thin films on silicon substrates were investigated with transmission IR to reveal the effect of deep UV (172 nm) irradiation on molecular architecture. Difference spectra by subtracting original samples from the UV treated ones show features consistent with a Norrish type I based decarbonylation and a Norrish type II process producing terminal carboxylic acid groups. Conformation selectivity of the photochemistry is discussed on the basis of three major structure factors related to the formation of a cyclic transition state of the Norrish type II process. Quantitative analysis was carried out by simulating carbonyl stretching band in the difference spectra with ester and acid type carbonyl model spectra. The effects of UV fluence and molecular mobility on quantum yields were elucidated. Quantum yields of 172 nm UV photochemistry in bulk PET were calculated to be no different from those of longer wavelength (200-400 nm). UV modified depth were also estimated by means of plasma etching of the samples. (c) 2005 Elsevier Ltd. All rights reserved. C1 Free Electron Laser Dept, Jefferson Lab, Newport News, VA 23606 USA. Coll William & Mary, Dept Appl Sci, Williamsburg, VA 23187 USA. RP Kelley, MJ (reprint author), Free Electron Laser Dept, Jefferson Lab, 12000 Jefferson Ave, Newport News, VA 23606 USA. EM mkelley@jlab.org NR 38 TC 25 Z9 27 U1 2 U2 16 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0032-3861 J9 POLYMER JI Polymer PD SEP 23 PY 2005 VL 46 IS 20 BP 8883 EP 8891 DI 10.1016/j.polymer.2005.05.135 PG 9 WC Polymer Science SC Polymer Science GA 962YL UT WOS:000231769400026 ER PT J AU Chitanvis, SM Welch, PM AF Chitanvis, SM Welch, PM TI Influence of supercoiling on the disruption of dsDNA SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID STATISTICAL-MECHANICS; DNA; TRANSITION; SEPARATION; DYNAMICS; SITES; MODEL AB We propose that supercoiling energizes double-stranded DNA (dsDNA) so as to facilitate thermal fluctuations to an unzipped state. We support this with a model of two elastic rods coupled via forces that represent base-pair interactions. Supercoiling is shown to lead to a distention of base pairs over a short span of dsDNA. This enhances the thermal probability for their disruption. The localized region of distention is analogous to a soliton. Our theory permits the development of an analogy between the unzipping transition and a second-order phase transition, for which the possibility of a new set of critical exponents is identified. (c) 2005 American Institute of Physics. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Chitanvis, SM (reprint author), Los Alamos Natl Lab, Div Theoret, POB 1663, Los Alamos, NM 87545 USA. EM shirish@lanl.gov NR 19 TC 0 Z9 0 U1 0 U2 0 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 SEP 22 PY 2005 VL 123 IS 12 AR 124901 DI 10.1063/1.2042367 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 969AT UT WOS:000232206500059 PM 16392521 ER PT J AU Curtiss, LA Redfern, PC Raghavachari, K AF Curtiss, LA Redfern, PC Raghavachari, K TI Assessment of Gaussian-3 and density-functional theories on the G3/05 test set of experimental energies SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID CONSISTENT BASIS-SETS; GENERALIZED GRADIENT APPROXIMATION; CORRELATED MOLECULAR CALCULATIONS; ZERO-POINT ENERGIES; EXCHANGE-CORRELATION FUNCTIONALS; HYDROGEN-BONDED COMPLEXES; 3RD-ROW ATOMS K; THERMODYNAMIC PROPERTIES; THERMOCHEMICAL KINETICS; ADJUSTABLE-PARAMETERS AB The G3/99 test set [L. A. Curtiss, K. Raghavachari, P. C. Redfern, and J. A. Pople, J. Chem. Phys. 112, 7374 (2000)] of thermochemical data for validation of quantum chemical methods is expanded to include 78 additional energies including 14 enthalpies of formation of the first- and second-row nonhydrogen molecules, 58 energies of molecules containing the third-row elements K, Ca, and Ga-Kr, and 6 hydrogen-bonded complexes. The criterion used for selecting the additional systems is the same as before, i.e., experimental uncertainties less than +/- 1 kcal/mol. This new set, referred to as the G3/05 test set, has a total of 454 energies. The G3 and G3X theories are found to have mean absolute deviations of 1.13 and 1.01 kcal/mol, respectively, when applied to the G3/05 test set. Both methods have larger errors for the nonhydrogen subset of 79 species for which they have mean absolute deviations of 2.10 and 1.64 kcal/mol, respectively. On all of the other types of energies the G3 and G3X methods are very reliable. The G3/05 test set is also used to assess density-functional methods including a series of new functionals. The most accurate functional for the G3/05 test set is B98 with a mean absolute deviation of 3.33 kcal/mol, compared to 4.14 kcal/mol for B3LYP. The latter functional has especially large errors for larger molecules with a mean absolute deviation of 9 kcal/mol for molecules having 28 or more valence electrons. For smaller molecules B3LYP does as well or better than B98 and the other functionals. It is found that many of the density-functional methods have significant errors for the larger molecules in the test set. (c) 2005 American Institute of Physics. C1 Argonne Natl Lab, Div Sci Mat, Argonne, IL 60439 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Indiana Univ, Dept Chem, Bloomington, IN 47401 USA. RP Curtiss, LA (reprint author), Argonne Natl Lab, Div Sci Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM curtiss@anl.gov NR 69 TC 185 Z9 189 U1 5 U2 31 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 SEP 22 PY 2005 VL 123 IS 12 AR 124107 DI 10.1063/1.2039080 PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 969AT UT WOS:000232206500011 PM 16392475 ER PT J AU Fuentes-Cabrera, M Nicholson, DM Sumpter, BG Widom, M AF Fuentes-Cabrera, M Nicholson, DM Sumpter, BG Widom, M TI Electronic structure and properties of isoreticular metal-organic frameworks: The case of M-IRMOF1 (M=Zn, Cd, Be, Mg, and Ca) SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; SYSTEMS; STORAGE; DESIGN AB We investigate the possibility of tailoring the electronic properties of isoreticular metal-organic materials by replacing the metal atom in the metal-organic cluster and by doping. The electronic structure of M-IRMOF1, where IRMOF1 stands for isoreticular metal-organic framework 1 and M=Be, Mg, Ca, Zn, and Cd, was examined using density-functional theory. The results show that these materials have similar band gaps (ca. 3.5 eV) and a conduction band that is split into two bands, the lower of which has a width that varies with metal substitution. This variation prompted us to investigate whether doping with Al or Li could be used to tailor the electronic properties of the Zn-IRMOF1 and Be-IRMOF1 materials. It is shown that replacing one metal atom with Al can effectively be used to create IRMOFs with different metallic properties. On the other hand, adding Li produces structural changes that render this approach less suitable. (c) 2005 American Institute of Physics. C1 Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. RP Fuentes-Cabrera, M (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. EM fuentescabma@ornl.gov RI Sumpter, Bobby/C-9459-2013; Fuentes-Cabrera, Miguel/Q-2437-2015; Widom, Michael/P-2531-2014 OI Sumpter, Bobby/0000-0001-6341-0355; Fuentes-Cabrera, Miguel/0000-0001-7912-7079; Widom, Michael/0000-0001-5972-5696 NR 24 TC 63 Z9 65 U1 4 U2 37 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD SEP 22 PY 2005 VL 123 IS 12 AR 124713 DI 10.1063/1.2037587 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 969AT UT WOS:000232206500055 PM 16392517 ER PT J AU Kalyuzhnyi, YV Kahl, G Cummings, PT AF Kalyuzhnyi, YV Kahl, G Cummings, PT TI Phase coexistence in a polydisperse charged hard-sphere fluid: Polymer mean spherical approximation SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID RESTRICTED-PRIMITIVE MODEL; IDEAL-CHAIN APPROXIMATION; STICKY 2-POINT MODEL; MONTE-CARLO; ASYMMETRIC ELECTROLYTES; CHEMICAL ASSOCIATION; STATISTICAL THERMODYNAMICS; CRITICALITY; MOLECULES; SYSTEMS AB We have reconsidered the phase behavior of a polydisperse mixture of charged hard spheres (CHSs) introducing the concept of minimal size neutral clusters. We thus take into account ionic association effects observed in charged systems close to the phase boundary where the properties of the system are dominated by the presence of neutral clusters while the amount of free ions or charged clusters is negligible. With this concept we clearly pass beyond the simple level of the mean spherical approximation (MSA) that we have presented in our recent study of a polydisperse mixture of CHS [Yu. V. Kalyuzhnyi, G. Kahl, and P. T. Cummings, J. Chem. Phys. 120, 10133 (2004)]. Restricting ourselves to a 1:1 and possibly size-asymmetric model we treat the resulting polydisperse mixture of neutral, polar dimers within the framework of the polymer MSA, i.e., a concept that-similar as the MSA-readily can be generalized from the case of a mixture with a finite number of components to the polydisperse case: again, the model belongs to the class of truncatable free-energy models so that we can map the formally infinitely many coexistence equations onto a finite set of coupled, nonlinear equations in the generalized moments of the distribution function that characterizes the system. This allows us to determine the full phase diagram (in terms of binodals as well as cloud and shadow curves), we can study fractionation effects on the level of the distribution functions of the coexisting daughter phases, and we propose estimates on how the location of the critical point might vary in a polydisperse mixture with an increasing size asymmetry and polydispersity. (c) 2005 American Institute of Physics. C1 Inst Condensed Matter Phys, UA-79011 Lvov, Ukraine. TU Wien, Ctr Computat Mat Sci, A-1040 Vienna, Austria. TU Wien, Inst Theoret Phys, A-1040 Vienna, Austria. Vanderbilt Univ, Dept Chem Engn, Nashville, TN 37235 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA. RP Kalyuzhnyi, YV (reprint author), Inst Condensed Matter Phys, Svientsitskoho 1, UA-79011 Lvov, Ukraine. EM yukal@icmp.lviv.ua RI Cummings, Peter/B-8762-2013; Kahl, Gerhard/Q-9079-2016 OI Cummings, Peter/0000-0002-9766-2216; Kahl, Gerhard/0000-0002-4375-4684 NR 44 TC 11 Z9 11 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 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD SEP 22 PY 2005 VL 123 IS 12 AR 124501 DI 10.1063/1.2042347 PG 15 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 969AT UT WOS:000232206500028 PM 16392492 ER PT J AU Mielke, SP Gronbech-Jensen, N Krishnan, VV Fink, WH Benham, CJ AF Mielke, SP Gronbech-Jensen, N Krishnan, VV Fink, WH Benham, CJ TI Brownian dynamics simulations of sequence-dependent duplex denaturation in dynamically superhelical DNA SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID ESCHERICHIA-COLI; TORSIONAL STRESS; SUPERCOILED DNA; REPLICATION ORIGIN; UNWINDING ELEMENT; CIRCULAR DNA; TRANSCRIPTION; MECHANISM; DESTABILIZATION; TEMPERATURE AB The topological state of DNA in vivo is dynamically regulated by a number of processes that involve interactions with bound proteins. In one such process, the tracking of RNA polymerase along the double helix during transcription, restriction of rotational motion of the polymerase and associated structures, generates waves of overtwist downstream and undertwist upstream from the site of transcription. The resulting superhelical stress is often sufficient to drive double-stranded DNA into a denatured state at locations such as promoters and origins of replication, where sequence-specific duplex opening is a prerequisite for biological function. In this way, transcription and other events that actively supercoil the DNA provide a mechanism for dynamically coupling genetic activity with regulatory and other cellular processes. Although computer modeling has provided insight into the equilibrium dynamics of DNA supercoiling, to date no model has appeared for simulating sequence-dependent DNA strand separation under the nonequilibrium conditions imposed by the dynamic introduction of torsional stress. Here, we introduce such a model and present results from an initial set of computer simulations in which the sequences of dynamically superhelical, 147 base pair DNA circles were systematically altered in order to probe the accuracy with which the model can predict location, extent, and time of stress-induced duplex denaturation. The results agree both with well-tested statistical mechanical calculations and with available experimental information. Additionally, we find that sites susceptible to denaturation show a propensity for localizing to supercoil apices, suggesting that base sequence determines locations of strand separation not only through the energetics of interstrand interactions, but also by influencing the geometry of supercoiling. (c) 2005 American Institute of Physics. C1 Univ Calif Davis, Biophys Grad Grp, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Div Biomed, Biosci Directorate L448, Livermore, CA 94551 USA. Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA. RP Mielke, SP (reprint author), Univ Calif Davis, Biophys Grad Grp, Davis, CA 95616 USA. EM smielke@lifshitz.ucdavis.edu RI Krishnan, Krish/A-6859-2010; Benham, Craig/G-1512-2013 NR 35 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 SEP 22 PY 2005 VL 123 IS 12 AR 124911 DI 10.1063/1.2038767 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 969AT UT WOS:000232206500069 PM 16392531 ER PT J AU Verdaguer, A Sacha, GM Luna, M Frank Ogletree, D Salmeron, M AF Verdaguer, A Sacha, GM Luna, M Frank Ogletree, D Salmeron, M TI Initial stages of water adsorption on NaCl (100) studied by scanning polarization force microscopy SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID SODIUM-CHLORIDE; NACL(100); CRYSTALS; SURFACES; SIMULATIONS; FILMS AB Scanning polarization force microscopy was used to study the topography, polarizability, and contact potential of cleaved NaCl(100) as a function of the relative humidity (RH) between < 5% and 40%. In this humidity range there are reversible changes in surface potential and polarizability, while large scale modifications in step topography and irreversible ion redistribution occur above 40% RH. In dry conditions the surface contact potential was more negative near atomic steps than over flat terraces. As humidity was increased, changes were observed in the local polarizability of the steps due to ionic solvation, and the contact potential of the terraces became more negative. At 40% RH surface-potential differences between steps and terraces could no longer be detected. These results are interpreted in terms of preferential anion solvation, initially localized near steps, and later spreading over the entire surface. (c) 2005 American Institute of Physics. C1 Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Verdaguer, A (reprint author), Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM mbsalmeron@lbl.gov RI Verdaguer, Albert/A-4303-2008; Gomez Monivas, Sacha/H-5611-2011; Luna, Monica/M-1792-2014; Ogletree, D Frank/D-9833-2016 OI Verdaguer, Albert/0000-0002-4855-821X; Gomez Monivas, Sacha/0000-0003-2280-5021; Luna, Monica/0000-0002-7104-0726; Ogletree, D Frank/0000-0002-8159-0182 NR 27 TC 37 Z9 37 U1 2 U2 16 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD SEP 22 PY 2005 VL 123 IS 12 AR 124703 DI 10.1063/1.1996568 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 969AT UT WOS:000232206500045 PM 16392507 ER PT J AU Borodko, Y Ager, JW Marti, GE Song, H Niesz, K Somorjai, GA AF Borodko, Y Ager, JW Marti, GE Song, H Niesz, K Somorjai, GA TI Structure sensitivity of vibrational spectra of mesoporous silica SBA-15 and Pt/SBA-15 SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID ULTRAVIOLET RAMAN-SPECTROSCOPY; MOLECULAR-SIEVES; NANOPARTICLES; CATALYSTS; TEMPERATURE; PLATINUM; GLASSES; ALUMINA; SOLIDS; SIO2 AB The vibrational properties of mesoporous silica (SBA-15) were investigated by deep ultraviolet (UV) Raman and infrared spectroscopies with and without the presence of platinum nanoparticles in the mesopores that were incorporated by sonication. Raman and IR spectral line assignments were made by comparison to amorphous silicas. This procedure permitted identification of vibrations of longitudinal (LO) and transverse (TO) optical lattice modes, the presence of Si-OH, and vibrational modes associated with the presence of three-, four-, and six-membered siloxane rings. Hydraulic pressing of the mesoporous silica with pressure in the range 3-7 tons cm(-2) destroys the X-ray diffraction pattern and strongly decreases the Raman peak (D-2) associated with three-membered rings at the surface. In the presence of platinum nanoparticles in the silica mesopores, a peak attributed to a Pt-O stretching vibration appears at between 530 and 580 cm(-1) in the UV-Raman spectrum, which can be used to monitor the presence of the platinum particles and their interaction with the support. The D-2 feature in the UV-Raman spectra also decreases with increasing Pt loading, which is attributed to interactions of the Pt nanoparticles with the silica surface. C1 Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Ager, JW (reprint author), Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94720 USA. EM JWAger@lbl.gov; GASomorjai@lbl.gov RI Song, Hyunjoon/C-1638-2011; OI Song, Hyunjoon/0000-0002-1565-5697; Ager, Joel/0000-0001-9334-9751 NR 25 TC 42 Z9 42 U1 4 U2 26 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 SEP 22 PY 2005 VL 109 IS 37 BP 17386 EP 17390 DI 10.1021/jp051801x PG 5 WC Chemistry, Physical SC Chemistry GA 964ZZ UT WOS:000231920800007 PM 16853222 ER PT J AU Zhuang, GRV Xu, K Yang, H Jow, TR Ross, PN AF Zhuang, GRV Xu, K Yang, H Jow, TR Ross, PN TI Lithium ethylene dicarbonate identified as the primary product of chemical and electrochemical reduction of EC in 1.2 m LiPF6/EC : EMC electrolyte SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID IONIZATION-MASS-SPECTROSCOPY; SURFACE-FILM FORMATION; ION BATTERIES; LI-ION; CARBONATE; PROPYLENE; ANODES; SOLVATION; CHEMISTRY; SALTS AB Lithium ethylene dicarbonate ((CH2OCO2Li)(2)) was chemically synthesized and its Fourier transform infrared (FTIR) spectrum was obtained and compared with that of surface films formed on Ni after cyclic voltammetry (CV) in 1.2 M lithium hexafluorophosphate (LiPF6)/ethylene carbonate (EC):ethyl methyl carbonate (EMC) (3:7, w/w) electrolyte and on metallic lithium cleaved in-situ in the same electrolyte. By comparison of IR experimental spectra with that of the synthesized compound, we established that the title compound is the predominant surface species in both instances. Detailed analysis of the IR spectrum utilizing quantum chemical (Hartree-Fock) calculations indicates that intermolecular association through O... Li...O interactions is very important in this compound. It is likely that the title compound in the passivation layer has a highly associated structure, but the exact intermolecular conformation could not be established on the basis of analysis of the IR spectrum. C1 Univ Calif Berkeley, Mat Sci & Environm Energy Technol Div, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. USA, Res Lab, Adelphi, MD 20783 USA. RP Zhuang, GRV (reprint author), Univ Calif Berkeley, Mat Sci & Environm Energy Technol Div, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM GVZhuang@lbl.gov RI Xu, Kang/C-6054-2013; Yang, Hui/B-3249-2012 OI Yang, Hui/0000-0003-4035-8894 NR 22 TC 75 Z9 75 U1 2 U2 48 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 SEP 22 PY 2005 VL 109 IS 37 BP 17567 EP 17573 DI 10.1021/jp052474w PG 7 WC Chemistry, Physical SC Chemistry GA 964ZZ UT WOS:000231920800032 PM 16853247 ER PT J AU Link, JM Yager, PM Anjos, JC Bediaga, I Castromonte, C Machado, AA Magnin, J Massafferri, A de Miranda, JM Pepe, IM Polycarpo, E dos Reis, AC Carrillo, S Casimiro, E Cuautle, E Sanchez-Hernandez, A Uribe, C Vazquez, F Agostino, L Cinquini, L Cumalat, JP O'Reilly, B Segoni, I Stenson, K Butler, JN Cheung, HWK Chiodini, G Gaines, I Garbincius, PH Garren, LA Gottschalk, E Kasper, PH Kreymer, AE Kutschke, R Wang, M Benussi, L Bertani, M Bianco, S Fabbri, FL Pacetti, S Zallo, A Reyes, M Cawlfield, C Kim, DY Rahimi, A Wiss, J Gardner, R Kryemadhi, A Chung, YS Kang, JS Ko, BR Kwak, JW Lee, KB Cho, K Park, H Alimonti, G Barberis, S Boschini, M Cerutti, A D'Angelo, P DiCorato, M Dini, P Edera, L Erba, S Inzani, P Leveraro, F Malvezzi, S Menasce, D Mezzadri, M Moroni, L Pedrini, D Pontoglio, C Prelz, F Rovere, M Sala, S Davenport, TF Arena, V Boca, G Bonomi, G Gianini, G Liguori, G Pegna, DL Merlo, MM Pantea, D Ratti, SP Riccardi, C Vitulo, P Gobel, C Hernandez, H Lopez, AM Mendez, H Paris, A Quinones, J Ramirez, JE Zhang, Y Wilson, JR Handler, T Mitchell, R Engh, D Hosack, M Johns, WE Luiggi, E Moore, JE Nehring, M Sheldon, PD Vaandering, EW Webster, M Sheaff, M AF Link, JM Yager, PM Anjos, JC Bediaga, I Castromonte, C Machado, AA Magnin, J Massafferri, A de Miranda, JM Pepe, IM Polycarpo, E dos Reis, AC Carrillo, S Casimiro, E Cuautle, E Sanchez-Hernandez, A Uribe, C Vazquez, F Agostino, L Cinquini, L Cumalat, JP O'Reilly, B Segoni, I Stenson, K Butler, JN Cheung, HWK Chiodini, G Gaines, I Garbincius, PH Garren, LA Gottschalk, E Kasper, PH Kreymer, AE Kutschke, R Wang, M Benussi, L Bertani, M Bianco, S Fabbri, FL Pacetti, S Zallo, A Reyes, M Cawlfield, C Kim, DY Rahimi, A Wiss, J Gardner, R Kryemadhi, A Chung, YS Kang, JS Ko, BR Kwak, JW Lee, KB Cho, K Park, H Alimonti, G Barberis, S Boschini, M Cerutti, A D'Angelo, P DiCorato, M Dini, P Edera, L Erba, S Inzani, P Leveraro, F Malvezzi, S Menasce, D Mezzadri, M Moroni, L Pedrini, D Pontoglio, C Prelz, F Rovere, M Sala, S Davenport, TF Arena, V Boca, G Bonomi, G Gianini, G Liguori, G Pegna, DL Merlo, MM Pantea, D Ratti, SP Riccardi, C Vitulo, P Gobel, C Hernandez, H Lopez, AM Mendez, H Paris, A Quinones, J Ramirez, JE Zhang, Y Wilson, JR Handler, T Mitchell, R Engh, D Hosack, M Johns, WE Luiggi, E Moore, JE Nehring, M Sheldon, PD Vaandering, EW Webster, M Sheaff, M TI Study of Lambda(+)(c) Cabibbo favored decays containing a Lambda baryon in the final state SO PHYSICS LETTERS B LA English DT Article ID CHARMED BARYON; FOCUS SPECTROMETER; DELTA-C+; MODES AB Using data from the FOCUS experiment (FNAL-E831), we study the decay of Lambda(c)(+) baryons into final states containing a Lambda hyperon. The branching fractions of Lambda(c)(+) into Lambda pi(+), Lambda pi(+)pi(+)pi(-) and Lambda(K) over bar K-0(+) relative to that into pK(-)pi(+) are measured to be 0.217 +/- 0.013 +/- 0.020, 0.508 +/- 0.024 +/- 0.024 and 0.142 +/- 0.018 +/- 0.022, respectively. We also report new measurements of Gamma(Lambda(c)(+)->Sigma(0)pi(+))/Gamma(Lambda(c)(+)->Lambda pi(+)) = 1.09 +/- 0.11 +/- 0.19, Gamma(Lambda(c)(+)->Sigma pi(+)pi(+)pi(-))/Gamma(Lambda(c)(+)->Lambda pi(+)pi(+)pi(-)) = 0.26 +/- 0.06 +/- 0.09 and Gamma(Lambda(c)(+) ->Xi(1690)(0)(Lambda(K) over bar (0))K+)/Gamma(Lambda c+->Lambda(K) over bar K-0(+)) = 0.32 +/- 0.10 +/- 0.04. Further, an analysis of the subresonant structure for the Lambda(c)(+) -> Lambda pi(+)pi(+)pi(-) decay mode is presented. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Calif Davis, Davis, CA 95616 USA. Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, Brazil. CINVESTAV, Mexico City 07000, DF, Mexico. Univ Colorado, Boulder, CO 80309 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Guanajuato, Guanajuato 37150, Mexico. Univ Illinois, Urbana, IL 61801 USA. Indiana Univ, Bloomington, IN 47405 USA. Korea Univ, Seoul 136701, South Korea. Kyungpook Natl Univ, Taegu 702701, South Korea. Ist Nazl Fis Nucl, I-20133 Milan, Italy. Univ Milan, Milan, Italy. Univ N Carolina, Asheville, NC 28804 USA. Univ Pavia, Dipartimento Fis Nucl & Teor, I-27100 Pavia, Italy. Ist Nazl Fis Nucl, I-27100 Pavia, Italy. Pontificia Univ Catolica Rio de Janeiro, Rio De Janeiro, Brazil. Univ Puerto Rico, Mayaguez, PR 00681 USA. Univ S Carolina, Columbia, SC 29208 USA. Univ Tennessee, Knoxville, TN 37996 USA. Vanderbilt Univ, Nashville, TN 37235 USA. Univ Wisconsin, Madison, WI 53706 USA. RP Univ Calif Davis, Davis, CA 95616 USA. EM david.lopes@pv.infn.it RI Bonomi, Germano/G-4236-2010; Kwak, Jungwon/K-8338-2012; Anjos, Joao/C-8335-2013; Link, Jonathan/L-2560-2013; Castromonte Flores, Cesar Manuel/O-6177-2014; Benussi, Luigi/O-9684-2014; Gobel Burlamaqui de Mello, Carla /H-4721-2016; OI Bonomi, Germano/0000-0003-1618-9648; Link, Jonathan/0000-0002-1514-0650; Castromonte Flores, Cesar Manuel/0000-0002-9559-3704; Benussi, Luigi/0000-0002-2363-8889; Gobel Burlamaqui de Mello, Carla /0000-0003-0523-495X; Kutschke, Robert/0000-0001-9315-2879; Kryemadhi, Abaz/0000-0002-1240-2803 NR 18 TC 2 Z9 2 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD SEP 22 PY 2005 VL 624 IS 1-2 BP 22 EP 30 DI 10.1016/j.physletb.2005.08.014 PG 9 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 967DI UT WOS:000232071300003 ER PT J AU Varadarajan, V Norton, DP Budai, JD AF Varadarajan, V Norton, DP Budai, JD TI Phase stability and orientation of SrCu2O2 films grown by pulsed laser deposition SO THIN SOLID FILMS LA English DT Article DE semiconducting oxide; epitaxial growth; pulsed laser deposition ID P-N HETEROJUNCTION; ELECTRONIC-STRUCTURE; CONDUCTIVE OXIDE; THIN-FILMS; TRANSPARENT; FABRICATION; P-SRCU2O2; ZNO AB The formation of SrCu2O2 thin films using pulsed laser deposition is discussed. The SrCu2O2 phase is observed for growth condition outside those observed from thermodynamic bulk studies. The structure and properties of epitaxial SrCu2O2 films on (100) SrTiO3 are described. The epitaxial films grow with the tetragonal a-axis oriented perpendicular to the substrate surface. The in-plane orientation is SrCu2O2 (001)vertical bar vertical bar SrTiO3 {011}. (c) 2005 Published by Elsevier B.V. C1 Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32606 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Norton, DP (reprint author), Univ Florida, Dept Mat Sci & Engn, 100 Rhines Hall, Gainesville, FL 32606 USA. EM dnort@mse.ufl.edu RI Budai, John/R-9276-2016 OI Budai, John/0000-0002-7444-1306 NR 16 TC 10 Z9 11 U1 1 U2 4 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 SEP 22 PY 2005 VL 488 IS 1-2 BP 173 EP 177 DI 10.1016/j.tsf.2005.04.018 PG 5 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 958HM UT WOS:000231435300027 ER PT J AU Jeong, BS Heo, YW Norton, DP Hebard, AF Budai, JD Park, YD AF Jeong, BS Heo, YW Norton, DP Hebard, AF Budai, JD Park, YD TI Properties of anatase CoxTi1-xO2 thin films epitaxially grown by reactive sputtering SO THIN SOLID FILMS LA English DT Article DE titanium oxide; magnetic structures; sputtering ID FERROMAGNETISM; SEMICONDUCTOR; DEPOSITION; (GA,MN)AS AB Epitaxial CoxT1-xO2 anatase thin films were grown on (001)LaAlaO(3) by a reactive RF magnetron co-sputter deposition with water vapor serving as the oxidant. The use of water as the oxygen source proves useful in growing oxygen-deficient, semiconducting CoxTi1-xO2 by reactive sputter deposition, with undoped and Co-doped TiO2 thin films showing n-type semiconductor behavior, with carrier concentrations of 10(17)-10(18) cm(-3). Magnetization measurements of CoxTi1-xO2 (x=0.07) thin films reveal ferromagnetic behavior in M-H loop at room temperature with a saturation magnetization on the order of 0.7 Bohr magnetons/Co. X-ray photoemission spectrometry indicates that the Co cations are in the Co2+ valence state. However, chemical analysis of surface structure indicates that a significant fraction of the cobalt segregates into a Co-Ti-O phase. This suggests that the ferromagnetic moments may reside in oxygen-bound Co that is segregated from the majority anatase phase. (c) 2005 Elsevier B.V All rights reserved. C1 Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. Univ Florida, Dept Phys, Gainesville, FL 32611 USA. Oak Ridge Natl Lab, Div Solid State, Oak Ridge, TN 37831 USA. Seoul Natl Univ, Sch Phys, Seoul 151747, South Korea. RP Norton, DP (reprint author), Univ Florida, Dept Mat Sci & Engn, 100 Rhines Hall,POB 116400, Gainesville, FL 32611 USA. EM dnort@mse.ufl.edu RI Park, Yun/A-9559-2008; Budai, John/R-9276-2016 OI Park, Yun/0000-0001-7699-0432; Budai, John/0000-0002-7444-1306 NR 16 TC 11 Z9 12 U1 1 U2 6 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 SEP 22 PY 2005 VL 488 IS 1-2 BP 194 EP 199 DI 10.1016/j.tsf.2005.04.113 PG 6 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 958HM UT WOS:000231435300031 ER PT J AU Caldeira, K Wickett, ME AF Caldeira, K Wickett, ME TI Ocean model predictions of chemistry changes from carbon dioxide emissions to the atmosphere and ocean SO JOURNAL OF GEOPHYSICAL RESEARCH-OCEANS LA English DT Article ID FOSSIL-FUEL CO2; ANTHROPOGENIC CARBON; MARINE PLANKTON; CORAL-REEFS; SEA; CALCIFICATION; INJECTION; NEUTRALIZATION; STABILIZATION; ACCUMULATION AB We present ocean chemistry calculations based on ocean general circulation model simulations of atmospheric CO2 emission, stabilization of atmospheric CO2 content, and stabilization of atmospheric CO2 achieved in total or in part by injection of CO2 to the deep ocean interior. Our goal is to provide first-order results from various CO2 pathways, allowing correspondence with studies of marine biological effects of added CO2. Parts of the Southern Ocean become undersaturated with respect to aragonite under the Intergovernmental Panel on Climate Change Special Report on Emissions Scenarios (SRES) A1, A2, B1, and B2 emission pathways and the WRE pathways that stabilize CO2 at 650 ppm or above. Cumulative atmospheric emission of 5000 Pg C produces aragonite undersaturation in most of the surface ocean; 10,000 Pg C also produces calcite undersaturation in most of the surface ocean. Stabilization of atmospheric CO2 at 450 ppm produces both calcite and aragonite undersaturation in most of the deep ocean. The simulated SRES pathways produce global surface pH reductions of similar to 0.3-0.5 units by year 2100. Approximately this same reduction is produced by WRE650 and WRE1000 stabilization scenarios and by the 1250 Pg C emission scenario by year 2300. Atmospheric emissions of 5000 Pg C and 20,000 Pg C produce global surface pH reductions of 0.8 and 1.4 units, respectively, by year 2300. Simulations of deep ocean CO2 injection as an alternative to atmospheric release show greater chemical impact on the deep ocean as the price for having less impact on the surface ocean and climate. Changes in ocean chemistry of the magnitude shown are likely to be biologically significant. C1 Carnegie Inst Sci, Dept Global Ecol, Stanford, CA 94305 USA. Lawrence Livermore Natl Lab, Ctr Appl Computat Sci, Livermore, CA 94550 USA. RP Caldeira, K (reprint author), Carnegie Inst Sci, Dept Global Ecol, 260 Panama St, Stanford, CA 94305 USA. EM kcaldeira@globalecology.stanford.edu; wickett@llnl.gov RI Caldeira, Ken/E-7914-2011 NR 50 TC 0 Z9 0 U1 17 U2 76 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9275 J9 J GEOPHYS RES-OCEANS JI J. Geophys. Res.-Oceans PD SEP 21 PY 2005 VL 110 IS C9 AR C09S04 DI 10.1029/2004JC002671 PG 12 WC Oceanography SC Oceanography GA 968RU UT WOS:000232180700004 ER PT J AU Close, S Oppenheim, M Durand, D Dyrud, L AF Close, S Oppenheim, M Durand, D Dyrud, L TI A new method for determining meteoroid mass from head echo data SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID DECELERATION; IONIZATION; SCATTERING; INFLUX; TRAINS AB A head echo is the radar reflection from the plasma immediately surrounding a meteoroid upon its entry into the Earth's atmosphere; analysis of these plasmas can help determine a parent meteoroid's inherent properties, such as mass. In the past, meteoroid mass was calculated using head echo velocity and deceleration data by assuming momentum conservation between the meteoroid and air molecule. We refer to such masses as "dynamical masses." This method, however, can only be used to determine meteoroid mass if either the meteoroid radius or density is assumed. In this paper, we expound upon a new method for determining a meteoroid's mass by utilizing our new spherical scattering theory. This theory allows us to use head echo measurements to calculate head echo plasma density. Then, by using the plasma density in an established formula that estimates the ratio of unionized to ionized material produced by an ablating meteoroid, we can determine a meteoroid's mass. We refer to such masses as "scattering masses." We show that our new mass determination method applies to head echoes detected simultaneously at VHF and UHF and verify that the meteoroid mass is the same at both frequencies. We conclude with a comparison between dynamical and scattering masses and show that in general, these methods agree to within an order of magnitude. C1 MIT, Lincoln Lab, Grp 91, Lexington, MA 02420 USA. Boston Univ, Ctr Space Phys, Boston, MA 02215 USA. RP Close, S (reprint author), Los Alamos Natl Lab, Mail Stop B244, Los Alamos, NM 87545 USA. EM sigrid@lanl.gov OI Oppenheim, Meers/0000-0002-8581-6177 NR 23 TC 20 Z9 20 U1 0 U2 1 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD SEP 21 PY 2005 VL 110 IS A9 AR A09308 DI 10.1029/2004JA010950 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 968SN UT WOS:000232182700002 ER PT J AU Si, QM Zhu, JX Grempel, DR AF Si, QM Zhu, JX Grempel, DR TI Magnetic quantum phase transitions in Kondo lattices SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Review ID FERMI-LIQUID BEHAVIOR; MEAN-FIELD THEORY; SPIN-GLASS; SPATIAL CORRELATIONS; INFINITE DIMENSIONS; MOTT TRANSITION; CRITICAL-POINT; LARGE-N; MODEL; SYSTEMS AB The identification of magnetic quantum critical points in heavy fermion metals has provided an ideal setting for experimentally studying quantum criticality. Motivated by these experiments, considerable theoretical efforts have recently been devoted to re-examining the interplay between Kondo screening and magnetic interactions in Kondo lattice systems. A local quantum critical picture has emerged, in which magnetic interactions suppress Kondo screening precisely at the magnetic quantum critical point (QCP). The Fermi surface undergoes a large reconstruction across the QCP and the coherence scale of the Kondo lattice vanishes at the QCP The dynamical spin susceptibility exhibits omega/T scaling and non-trivial exponents describe the temperature and frequency dependences of various physical quantities. These properties are to be contrasted with the conventional spin density wave picture, in which the Kondo screening is not suppressed at the QCP and the Fermi surface evolves smoothly across the phase transition. In this article we discuss recent microscopic studies of Kondo lattices within an extended dynamical mean field theory (EDMFT). We summarize the earlier work based on an analytical c-expansion renormalization group method, and expand on the more recent numerical results. We also discuss the issues that have been raised concerning the magnetic phase diagram. We show that the zero-temperature magnetic transition is second order when double counting of the Ruderman-Kittel-Kasuya-Yosida interactions is avoided in EDMFT. C1 Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. CEA Saclay, DSM, DRECAM, SPCSI, F-91191 Gif Sur Yvette, France. RP Si, QM (reprint author), Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA. NR 63 TC 15 Z9 15 U1 0 U2 7 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 SEP 21 PY 2005 VL 17 IS 37 BP R1025 EP R1040 DI 10.1088/0953-8984/17/37/R01 PG 16 WC Physics, Condensed Matter SC Physics GA 973VM UT WOS:000232550700001 ER PT J AU Beleggia, M De Graef, M Millev, YT Goode, DA Rowlands, G AF Beleggia, M De Graef, M Millev, YT Goode, DA Rowlands, G TI Demagnetization factors for elliptic cylinders SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article ID MAGNETIC NANOELEMENTS; METASTABLE STATES; SHAPE; COMPUTATION; PARTICLES; ENERGY; TENSOR AB The magnetometric (volume averaged) demagnetization factors for cylinders with elliptical cross section are computed using a Fourier-space approach and compared with similar results obtained with a different treatment. The demagnetization factors are given as a series expansion in the eccentricity epsilon of the elliptical cross section, where the terms up to order epsilon(10) are given explicitly as a function of the cylinder aspect ratio. Other simplified expressions, valid in restricted regimes, are also given. Two different series expansions, obtained previously and valid in particular combinations of shape parameters, are recalled and compared with the new results. After the computation of the magnetostatic and exchange-energy terms associated with a vortex closure-domain state in the elliptic cylinder, the single-domain limit, or the critical size below which the structure can support quasi-uniform magnetization, is derived and discussed. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. Amer Phys Soc, Ridge, NY 11961 USA. Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. RP Beleggia, M (reprint author), Brookhaven Natl Lab, Bldg 480, Upton, NY 11973 USA. EM beleggia@bnl.gov RI Millev, Yonko /C-8758-2012; DeGraef, Marc/G-5827-2010; OI DeGraef, Marc/0000-0002-4721-6226; MIllev, Yonko/0000-0002-2059-3275; Beleggia, Marco/0000-0002-2888-1888 NR 27 TC 60 Z9 60 U1 3 U2 18 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 SEP 21 PY 2005 VL 38 IS 18 BP 3333 EP 3342 DI 10.1088/0022-3727/38/18/001 PG 10 WC Physics, Applied SC Physics GA 972KO UT WOS:000232452900002 ER PT J AU Peng, HS Tang, J Pang, JB Chen, DY Yang, L Ashbaugh, HS Brinker, CJ Yang, ZZ Lu, YF AF Peng, HS Tang, J Pang, JB Chen, DY Yang, L Ashbaugh, HS Brinker, CJ Yang, ZZ Lu, YF TI Polydiacetylene/silica nanocomposites with tunable mesostructure and thermochromatism from diacetylenic assembling molecules SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID POLYMERIZATION; CRYSTALS; POLYMERS; VESICLES; SENSORS C1 Tulane Univ, Dept Chem & Biomol Engn, New Orleans, LA 70118 USA. Fudan Univ, Dept Macromol Sci, Shanghai 200433, Peoples R China. Sandia Natl Labs, Albuquerque, NM 87106 USA. Univ New Mexico, Albuquerque, NM 87106 USA. Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China. RP Yang, ZZ (reprint author), Tulane Univ, Dept Chem & Biomol Engn, New Orleans, LA 70118 USA. EM ylu@tulane.edu RI Yang, Lu/A-5446-2010; Ashbaugh, Henry/C-9767-2011; 杨, 振忠/B-5929-2015; Peng, Huisheng/G-8867-2011 NR 16 TC 86 Z9 89 U1 2 U2 48 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 SEP 21 PY 2005 VL 127 IS 37 BP 12782 EP 12783 DI 10.1021/ja053966p PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 965CY UT WOS:000231928800017 PM 16159255 ER PT J AU Huang, JF Luo, HM Liang, CD Sun, IW Baker, GA Dai, S AF Huang, JF Luo, HM Liang, CD Sun, IW Baker, GA Dai, S TI Hydrophobic bronsted acid-base ionic liquids based on PAMAM dendrimers with high proton conductivity and blue photoluminescence SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID CATALYSIS; SILICA; HTFSI C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Natl Cheng Kung Univ, Dept Chem, Tainan 70101, Taiwan. RP Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM dais@ornl.gov RI Liang, Chengdu/G-5685-2013; Baker, Gary/H-9444-2016; Dai, Sheng/K-8411-2015 OI Baker, Gary/0000-0002-3052-7730; Dai, Sheng/0000-0002-8046-3931 NR 24 TC 115 Z9 120 U1 7 U2 52 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 SEP 21 PY 2005 VL 127 IS 37 BP 12784 EP 12785 DI 10.1021/ja053965x PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 965CY UT WOS:000231928800018 PM 16159256 ER PT J AU Han, WQ Wu, LJ Zhu, YM AF Han, WQ Wu, LJ Zhu, YM TI Formation and oxidation state of CeO2-x nanotubes SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID OXIDE NANOPARTICLES; CERIA; FABRICATION; TEMPLATES; NANORODS; ARRAYS; FILMS C1 Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Han, WQ (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM whan@bnl.gov RI Han, WQ/E-2818-2013 NR 28 TC 174 Z9 180 U1 8 U2 81 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 SEP 21 PY 2005 VL 127 IS 37 BP 12814 EP 12815 DI 10.1021/ja054533p PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 965CY UT WOS:000231928800033 PM 16159271 ER PT J AU Ji, N Shen, YR AF Ji, N Shen, YR TI A dynamic coupling model for sum frequency chiral response from liquids composed of molecules with a chiral side chain and an achiral chromophore SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID OPTICAL ROTATORY DISPERSION; DENSITY-FUNCTIONAL THEORY; CIRCULAR-DICHROISM; AMINO-ACIDS; L-ALANINE; VACUUM-ULTRAVIOLET; AQUEOUS-SOLUTION; GAS-PHASE; C-C; BONDS AB A theoretical formulation for optically active sum frequency generation (OA-SFG) from isotropic chiral solutions was proposed for molecules with a chiral side chain and an intrinsically achiral chromophore. Adapting an electron correlation model first proposed by Hohn and Weigang for linear optical activity, we presented a dynamic coupling model for OA-SFG near the electronic resonance of the achiral chromophore. As a demonstration, we used this model to explain the observed OA-SFG spectra of a series of amino acids near the electronic resonance of the intrinsically achiral carboxyl group. Our model shows that the nonlinear chiroptical response comes about by the through-space correlative electronic interactions between the chiral side chain and the achiral chromophore, and its magnitude is determined by the position and orientation of the bonds that make up the chiral side chain. Using the bond polarizability values in the literature and the conformations of amino acids obtained from calculation, we were able to reproduce the relative OA-SFG strength from a series of amino acids. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Shen, YR (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM yrshen@calmail.berkeley.edu NR 44 TC 6 Z9 6 U1 1 U2 10 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 SEP 21 PY 2005 VL 127 IS 37 BP 12933 EP 12942 DI 10.1021/ja052715d PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 965CY UT WOS:000231928800049 PM 16159287 ER PT J AU Batarin, VA Butler, J Davidenkoa, AM Derevschikov, AA Goncharenko, YM Grishin, VN Kachanov, VA Konstantinov, AS Kravtsov, VI Kubota, Y Matulenko, LA Melnick, YM Meschanin, AP Mikhalin, NE Minaev, NG Mochalov, VV Morozov, DA Nogach, LV Ryazantsev, AV Semenov, PA Semenov, VK Shestermanov, KE Soloviev, LF Stone, S Uzunian, AV Vasiliev, AN Yakutin, AE Yarba, J AF Batarin, VA Butler, J Davidenkoa, AM Derevschikov, AA Goncharenko, YM Grishin, VN Kachanov, VA Konstantinov, AS Kravtsov, VI Kubota, Y Matulenko, LA Melnick, YM Meschanin, AP Mikhalin, NE Minaev, NG Mochalov, VV Morozov, DA Nogach, LV Ryazantsev, AV Semenov, PA Semenov, VK Shestermanov, KE Soloviev, LF Stone, S Uzunian, AV Vasiliev, AN Yakutin, AE Yarba, J TI Correlation of beam electron and LED signal losses under irradiation and long-term recovery of lead tungstate crystals SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE scintillating crystal; lead tungstate; energy calibration ID BTEV ELECTROMAGNETIC CALORIMETER; PROTOTYPE; DAMAGE; PION AB Radiation damage in lead tungstate crystals reduces their transparency. The calibration that relates the amount of light detected in such crystals to incident energy of photons or electrons is of paramount importance to maintaining the energy resolution the detection system. We report on tests of lead tungstate crystals, read out by photomultiplier tubes, exposed to irradiation by monoenergetic electron or pion beams. The beam electrons themselves were used to measure the scintillation light output, and a blue light emitting diode (LED) was used to track variations of crystals transparency. We report on the correlation of the LED measurement with radiation damage by the beams and also show that it can accurately monitor the crystal recovery from such damage. (c) 2005 Elsevier B.V. All rights reserved. C1 Inst High Energy Phys, Protvino, Russia. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Minnesota, Minneapolis, MN 55455 USA. Syracuse Univ, Syracuse, NY 13244 USA. RP Ryazantsev, AV (reprint author), Inst High Energy Phys, Protvino, Russia. EM ryazants@ihep.ru RI Semenov, Vitaliy/E-9584-2017 NR 12 TC 8 Z9 8 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 SEP 21 PY 2005 VL 550 IS 3 BP 543 EP 550 DI 10.1016/j.nima.2005.04.090 PG 8 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 996UK UT WOS:000234200400005 ER PT J AU Solano, BP Abreu, MC Avati, V Boccali, T Boccone, V Bozzo, M Capra, R Casagrande, L Chen, W Eggert, K Heijne, E Klauke, S Li, Z Maki, T Mirabito, L Morelli, A Niinikoski, TO Oljemark, F Palmieri, VG Mendes, PR Rodrigues, S Siegrist, P Silvestris, L Sousa, P Tapprogge, S Trocme, B AF Solano, BP Abreu, MC Avati, V Boccali, T Boccone, V Bozzo, M Capra, R Casagrande, L Chen, W Eggert, K Heijne, E Klauke, S Li, Z Maki, T Mirabito, L Morelli, A Niinikoski, TO Oljemark, F Palmieri, VG Mendes, PR Rodrigues, S Siegrist, P Silvestris, L Sousa, P Tapprogge, S Trocme, B TI Edge sensitivity of "edgeless" silicon pad detectors measured in a high-energy beam SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE silicon diode detector; edgeless detector; cryogenic; edge sensitivity; high-energy test beam AB We report measurements in a high-energy beam of the sensitivity of the edge region in "edgeless" planar silicon pad diode detectors. The edgeless side of these rectangular diodes is formed by a cut and break through the contact implants. A large surface current on such an edge prevents the normal reverse biasing of this device above the full depletion voltage, but we have shown that the current can be sufficiently reduced by the use of a suitable cutting method, followed by edge treatment, and by operating the detector at a low temperature. A pair of these edgeless silicon diode pad sensors was exposed to the X5 high-energy pion beam at CERN, to deter-mine the edge sensitivity. The signal of the detector pair triggered a reference telescope made of silicon microstrip detector modules. The gap width between the edgeless sensors, determined using the tracks measured by the reference telescope, was then compared with the results of precision metrology. It was concluded that the depth of the dead layer at the diced edge is compatible with zero within the statistical precision of +/- 8 mu m and systematic error of +/- 6 mu m. (c) 2005 Elsevier B.V. All rights reserved. C1 CERN, CH-1211 Geneva 23, Switzerland. Univ Algarve, P-8000 Faro, Portugal. LIP, P-8000 Faro, Portugal. Ist Nazl Fis Nucl, Sez Pisa, Pisa, Italy. Scuola Normale Super Pisa, Pisa, Italy. Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. Univ Genoa, Genoa, Italy. Ist Nazl Fis Nucl, Sez Roma 2, Rome, Italy. Univ Roma Tor Vergata, I-00173 Rome, Italy. Brookhaven Natl Lab, Upton, NY 11973 USA. Helsinki Inst Phys, Helsinki, Finland. Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. Inst Phys Nucl, F-69622 Villeurbanne, France. RP Solano, BP (reprint author), CERN, CH-1211 Geneva 23, Switzerland. EM blanca.perea.solano@cern.ch RI Rato Mendes, Pedro/F-8827-2010; OI Rato Mendes, Pedro/0000-0001-9929-0869; Abreu, Maria Conceicao/0000-0003-0093-7496; Boccali, Tommaso/0000-0002-9930-9299; Osterberg, Kenneth/0000-0003-4807-0414 NR 7 TC 0 Z9 0 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 SEP 21 PY 2005 VL 550 IS 3 BP 567 EP 580 DI 10.1016/j.nima.2005.05.065 PG 14 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 996UK UT WOS:000234200400008 ER PT J AU Siciliano, ER Ely, JH Kouzes, RT Milbrath, BD Schweppe, JE Stromswold, DC AF Siciliano, ER Ely, JH Kouzes, RT Milbrath, BD Schweppe, JE Stromswold, DC TI Comparison of PVT and NaI(Tl) scintillators for vehicle portal monitor applications SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE plastic scintillator; sodium iodide; portal monitors; radiation detection; border security AB The demand for radiation portal monitor (RPM) systems has increased, and their capabilities are being further scrutinized as they are being applied to the task of detecting nuclear weapons, special nuclear material, and radiation dispersal device materials that could appear at borders. The requirements and constraints on RPM systems deployed at high-volume border crossings are significantly different from those at weapons facilities or steel recycling plants, where RPMs have been historically employed. In this new homeland security application, RPM systems must rapidly detect localized sources of radiation with a very high detection probability and low false-alarm rate, while screening all of the traffic without impeding the flow of commerce. In light of this new Department of Homeland Security application, the capabilities of two popular gamma-ray-detector materials as applied to these needs are re-examined. Both experimental data and computer simulations, together with practical deployment experience, are used to assess currently available polyvinyltoluene and Nal(TI) gamma-ray detectors for border applications. (c) 2005 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Kouzes, RT (reprint author), Pacific NW Natl Lab, MS P8-20,POB 999, Richland, WA 99352 USA. EM richard.kouzes@pnl.gov NR 9 TC 45 Z9 47 U1 1 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 SEP 21 PY 2005 VL 550 IS 3 BP 647 EP 674 DI 10.1016/j.nima.2005.05.056 PG 28 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 996UK UT WOS:000234200400016 ER PT J AU Graf, D Choi, ES Brooks, JS Dias, JC Henriques, RT Almeida, M Matos, M Rickel, D AF Graf, D Choi, ES Brooks, JS Dias, JC Henriques, RT Almeida, M Matos, M Rickel, D TI Charge density wave to mixed density wave phase transition at high fields in (Per)(2)M(mnt)(2) (M = Au, Pt) SO SYNTHETIC METALS LA English DT Article; Proceedings Paper CT International Conference on Science and Technology of Synthetic Metals CY JUN 28-JUL 02, 2004 CL Wollongong, AUSTRALIA DE Q1D organic conductors; charge density wave; charge transfer salts ID MAGNETIC-FIELD; PEIERLS TRANSITION; DEPENDENCE AB The ground states of the quasi-one-dimensional organic metal (Per)(2)M(mnt)(2) (where M = An and Pt) were investigated by transport and magnetization measurements in magnetic fields of 33 and 45 tesla. The low field charge density wave transition temperature is suppressed by applied fields and a high field insulating state is introduced. We also report preliminary results of the effect of quasi-hydrostatic pressure on the charge density wave ground state and high field insulating state. The results will be discussed within the context of a contemporary model of high field density wave behavior. C1 Florida State Univ, Dept Phys, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. Inst Tecnol & Nucl, Dept Quim, P-2686953 Sacavem, Portugal. Inst Super Engn Lisboa, Dept Engn Quim, P-1900 Lisbon, Portugal. Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. RP Graf, D (reprint author), Florida State Univ, Dept Phys, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. EM graf@magnet.fsu.edu RI Almeida, Manuel/B-5227-2011; OI Almeida, Manuel/0000-0003-2222-5641; Henriques, Rui/0000-0002-3691-0829; Matos, Manuel/0000-0002-5240-8070 NR 10 TC 1 Z9 1 U1 0 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0379-6779 J9 SYNTHETIC MET JI Synth. Met. PD SEP 21 PY 2005 VL 153 IS 1-3 SI SI BP 361 EP 364 DI 10.1016/j.synthmet.2005.07.306 PN 2 PG 4 WC Materials Science, Multidisciplinary; Physics, Condensed Matter; Polymer Science SC Materials Science; Physics; Polymer Science GA 971PB UT WOS:000232395300092 ER PT J AU Bangura, AF Goddard, PA Tozer, S Coldea, AI McDonald, RD Singleton, J Ardavan, A Schleuter, J AF Bangura, AF Goddard, PA Tozer, S Coldea, AI McDonald, RD Singleton, J Ardavan, A Schleuter, J TI Angle-dependent magneto-transport measurements on kappa-(BEDT-TTF)(2)Cu(NCS)(2) under pressure SO SYNTHETIC METALS LA English DT Article; Proceedings Paper CT International Conference on Science and Technology of Synthetic Metals CY JUN 28-JUL 02, 2004 CL Wollongong, AUSTRALIA DE magnetotransport; organic superconductors ID HIGH MAGNETIC-FIELDS; SUPERCONDUCTORS AB Magnetotransport measurements have been performed on single crystals Of kappa-(BEDT-TTF)(2)Cu(NCS)(2) in fields of up to 33 T at temperatures between 500 mK and 4.2K. Using a diamond anvil cell mounted on a goniometer, measurements of the angle and temperature dependence of the interlayer resistance, R-zz, under hydrostatic pressures between 1.1 kbar and 17.3 kbar were performed. For the first time we have been able to measure angle-dependent magnetoresistance oscillations under pressure due to both the 1D and 2D Fermi surfaces in addition to Shubnikov de Haas oscillations. The results show that the shape of the elliptical quasi-2D Fermi-pocket is more elongated under a hydrostatic pressure of 9.8 kbar compared with ambient pressure. When the magnetic field B is close to parallel to the highly conductive plane, bc, a peak in R-zz is observed with an angular width determined by the ratio of the maximum inter- and intra-layer Fermi velocities. The width of this peak is found to increase with pressure suggesting that the Fermi surface becomes more three-dimensional upon application of pressure. C1 Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Bangura, AF (reprint author), Univ Oxford, Dept Phys, Clarendon Lab, Parks Rd, Oxford OX1 3PU, England. RI Coldea, Amalia/C-1106-2013; McDonald, Ross/H-3783-2013; Goddard, Paul/A-8638-2015 OI McDonald, Ross/0000-0002-0188-1087; Goddard, Paul/0000-0002-0666-5236 NR 10 TC 2 Z9 2 U1 0 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0379-6779 J9 SYNTHETIC MET JI Synth. Met. PD SEP 21 PY 2005 VL 153 IS 1-3 SI SI BP 449 EP 452 DI 10.1016/j.synthmet.2005.07.328 PN 2 PG 4 WC Materials Science, Multidisciplinary; Physics, Condensed Matter; Polymer Science SC Materials Science; Physics; Polymer Science GA 971PB UT WOS:000232395300114 ER PT J AU Ramirez-Ruiz, E Garcia-Segura, G Salmonson, JD Perez-Rendon, B AF Ramirez-Ruiz, E Garcia-Segura, G Salmonson, JD Perez-Rendon, B TI The state of the circumstellar medium surrounding gamma-ray burst sources and its effect on the afterglow appearance SO ASTROPHYSICAL JOURNAL LA English DT Article DE gamma rays : bursts; ISM : jets and outflows; polarization; radiation mechanisms : nonthermal; relativity; shock waves ID RELATIVISTIC BLAST WAVES; DENSITY-JUMP MEDIUM; TIME SEQUENCE O; MASSIVE STARS; RADIO AFTERGLOW; SUPERNOVA CONNECTION; INTERSTELLAR BUBBLES; LIGHT CURVES; BLACK-HOLES; EVOLUTION AB We present a numerical investigation of the contribution of the presupernova ejecta of Wolf-Rayet stars to the environment surrounding gamma-ray bursts (GRBs) and describe how this external matter can affect the observable afterglow characteristics. An implicit hydrodynamic calculation for massive stellar evolution is used here to provide the inner boundary conditions for an explicit hydrodynamical code to model the circumstellar gas dynamics. The resulting properties of the circumstellar medium are then used to calculate the deceleration of a relativistic, gasdynamical jet and the corresponding afterglow light curve produced as the shock wave propagates through the shocked wind medium. We find that variations in the stellar wind drive instabilities that may produce radial filaments in the shocked wind region. These comet-like tails of clumps could give rise to strong temporal variations in the early afterglow light curve. Afterglows may be expected to differ widely among themselves, depending on the angular anisotropy of the jet and the properties of the stellar progenitor; a wide diversity of behaviors may be the rule, rather than the exception. C1 Inst Adv Study, Princeton, NJ 08540 USA. Univ Nacl Autonoma Mexico, Inst Astron, Ensenada 22800, Baja California, Mexico. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Univ Sonora, Sonora, Mexico. RP Ramirez-Ruiz, E (reprint author), Inst Adv Study, Einstein Dr, Princeton, NJ 08540 USA. EM enrico@ias.edu; ggs@astrosen.unam.mx; salmonson@llnl.gov NR 80 TC 50 Z9 50 U1 0 U2 5 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 SEP 20 PY 2005 VL 631 IS 1 BP 435 EP 445 PN 1 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 965OD UT WOS:000231959100031 ER PT J AU Martin, MG Biddy, MJ AF Martin, MG Biddy, MJ TI Monte Carlo molecular simulation predictions for the heat of vaporization of acetone and butyramide SO FLUID PHASE EQUILIBRIA LA English DT Article DE Towhee; Monte Carlo; heat of vaporization ID FORCE-FIELD; FLUIDS AB Vapor pressure and heats of vaporization are computed for the industrial fluid properties simulation challenge (IFPSC) data set using the Towhee Monte Carlo molecular simulation program. Results are presented for the CHARMM27 and OPLS-aa force fields. Once again, the average result using multiple force fields is a better predictor of the experimental value than either individual force field. (c) 2005 Published by Elsevier B.V. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ Wisconsin, Dept Biol & Chem Engn, Madison, WI 53706 USA. RP Martin, MG (reprint author), Sandia Natl Labs, POB 5800,Mail Stop 1110, Albuquerque, NM 87185 USA. EM marmart@sandia.gov NR 7 TC 23 Z9 23 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-3812 J9 FLUID PHASE EQUILIBR JI Fluid Phase Equilib. PD SEP 20 PY 2005 VL 236 IS 1-2 BP 53 EP 57 DI 10.1016/j.fluid.2005.06.003 PG 5 WC Thermodynamics; Chemistry, Physical; Engineering, Chemical SC Thermodynamics; Chemistry; Engineering GA 971MN UT WOS:000232388500005 ER PT J AU Stinis, P AF Stinis, P TI A maximum likelihood algorithm for the estimation and renormalization of exponential densities SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE maximum likelihood; Monte Carlo; renormalization; exponential densities; Levenberg-Marquardt algorithm AB We present an algorithm based on maximum likelihood for the estimation and renormalization (marginalization) of exponential densities. The moment-matching problem resulting from the maximization of the likelihood is solved as an optimization problem using the Levenberg-Marquardt algorithm. In the case of renormalization, the moments needed to set up the moment-matching problem are evaluated using Swendsen's renormalization method. We focus on the renormalization version of the algorithm, where we demonstrate its use by computing the critical temperature of the two-dimensional Ising model. Possible applications of the algorithm are discussed. (c) 2005 Elsevier Inc. All rights reserved. C1 Lawrence Berkeley Natl Lab, Dept Math, Berkeley, CA 94720 USA. RP Stinis, P (reprint author), Lawrence Berkeley Natl Lab, Dept Math, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM stinis@math.lbl.gov NR 15 TC 6 Z9 6 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 J9 J COMPUT PHYS JI J. Comput. Phys. PD SEP 20 PY 2005 VL 208 IS 2 BP 691 EP 703 DI 10.1016/j.jcp.2005.03.001 PG 13 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 936NN UT WOS:000229862800013 ER PT J AU Kim, K Graf, PA Jones, WB AF Kim, K Graf, PA Jones, WB TI A genetic algorithm based inverse band structure method for semiconductor alloys SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE genetic algorithms; inverse problem; material design; electronic structure; pseudopotentials; optimization ID INAS/GAAS QUANTUM DOTS; ELECTRONIC-STRUCTURE; PHASE-DIAGRAMS; PSEUDOPOTENTIALS; SUPERLATTICES; ENERGY AB We present an efficient and accurate method for searching for atomic configurations with target band structure properties. Our approach to this inverse problem is to search the atomic configuration space by repeatedly applying a forward solver, guiding the search toward the optimal configuration using a genetic algorithm. For the forward solver, we relax the atomic positions, then solve the Schrodinger equation using a fast empirical pseudopotential method. We employ a hierarchical parallelism for the combined forward solver and genetic algorithm. This enables the optimization process to run on many more processors than would otherwise be possible. We have optimized AlGaAs alloys for maximum bandgap and minimum bandgap for several given compositions and discuss the results. This approach can be generalized to a wide range of applications in material design. (c) 2005 Elsevier Inc. All rights reserved. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Kim, K (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM kwiseon_kim@nrel.gov NR 35 TC 27 Z9 27 U1 1 U2 9 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 SEP 20 PY 2005 VL 208 IS 2 BP 735 EP 760 DI 10.1016/j.jcp.2005.03.005 PG 26 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 936NN UT WOS:000229862800015 ER PT J AU Smith, JS Bedrov, D Smith, GD Kober, EM AF Smith, JS Bedrov, D Smith, GD Kober, EM TI Thermodynamic and conformational changes upon stretching a poly(dimethylsiloxane) chain in the melt SO MACROMOLECULES LA English DT Article ID MOLECULAR-DYNAMICS; STIFF CHAINS; SIMULATIONS; MECHANICS; TENSION; DNA AB Molecular dynamics simulations using umbrella sampling methods to sample the free energy of stretching a poly(dimethylsiloxane) (PDMS) oligomer (M-w = 904 g/mol) in a melt of PDMS oligomers were performed at 300 K. The free energy of stretching and restoring force were found to be mainly a result of the changes in entropy of the chain as the chain was contracted or stretched, and only at severe extensions do energetic contributions due to deformation of internal bends make a significant contribution to the free energy. The changes in entropy with chain extension were found to be due to restrictions in the polymer dihedral sequences, where the average torsional distribution did not change appreciably until severe extensions. Because the PDMS chain studied is only between 3 and 4 statistical segments in length, the force and free energy could not be fit with the exact solutions of the Gaussian or freely jointed chain models over the region of moderate to high stretching, but the wormlike chain model fit well with deviations only at severe extensions. Excellent agreement, even at severe extensions, was achieved using an extensible wormlike chain model wherein the changes in the chain length smaller than the persistence length (determined from the simulations) were used to adjust the end-to-end distances of the chain. Results are compared with previous PDMS stretching simulations in the literature. C1 Univ Utah, Dept Mat Sci & Engn, Salt Lake City, UT 84112 USA. Univ Utah, Dept Chem Engn, Salt Lake City, UT 84112 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Univ Utah, Dept Mat Sci & Engn, 122 S Cent Campus Dr,Room 304, Salt Lake City, UT 84112 USA. NR 32 TC 9 Z9 9 U1 0 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 EI 1520-5835 J9 MACROMOLECULES JI Macromolecules PD SEP 20 PY 2005 VL 38 IS 19 BP 8101 EP 8107 DI 10.1021/ma050772l PG 7 WC Polymer Science SC Polymer Science GA 964RJ UT WOS:000231897900032 ER PT J AU Kazantsev, AV Krivenko, AA Harrington, DJ Holbrook, SR Adams, PD Pace, NR AF Kazantsev, AV Krivenko, AA Harrington, DJ Holbrook, SR Adams, PD Pace, NR TI Crystal structure of a bacterial ribonuclease P RNA SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE ribozyme; RNA crystallography; tRNA processing ID METAL-ION BINDING; LARGE RIBOSOMAL-SUBUNIT; PRE-TRANSFER-RNA; BACILLUS-SUBTILIS; ACTIVE-SITE; TERTIARY INTERACTION; ANGSTROM RESOLUTION; ESCHERICHIA-COLI; MAGNESIUM-IONS; PRECURSOR TRNA(ASP) AB The x-ray crystal structure of a 417-nt ribonuclease P RNA from Bacilius stearothermophilus was solved to 3.3-angstrom resolution. This RNA enzyme is constructed from a number of coaxially stacked helical domains joined together by local and long-range interactions. These helical domains are arranged to forma remarkably flat surface, which is implicated by a wealth of biochemical data in the binding and cleavage of the precursors of transfer RNA substrate. Previous photoaffinity crosslinking data are used to position the substrate on the crystal structure and to identify the chemically active site of the ribozyme. This site is located in a highly conserved core structure formed by intricately interlaced long-range interactions between interhelical sequences. C1 Univ Colorado, Dept Mol Cellular & Dev Biol, Boulder, CO 80309 USA. Stanford Univ, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Crystallog Initiat, Berkeley, CA 94720 USA. RP Pace, NR (reprint author), Univ Colorado, Dept Mol Cellular & Dev Biol, Boulder, CO 80309 USA. EM nrpace@colorado.edu RI Adams, Paul/A-1977-2013 OI Adams, Paul/0000-0001-9333-8219 FU NIGMS NIH HHS [GM 34527, R01 GM034527, R37 GM034527] NR 53 TC 146 Z9 153 U1 0 U2 2 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 SEP 20 PY 2005 VL 102 IS 38 BP 13392 EP 13397 DI 10.1073/pnas.0506662102 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 967TW UT WOS:000232115100009 PM 16157868 ER PT J AU Jang, SY Marquez, M Sotzing, GA AF Jang, SY Marquez, M Sotzing, GA TI Writing of conducting polymers using nanoelectrochemistry SO SYNTHETIC METALS LA English DT Article; Proceedings Paper CT International Conference on Science and Technology of Synthetic Metals CY JUN 28-JUL 02, 2004 CL Wollongong, AUSTRALIA DE conducting polymers; polythiophene; atomic force microscopy; electrochemical polymerization; coupling reaction ID ATOMIC-FORCE MICROSCOPY; SCANNING ELECTROCHEMICAL MICROSCOPE; SELF-ASSEMBLED MONOLAYERS; DIP-PEN NANOLITHOGRAPHY; OXIDATIVE CROSS-LINKING; LIGHT-EMITTING-DIODES; SOFT LITHOGRAPHY; TAPPING MODE; FABRICATION; DEPOSITION AB Nano-writing of intrinsically conducting polymer was achieved via a novel electrochemical nanolithographic technique using tapping mode electrochemical atomic force microscopy. Conducting polymer nanolines as small as 58 nm width were obtained and the line width is controlled as a function of the writing speed and writing potential. Higher writing potential and slower writing speed produce wider conducting polymer nanolines due to enhanced propagation. No specific restriction in the choice of substrates and the ease of controlling feature size is expected to facilitate to fabrication of all plastic nano-electronic devices. C1 Univ Connecticut, Inst Mat Sci, Polymer Program, Storrs, CT 06269 USA. Los Alamos Natl Lab, Chem Sci & Technol Div, Los Alamos, NM 87545 USA. Kraft Foods R&D, Nanotechnol Lab, Glenview, IL 60025 USA. RP Sotzing, GA (reprint author), Univ Connecticut, Inst Mat Sci, Polymer Program, 97 N Eagleville Ed, Storrs, CT 06269 USA. EM sotzing@mail.ims.uconn.edu NR 48 TC 8 Z9 8 U1 0 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0379-6779 J9 SYNTHETIC MET JI Synth. Met. PD SEP 20 PY 2005 VL 152 IS 1-3 SI SI BP 345 EP 348 DI 10.1016/j.synthmet.2005.07.282 PN 1 PG 4 WC Materials Science, Multidisciplinary; Physics, Condensed Matter; Polymer Science SC Materials Science; Physics; Polymer Science GA 971OP UT WOS:000232394100088 ER PT J AU AbuShama, JAM Johnston, SW Crandall, RS Noufi, R AF AbuShama, JAM Johnston, SW Crandall, RS Noufi, R TI Meyer-Neldel rule and the influence of entropy on capture cross-section determination in Cu(In,Ga)Se-2 SO APPLIED PHYSICS LETTERS LA English DT Article ID FILM SOLAR-CELLS; IMPROVED PERFORMANCE; SPECTROSCOPY; DEVICES; STATES; TRAPS AB We use deep-level transient spectroscopy (DLTS) to investigate the electronic properties of ZnO/CdS/CuxIn1-yGaySe2/Mo/soda-lime glass thin-film solar cells. We deposited films with different x and y values using elemental evaporation. Devices made from these films exhibit more than 40 hole and electron traps, with activation energies ranging from 0.07 to 1.17 eV. Standard DLTS analysis (which assumes that entropy changes can be neglected) gives apparent capture cross sections that vary by 18 orders of magnitude over this energy range. All our data show that the charge-carrier emission rate obeys the Meyer-Neldel rule (MNR) with an isokinetic temperature of 340 +/- 30 K. By including the MNR relation in detailed balance, we show that there is a single cross section for all the traps. (c) 2005 American Institute of Physics. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. RP AbuShama, JAM (reprint author), Natl Renewable Energy Lab, MS 3211,1617 Cole Blvd, Golden, CO 80401 USA. EM jshama@mines.edu NR 23 TC 10 Z9 10 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD SEP 19 PY 2005 VL 87 IS 12 AR 123502 DI 10.1063/1.2051796 PG 3 WC Physics, Applied SC Physics GA 964UT UT WOS:000231907200061 ER PT J AU Biener, J Hodge, AM Hamza, AV AF Biener, J Hodge, AM Hamza, AV TI Microscopic failure behavior of nanoporous gold SO APPLIED PHYSICS LETTERS LA English DT Article ID MECHANICAL-PROPERTIES; PLASTIC-DEFORMATION; SIZE DEPENDENCE; FUSE NETWORK; AU CONTACTS; SCALE; BREAKDOWN; CRYSTALS; SURFACES; ALLOYS AB We report on the fracture behavior of nanoporous (np)-Au with an open sponge-like morphology of interconnecting ligaments on the nanometer length scale. Despite its macroscopic brittleness, np-Au is microscopically a very ductile material as ligaments strained by as much as 200% can be observed in the vicinity of crack tips. Cell-size effects on the microscopic failure mechanism were studied by annealing treatments that increased the typical pore size/ligament diameter from similar to 100 nm to similar to 1 mu m. Ligaments with diameter of similar to 100 nm fail by plastic flow and necking, whereas failure by slip was observed for larger ligaments with a diameter of similar to 1 mu m. The absence of slip marks in 100-nm-sized ligaments suggests a strongly suppressed dislocation activity, consistent with the high yield strength of np-Au. C1 Lawrence Livermore Natl Lab, Nanoscale Synth & Characterizat Lab, Livermore, CA 94550 USA. RP Biener, J (reprint author), Lawrence Livermore Natl Lab, Nanoscale Synth & Characterizat Lab, Livermore, CA 94550 USA. EM biener2@llnl.gov NR 23 TC 73 Z9 74 U1 0 U2 41 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 SEP 19 PY 2005 VL 87 IS 12 AR 121908 DI 10.1063/1.2051791 PG 3 WC Physics, Applied SC Physics GA 964UT UT WOS:000231907200024 ER PT J AU Buonassisi, T Istratov, AA Peters, S Ballif, C Isenberg, J Riepe, S Warta, W Schindler, R Willeke, G Cai, Z Lai, B Weber, ER AF Buonassisi, T Istratov, AA Peters, S Ballif, C Isenberg, J Riepe, S Warta, W Schindler, R Willeke, G Cai, Z Lai, B Weber, ER TI Impact of metal silicide precipitate dissolution during rapid thermal processing of multicrystalline silicon solar cells SO APPLIED PHYSICS LETTERS LA English DT Article ID CRYSTALLINE SILICON; EFFICIENCY AB Synchrotron-based analytical x-ray microprobe techniques were employed to study the dissolution of iron, copper, and nickel silicide precipitates at structural defects in cast multicrystalline silicon in response to rapid thermal processing (RTP). A direct correlation was observed between iron silicide precipitate dissolution, increased minority carrier recombination, and decreased device performance after high-temperature (1000 degrees C) RTP. In contrast, iron precipitates comparable in size to as-grown material remained after lower-temperature RTP (860 degrees C); in this case the material exhibited higher minority carrier diffusion length and better solar cell performance. RTP at both temperatures effectively dissolved nickel and copper silicide precipitates. It is concluded that iron dissolved from structural defect reservoirs detrimentally affects the cell performance, likely by forming distributed point defects and smaller precipitates. For cast multicrystalline silicon, higher performance can be expected by inhibiting the dissolution of these precipitates, i.e., by reducing the time and/or temperature of processing steps. (c) 2005 American Institute of Physics. C1 Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. Fraunhofer Inst Solar Energy Syst, D-7800 Freiburg, Germany. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Buonassisi, T (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM buonassisi@alumni.nd.edu RI Ballif, Christophe/G-4621-2012; Buonassisi, Tonio/J-2723-2012 NR 16 TC 47 Z9 48 U1 0 U2 19 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD SEP 19 PY 2005 VL 87 IS 12 AR 121918 DI 10.1063/1.2048819 PG 3 WC Physics, Applied SC Physics GA 964UT UT WOS:000231907200034 ER PT J AU Follstaedt, DM Lee, SR Provencio, PP Allerman, AA Floro, JA Crawford, MH AF Follstaedt, DM Lee, SR Provencio, PP Allerman, AA Floro, JA Crawford, MH TI Relaxation of compressively-strained AlGaN by inclined threading dislocations SO APPLIED PHYSICS LETTERS LA English DT Article AB Transmission electron microscopy and x-ray diffraction were used to assess the microstructure and strain of AlxGa1-xN(x=0.61-0.64) layers grown on AlN. The compressively-strained AlGaN is partially relaxed by inclined threading dislocations, similar to observations on Si-doped AlGaN by P. Cantu, F. Wu, P. Waltereit, S. Keller, A. E. Romanov, U. K. Mishra, S. P. DenBaars, and J. S. Speck [Appl. Phys. Lett. 83, 674 (2003)]; however, in our material, the dislocations bend before the introduction of any Si. The bending may be initiated by the greater lattice mismatch or the lower dislocation density of our material, but the presence of Si is not necessarily required. The relaxation by inclined dislocations is quantitatively accounted for with the model of A. E. Romanov and J. S. Speck [Appl. Phys. Lett. 83, 2569 (2003)], and we demonstrate the predicted linear dependence of relaxation on layer thickness. Notably, such relaxation was not found in tensile strained AlGaN grown on GaN [J. A. Floro, D. M. Follstaedt, P. Provencio, S. J. Hearne, and S. R. Lee, J. Appl. Phys. 96, 7087 (2004)], even though the same mechanism appears applicable. (c) 2005 American Institute of Physics. C1 Sandia Natl Labs, Phys Chem & Nano Sci Ctr, Albuquerque, NM 87185 USA. RP Follstaedt, DM (reprint author), Sandia Natl Labs, Phys Chem & Nano Sci Ctr, POB 5800, Albuquerque, NM 87185 USA. EM dmfolls@sandia.gov NR 9 TC 49 Z9 50 U1 3 U2 31 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 SEP 19 PY 2005 VL 87 IS 12 AR 121112 DI 10.1063/1.2056582 PG 3 WC Physics, Applied SC Physics GA 964UT UT WOS:000231907200012 ER PT J AU Garcia-Sanchez, F Chubykalo-Fesenko, O Mryasov, O Chantrell, RW Guslienko, KY AF Garcia-Sanchez, F Chubykalo-Fesenko, O Mryasov, O Chantrell, RW Guslienko, KY TI Exchange spring structures and coercivity reduction in FePt/FeRh bilayers: A comparison of multiscale and micromagnetic calculations SO APPLIED PHYSICS LETTERS LA English DT Article ID RECORDING MEDIA AB Calculations of magnetization reversal mechanism and coercivity reduction in exchange coupled FePt/FeRh bilayers are presented. It is shown by comparison with atomistic model calculations that the use of a standard micromagnetic model leads to an underestimation of the exchange energy at the interface, leading to a reduced coercivity decrease for small interfacial exchange energy constant. This is due to the failure of the domain wall (DW) to penetrate the hard FePt phase in the micromagnetic calculations. A multiscale model is proposed based an atomic level simulation in the interface region coupled with a micromagnetic approach elsewhere. This leads to improved calculations of DW structures at the interface, allowing a detailed study of the magnetization reversal mechanism. The new approach predicts a saturation in the coercivity reduction as a function of interface exchange energy at 4% of the bulk value, which is associated with complete continuity of the DW across the interface. (c) 2005 American Institute of Physics. C1 CSIC, Inst Ciencia Mat, E-28049 Madrid, Spain. Seagate Res, Pittsburgh, PA 15222 USA. Argonne Natl Lab, Argonne, IL 60439 USA. RP Garcia-Sanchez, F (reprint author), CSIC, Inst Ciencia Mat, E-28049 Madrid, Spain. EM fgarcias@icmm.csic.es RI Garcia-Sanchez, Felipe/F-8592-2012; Chantrell, Roy/J-9898-2015 OI Garcia-Sanchez, Felipe/0000-0002-3655-4836; Chantrell, Roy/0000-0001-5410-5615 NR 13 TC 33 Z9 36 U1 3 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 SEP 19 PY 2005 VL 87 IS 12 AR 122501 DI 10.1063/1.2051789 PG 3 WC Physics, Applied SC Physics GA 964UT UT WOS:000231907200040 ER PT J AU Prabhumirashi, P Dravid, VP Lupini, AR Chisholm, MF Pennycook, SJ AF Prabhumirashi, P Dravid, VP Lupini, AR Chisholm, MF Pennycook, SJ TI Atomic-scale manipulation of potential barriers at SrTiO3 grain boundaries SO APPLIED PHYSICS LETTERS LA English DT Article ID SPACE-CHARGE DISTRIBUTION; ELECTRON HOLOGRAPHY; INTERNAL INTERFACES; TITANATE; OXIDES AB In oxide grain boundaries (GBs), oxygen ions and their vacancies serve as a common denominator in controlling properties such as GB barrier height and capacitance. Therefore, it is critical to analyze, control and manipulate oxygen and vacancies at oxide interfaces as most of the practical devices are almost always influenced by the presence of electrostatic potential barriers at interfaces. Here, we report adjustment of a single GB potential barrier via manipulation of oxygen vacancy concentration using simple oxidation and reduction treatments. We validate our analysis with aberration-corrected HAADF imaging and column-by-column EELS coupled with macroscopic transport measurements of isolated GBs to gain important insight into the physical attributes of GB potential barriers. (c) 2005 American Institute of Physics. C1 Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. RP Dravid, VP (reprint author), Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. EM v-dravid@northwestern.edu RI Dravid, Vinayak/B-6688-2009 NR 22 TC 12 Z9 12 U1 1 U2 19 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD SEP 19 PY 2005 VL 87 IS 12 AR 121917 DI 10.1063/1.2046734 PG 3 WC Physics, Applied SC Physics GA 964UT UT WOS:000231907200033 ER PT J AU Siegel, DJ AF Siegel, DJ TI Generalized stacking fault energies, ductilities, and twinnabilities of Ni and selected Ni alloys SO APPLIED PHYSICS LETTERS LA English DT Article ID AUGMENTED-WAVE METHOD; NANOCRYSTALLINE METALS; FCC METALS; CRACK-TIP; DEFORMATION; NICKEL; ELECTRODEPOSITION; CRITERION AB The generalized stacking fault energies, Rice-criterion ductilities, and twinnabilities of selected Ni-x solid-solution alloys (x=Nb, W, Mn, Fe, Cu) are calculated using density functional theory to elucidate how alloying alters the mechanical properties of pure Ni. Relative to Ni, the alloys have smaller stacking fault energies (gamma(sf)), similar ductilities, and a greater tendency to undergo deformation twinning. The results are compared to experimental studies of the mechanical properties of nanocrystalline (nc) Ni alloys from the literature, and it is suggested that the higher strain-hardening rate recently reported for nc-Ni-Cu (relative to nc-Ni-Fe) does not arise from differences in gamma(sf), but from a higher dislocation density caused by more facile dislocation nucleation. (c) 2005 American Institute of Physics. C1 USN, Res Lab, Washington, DC 20375 USA. Sandia Natl Labs, Livermore, CA 94551 USA. RP USN, Res Lab, Code 6390,4555 Overlook Ave, Washington, DC 20375 USA. EM dsiegel@dave.nrl.navy.mil RI Siegel, Donald/B-4048-2013 OI Siegel, Donald/0000-0001-7913-2513 NR 29 TC 63 Z9 66 U1 11 U2 46 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 SEP 19 PY 2005 VL 87 IS 12 AR 121901 DI 10.1063/1.2051793 PG 3 WC Physics, Applied SC Physics GA 964UT UT WOS:000231907200017 ER PT J AU Yan, YF Noufi, R Jones, KM Ramanathan, K Al-Jassim, MM Stanbery, BJ AF Yan, YF Noufi, R Jones, KM Ramanathan, K Al-Jassim, MM Stanbery, BJ TI Chemical fluctuation-induced nanodomains in Cu(In,Ga)Se-2 films SO APPLIED PHYSICS LETTERS LA English DT Article ID SOLAR-CELLS; THIN-FILMS; EFFICIENCY; DEVICE AB The microstructure and chemistry of CuInSe2 single-crystals and Cu(In,Ga)Se-2 thin films from high-efficiency devices are investigated by transmission electron microscopy and x-ray energy-dispersive spectroscopy. We find strong chemical fluctuations at the nanoscale, which result in a lattice comprising a mixture of relatively Cu-poor and Cu-rich nanodomains in both cases. These nanodomains are crystallographically coherent, and no structural lattice defects are found at the interfaces between them. These nanodomains may interconnect, forming three-dimensional, interpenetrating Cu-poor and Cu-rich percolation networks. Such interconnected structures may play a role in the high device performance of Cu(In,Ga)Se-2 thin-film photovoltaics. (c) 2005 American Institute of Physics. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. HelioVolt Corp, Austin, TX 78746 USA. RP Yan, YF (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. NR 18 TC 49 Z9 49 U1 0 U2 19 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD SEP 19 PY 2005 VL 87 IS 12 AR 121904 DI 10.1063/1.2053349 PG 3 WC Physics, Applied SC Physics GA 964UT UT WOS:000231907200020 ER PT J AU Ye, ZX Li, Q Hu, Y Si, WD Johnson, PD Zhu, Y AF Ye, ZX Li, Q Hu, Y Si, WD Johnson, PD Zhu, Y TI Enhanced flux pinning in YBa2Cu3O7-delta films by nanoscaled substrate surface roughness SO APPLIED PHYSICS LETTERS LA English DT Article ID CRITICAL-CURRENT DENSITY; MGB2/MG NANO-COMPOSITES; T-C SUPERCONDUCTORS; TWIN BOUNDARIES AB Nanoscaled substrate surface roughness is shown to strongly influence the critical current density (J(c)) in YBa2Cu3O7-delta (YBCO) films made by pulsed-laser deposition on the crystalline LaAlO3 substrates consisting of two separate twin-free and twin-rich regions. The nanoscaled corrugated substrate surface was created in the twin-rich region during the deposition process. Using magneto-optical imaging techniques coupled with optical and atomic force microscopy, we observed an enhanced flux pinning in the YBCO films in the twin-rich region, resulting in a similar to 30% increase in J(c), which was unambiguously confirmed by the direct transport measurement. (c) 2005 American Institute of Physics. C1 Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Ye, ZX (reprint author), Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. EM qiangli@bnl.gov NR 16 TC 9 Z9 9 U1 2 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 SEP 19 PY 2005 VL 87 IS 12 AR 122502 DI 10.1063/1.2051794 PG 3 WC Physics, Applied SC Physics GA 964UT UT WOS:000231907200041 ER PT J AU Li, B Corbett, JD AF Li, B Corbett, JD TI Participation of sodium in the bonding of anionic networks: Synthesis, structure, and bonding of Na3MIn2 (M = Au, Ag) SO INORGANIC CHEMISTRY LA English DT Article ID ZINTL PHASE; CLUSTERS; METALS; GOLD; REFINEMENT; COMPOUND; SALT AB Two isostructural compounds Na(3)Mln(2) (M = Au, Ag) with a NiTi2-type structure (Fd-3m) were synthesized via typical high-temperature reactions. The anionic M-In structure consists of tetrahedral star building units [ln(4)M(4/2)] (TS) that are connected into a three-dimensional framework via shared TS vertexes, with the Na atoms filling the cages. On the basis of TB-LMTO-ASA calculations, the electronic structures of both compounds show substantial participation of sodium in the overall bonding of the structure. Compared with the Ag compound, relativistic effects in the Au phase appear to be significant, as shown in the M-M and M-Na bond length decreases of 0.03-0.04 angstrom. C1 Iowa State Univ, Ames Lab, DOE, Ames, IA 50011 USA. 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 jcorbett@iastate.edu NR 25 TC 28 Z9 28 U1 0 U2 8 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 SEP 19 PY 2005 VL 44 IS 19 BP 6515 EP 6517 DI 10.1021/ic050979v PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 964EG UT WOS:000231860900008 PM 16156606 ER PT J AU Antoniou, NG Diakonos, FK Kapoyannis, AS AF Antoniou, NG Diakonos, FK Kapoyannis, AS TI The critical endpoint of bootstrap and lattice QCD matter SO NUCLEAR PHYSICS A LA English DT Article DE statistical bootstrap; lattice QCD; critical point ID EQUATION-OF-STATE; NUCLEUS-NUCLEUS COLLISIONS; QUARK PHASE-TRANSITION; FINITE-DENSITY; STATISTICAL THERMODYNAMICS; HIGH ENERGIES; HADRONIC MATTER; BARYON DENSITY; TEMPERATURE; EQUILIBRATION AB The critical sector of strong interactions at high temperatures is explored in the frame of two complementary approaches: statistical bootstrap for the hadronic phase and lattice QCD for the quark-gluon partition function. A region of thermodynamic instability of hadronic matter was found, as a direct prediction of statistical bootstrap. As a result, critical endpoint solutions for nonzero chemical potential were traced in the phase diagram of strongly interacting matter. These solutions are compared with recent lattice QCD results and their proximity to the freeze-out points of experiments with nuclei at high energies is also discussed. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Athens, Dept Phys, GR-15771 Athens, Greece. Brookhaven Natl Lab, Nucl Theory Grp, Upton, NY 11973 USA. RP Kapoyannis, AS (reprint author), Univ Athens, Dept Phys, GR-15771 Athens, Greece. EM akapog@cc.uoa.gr NR 51 TC 10 Z9 10 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 EI 1873-1554 J9 NUCL PHYS A JI Nucl. Phys. A PD SEP 19 PY 2005 VL 759 IS 3-4 BP 417 EP 438 DI 10.1016/j.nuclphysa.2005.05.156 PG 22 WC Physics, Nuclear SC Physics GA 960CZ UT WOS:000231569100006 ER PT J AU Yellampalle, B Averitt, RD Efimov, A Taylor, AJ AF Yellampalle, B Averitt, RD Efimov, A Taylor, AJ TI Spectral interferometric coherent Raman imaging SO OPTICS EXPRESS LA English DT Article ID SPECTROSCOPY; SCATTERING; MICROSCOPY AB We propose a low-background and sensitive coherent Raman imaging technique that uses selective excitation of Raman levels with chirped pulses from a single femtosecond laser. The proposed scheme uses spectral interferometric detection to obtain the real and imaginary parts of.(3) simultaneously. We combine three advantages desirable for microscopy namely, use of a single femtosecond laser, suppression of non-resonant background, and measurement of complex resonant Raman.(3). (c) 2005 Optical Society of America. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87544 USA. RP Yellampalle, B (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, POB 1663, Los Alamos, NM 87544 USA. EM kishore@lanl.gov NR 12 TC 10 Z9 10 U1 0 U2 0 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 SEP 19 PY 2005 VL 13 IS 19 BP 7672 EP 7682 DI 10.1364/OPEX.13.007672 PG 11 WC Optics SC Optics GA 966YH UT WOS:000232058200047 PM 19498795 ER PT J AU Jacobs, G Ricote, S Patterson, PM Graham, UM Dozier, A Khalid, S Rhodus, E Davis, BH AF Jacobs, G Ricote, S Patterson, PM Graham, UM Dozier, A Khalid, S Rhodus, E Davis, BH TI Low temperature water-gas shift: Examining the efficiency of Au as a promoter for ceria-based catalysts prepared by CVD of a Au precursor SO APPLIED CATALYSIS A-GENERAL LA English DT Article DE Au loading; Au/ceria catalyst; Pt/ceria catalyst ID IN-SITU DRIFTS; RAY PHOTOELECTRON-SPECTROSCOPY; FUEL PROCESSING CATALYSTS; PT/CERIA CATALYSTS; REACTION-MECHANISM; SURFACE FORMATES; CARBON-MONOXIDE; GOLD CATALYSTS; OXYGEN-STORAGE; OXIDATION AB Increasing the Au loading had a significant positive impact on the catalytic activity. The partial reduction of ceria is necessary for generating bridging OH groups on the surface of ceria, which serve as the active sites. The surface shell reduction process in H-2 was monitored by TPR, XANES, and in situ DRIFTS spectroscopy. Either the oxygen deficiencies are first formed, followed by dissociative adsorption of H2O to generate the Type II bridging OH groups or, they may be formed directly by spillover of dissociated H-2 from the metal to the ceria surface. For each pair of bridging OH groups formed, two cerium atoms in the surface shell change from the Ce4+ to Ce3+ oxidation state. Addition of Au facilitates the surface reduction process and thereby decreases the reduction temperature from 450 degrees C for the unpromoted catalyst to 100 degrees C for the 5% Au/ceria catalyst. A systematic decrease in the required temperature for ceria surface shell reduction was observed by increasing the Au promoter loading as follows: 0.1, 0.25, 0.5, 1, 2.5, 5%. Gold and platinum promoted catalysts were compared in a suitable reaction temperature range after first ensuring that metal-oxide interactions were overcome (ca. 5% metal loading). Approximately 20 times the amount of 5% Au/ceria catalyst was required to achieve a lightoff curve similar to that of a 5% Pt/ceria in the temperature range 200-300 degrees C, and 5% Pt/ceria also exhibited higher steady-state activity (about double that of An) at 175 degrees C. This result suggests that, in addition to the role the metal plays in facilitating the formation of the active site bridging OH groups, it also influences the intrinsic rate of the WGS reaction. Transient formate decomposition experiments carried out at 140 degrees C indicated that the rate of formate decomposition was approximately 20 times higher for 2.5% Pt/ceria than that of 2.5% Au/ceria, suggesting that the metal (in addition to the promoting effect of H2O previously reported) plays a role in facilitating the decomposition of surface formate intermediates, the proposed rate limiting step of the reaction mechanism. (c) 2005 Published by Elsevier B.V. C1 Univ Kentucky, Ctr Appl Energy Res, Lexington, KY 40511 USA. Univ Kentucky, Ctr Electron Microscopy, Dept Chem & Mat Engn, Lexington, KY 40506 USA. Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. Lafayette High Sch, EBCE Program, Lexington, KY 40503 USA. RP Davis, BH (reprint author), Univ Kentucky, Ctr Appl Energy Res, 2540 Res Pk Dr, Lexington, KY 40511 USA. EM davis@caer.uky.edu RI Jacobs, Gary/M-5349-2015 OI Jacobs, Gary/0000-0003-0691-6717 NR 60 TC 74 Z9 75 U1 0 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0926-860X J9 APPL CATAL A-GEN JI Appl. Catal. A-Gen. PD SEP 18 PY 2005 VL 292 BP 229 EP 243 DI 10.1016/j.apcata.2005.06.003 PG 15 WC Chemistry, Physical; Environmental Sciences SC Chemistry; Environmental Sciences & Ecology GA 996VC UT WOS:000234202200025 ER PT J AU Wu, CC Wu, ST Dryer, M Fry, CD Berdichevsky, D Smith, Z Detman, T Gopalswamy, N Skoug, R Zurbuchen, T Smith, C AF Wu, CC Wu, ST Dryer, M Fry, CD Berdichevsky, D Smith, Z Detman, T Gopalswamy, N Skoug, R Zurbuchen, T Smith, C TI Flare-generated shock evolution and geomagnetic storms during the ''Halloween 2003 epoch'': 29 October to 2 November SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID CORONAL MASS EJECTIONS; INTERPLANETARY SHOCKS; 1 AU; MHD; HELIOSPHERE; EARTH; TIME AB The October/November 2003 ("Halloween 2003'') epoch of intense solar flares provided an opportunity to test the results of earlier parametric 1.5 MHD studies of interacting interplanetary shock waves. These preliminary studies used an adaptive numerical grid that made it possible to identify products of these interactions. During 28 October to 2 November 2003, three shocks generated by four solar flares were observed at the L1 libration point by ACE/SWEPAM/SWICS/MAG. Two very distinct geomagnetic storms, associated with two of these flares (X17/4B and X10/2B), rank as two of the largest storms of solar cycle 23. The purpose of this paper is to present the use of an adaptive grid 1.5-dimensional MHD model that is initiated at the solar surface to study in detail the three shocks observed at L1 that were generated by the four solar flares. Accordingly, four separate pressure pulses, at the appropriate times and with different strengths and duration, determined via a trial and error procedure, are introduced on the Sun to mimic the four flares. The results show that the simulated solar wind velocity temporal profiles successfully matched the observations at L1. The major objective, to demonstrate the detailed nature of interacting shocks and some of their products after origination from closely spaced solar events, is achieved. In addition, the MHD model is able to suggest the solar sources that are associated with specific geomagnetic storms at Earth. C1 Univ Alabama, Ctr Space Plasma & Aeron Res, Huntsville, AL 35899 USA. NOAA, Space Environm Ctr, Boulder, CO USA. Explorat Phys Int Inc, Huntsville, AL 35806 USA. L3 Commun EER Syst Inc, Largo, MD 20774 USA. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA. Univ New Hampshire, Inst Earth Oceans & Space, Durham, NH 03824 USA. RP Wu, CC (reprint author), Univ Alabama, Ctr Space Plasma & Aeron Res, Huntsville, AL 35899 USA. EM wuc@cspar.uah.edu; wus@cspar.uah.edu; murray.dryer@noaa.gov; gfry@expi.com; xrdbb@lepvax.gsfc.nasa.gov; zdenka.smith@noaa.gov; thomas.detman@noaa.gov; gopals@fugee.nasa.gov; rskoug@lanl.gov; thomasz@umich.edu; chuck@briaxa.sr.unh.edu RI xue, yansheng/A-9712-2012; Gopalswamy, Nat/D-3659-2012 NR 25 TC 14 Z9 14 U1 0 U2 3 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 SEP 17 PY 2005 VL 110 IS A9 AR A09S17 DI 10.1029/2005JA011011 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 967SW UT WOS:000232112500007 ER PT J AU Jang, SY Seshadri, V Khil, MS Kumar, A Marquez, M Mather, PT Sotzing, GA AF Jang, SY Seshadri, V Khil, MS Kumar, A Marquez, M Mather, PT Sotzing, GA TI Welded electrochromic conductive polymer nanofibers by electrostatic spinning SO ADVANCED MATERIALS LA English DT Article ID OXIDATIVE CROSS-LINKING; POLYANILINE NANOFIBERS; DEVICES C1 Univ Connecticut, Inst Mat Sci, Polymer Program, Storrs, CT 06269 USA. Los Alamos Natl Lab, Chem Sci & Technol Div, Los Alamos, NM 87545 USA. Case Western Reserve Univ, Dept Macromol Sci & Engn, Cleveland, OH 44106 USA. RP Sotzing, GA (reprint author), Univ Connecticut, Inst Mat Sci, Polymer Program, 97 N Eagleville Rd, Storrs, CT 06269 USA. EM sotzing@mail.ims.uconn.edu NR 19 TC 89 Z9 89 U1 5 U2 43 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 SEP 16 PY 2005 VL 17 IS 18 BP 2177 EP 2180 DI 10.1002/adma.200500577 PG 4 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 967VP UT WOS:000232119600004 ER PT J AU Mao, YB Wong, SS AF Mao, YB Wong, SS TI Composition and shape control of crystalline Ca1-xSrxTiO3 perovskite nanoparticles SO ADVANCED MATERIALS LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; MOLTEN-SALT SYNTHESIS; X-RAY-DIFFRACTION; BARIUM-TITANATE; THIN-FILMS; BATIO3; PHASE; NANOCRYSTALS; FEATURES; SRTIO3 C1 SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Dept Chem & Mat Sci, Upton, NY 11973 USA. RP Wong, SS (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM sswong@notes.cc.sunysb.edu RI Mao, Yuanbing/D-5580-2009 NR 39 TC 38 Z9 39 U1 2 U2 36 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 SEP 16 PY 2005 VL 17 IS 18 BP 2194 EP 2199 DI 10.1002/adma.200500437 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 967VP UT WOS:000232119600009 ER PT J AU Xu, AH Sluszny, C Yeung, ES AF Xu, AH Sluszny, C Yeung, ES TI Prototype for integrated two-dimensional gel electrophoresis for protein separation SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article; Proceedings Paper CT 25th International Symposium on Chromatography CY OCT 04-08, 2004 CL Paris, FRANCE DE proteins; gel electrophoresis; miniaturization ID IMMOBILIZED PH GRADIENTS; CAPILLARY-ZONE-ELECTROPHORESIS; NATIVE FLUORESCENCE DETECTION; LIQUID-CHROMATOGRAPHY; MASS-SPECTROMETRY; QUANTITATIVE-DETERMINATION; PROTEOMICS; SYSTEM; IDENTIFICATION; RESOLUTION AB Two-dimensional gel electrophoresis practitioners have long waited for a fully automated system. This article presents an integrated platform that is capable of complete automation from sample introduction to spots detection. The strip gel for the first dimensional separation is fixed on the edge of a discrete planar stage before separation. A pair of platinum pin electrodes for isoclectric focusing (IEF) makes contact from underneath the stage. IEF is performed directly after rehydration and protein loading. After the first dimensional separation, sodium dodecyl sulfate (SDS) equilibration is done on the same stage without moving the gel. The IEF stage is then moved horizontally to couple with a precast second dimensional gel. The < 0.5 mm gap between the two gels is filled with poly (ethylene oxide) solution. After SDS-polyacrylamide gel electrohporesis separation, a charge-coupled device camera is used to detect spots via protein native fluorescence excited by a Hg (Xe) lamp with the gel inside the running cell. Potential for full automation is demonstrated with 0.5 mu g of Escherichia coli proteins on this miniaturized platform. More than 240 spots are detected in a total experiment time of < 2.5 h. (c) 2005 Elsevier B.V. All rights reserved. C1 Iowa State Univ, Ames Lab, US Dept Energy, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Yeung, ES (reprint author), Iowa State Univ, Ames Lab, US Dept Energy, Ames, IA 50011 USA. EM yeung@ameslab.gov NR 42 TC 8 Z9 8 U1 3 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0021-9673 J9 J CHROMATOGR A JI J. Chromatogr. A PD SEP 16 PY 2005 VL 1087 IS 1-2 BP 177 EP 182 DI 10.1016/j.chroma.2005.02.046 PG 6 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 954WI UT WOS:000231185600022 PM 16130711 ER PT J AU Stieglitz, KA Dusinberre, KJ Cardia, JP Tsuruta, H Kantrowitz, ER AF Stieglitz, KA Dusinberre, KJ Cardia, JP Tsuruta, H Kantrowitz, ER TI Structure of the E-coli aspartate transcarbamoylase trapped in the middle of the catalytic cycle SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE allosteric enzyme; small-angle X-ray scattering; cooperativity; enzyme mechanism ID PHOSPHONACETYL-L-ASPARTATE; CRYSTAL-STRUCTURES; ALLOSTERIC TRANSITION; CARBAMOYL-PHOSPHATE; 2.8-A RESOLUTION; NEUTRAL PH; R-STATE; T-STATE; CARBAMOYLTRANSFERASE; BINDING AB Snapshots of the catalytic cycle of the allosteric enzyme aspartate transcarbamoylase have been obtained via X-ray crystallography. The enzyme in the high-activity high-affinity R state contains two catalytic chains in the asymmetric unit that are different. The active site in one chain is empty, while the active site in the other chain contains an analog of the first substrate to bind in the ordered mechanism of the reaction. Small angle X-ray scattering shows that once the enzyme is converted to the R state, by substrate binding, the enzyme remains in the R state until substrates are exhausted. Thus, this structure represents the active form of the enzyme trapped at two different stages in the catalytic cycle, before the substrates bind (or after the products are released), and after the first substrate binds. Opening and closing of the catalytic chain domains explains how the catalytic cycle occurs while the enzyme remains globally in the R-quaternary structure. (c) 2005 Published by Elsevier Ltd. C1 Boston Coll, Dept Chem, Merkert Chem Ctr, Chestnut Hill, MA 02467 USA. Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Kantrowitz, ER (reprint author), Boston Coll, Dept Chem, Merkert Chem Ctr, Chestnut Hill, MA 02467 USA. EM evan.kantrowitz@bc.edu FU NCRR NIH HHS [P41RR01209]; NIGMS NIH HHS [GM26237] NR 34 TC 8 Z9 8 U1 0 U2 0 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 SEP 16 PY 2005 VL 352 IS 2 BP 478 EP 486 DI 10.1016/j.jmb.2005.07.046 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 965AI UT WOS:000231921700020 PM 16120448 ER PT J AU Williams, RS Tainer, JA AF Williams, RS Tainer, JA TI A nanomachine for making ends meet: MRN is a flexing scaffold for the repair of DNA double-strand breaks SO MOLECULAR CELL LA English DT Editorial Material ID MRE11 COMPLEX; HOOK AB In a recent study (Moreno-Herrero et al., 2005), atomic force microscopy (AFM) imaging of the human Mre11/ Rad50/Nbs1 (MRN) complex engaging substrate DNA revealed large-scale, DNA binding-induced propagation of conformational change to the distal ends of the Rad50 coiled coils and erection of a 1000 A scaffold to productively bridge DNA ends. C1 Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA. Scripps Res Inst, Skaggs Inst Chem Biol, La Jolla, CA 92037 USA. Lawrence Berkeley Natl Lab, Div Life Sci, Dept Mol Biol, Berkeley, CA 94720 USA. RP Williams, RS (reprint author), Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA. RI Williams, Robert/A-6059-2015 NR 10 TC 24 Z9 26 U1 0 U2 1 PU CELL PRESS PI CAMBRIDGE PA 1100 MASSACHUSETTS AVE, CAMBRIDGE, MA 02138 USA SN 1097-2765 J9 MOL CELL JI Mol. Cell PD SEP 16 PY 2005 VL 19 IS 6 BP 724 EP 726 DI 10.1016/j.molcel.2005.07.006 PG 3 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 966BM UT WOS:000231994600004 PM 16168369 ER PT J AU Adams, J Aggarwal, MM Ahammed, Z Amonett, J Anderson, BD Arkhipkin, D Averichev, GS Badyal, SK Bai, Y Balewski, J Barannikova, O Barnby, LS Baudot, J Bekele, S Belaga, VV Bellingeri-Laurikainen, A Bellwied, R Berger, J Bezverkhny, BI Bharadwaj, S Bhasin, A Bhati, AK Bhatia, VS Bichsel, H Bielcik, J Bielcikova, J Billmeier, A Bland, LC Blyth, CO Blyth, SL Bonner, BE Botje, M Boucham, A Bouchet, J Brandin, AV Bravar, A Bystersky, M Cadman, RV Cai, XZ Caines, H Calderon de la Barca Sanchez, M Castillo, J Catu, O Cebra, D Chajecki, Z Chaloupka, P Chattopadhyay, S Chen, HF Chen, JH Chen, Y Cheng, J Cherney, M Chikanian, A Christie, W Coffin, JP Cormier, TM Cosentino, MR Cramer, JG Crawford, HJ Das, D Das, S Daugherity, M de Moura, MM Dedovich, TG DePhillips, M Derevschikov, AA Didenko, L Dietel, T Dogra, SM Dong, WJ Dong, X Draper, JE Du, F Dubey, AK Dunin, VB Dunlop, JC Dutta Mazumdar, MR Eckardt, V Edwards, WR Efimov, LG Emelianov, V Engelage, J Eppley, G Erazmus, B Estienne, M Fachini, P Faivre, J Fatemi, R Fedorisin, J Filimonov, K Filip, P Finch, E Fine, V Fisyak, Y Fornazier, KSF Fu, J Gagliardi, CA Gaillard, L Gans, J Ganti, MS Geurts, F Ghazikhanian, V Ghosh, P Gonzalez, JE Gos, H Grachov, O Grebenyuk, O Grosnick, D Guertin, SM Guo, Y Gupta, A Gupta, N Gutierrez, TD Hallman, TJ Hamed, A Hardtke, D Harris, JW Heinz, M Henry, TW Hepplemann, S Hippolyte, B Hirsch, A Hjort, E Hoffmann, GW Horner, MJ Huang, HZ Huang, SL Hughes, EW Humanic, TJ Igo, G Ishihara, A Jacobs, P Jacobs, WW Jedynak, M Jiang, H Jones, PG Judd, EG Kabana, S Kang, K Kaplan, M Keane, D Kechechyan, A Khodyrev, VY Kiryluk, J Kisiel, A Kislov, EM Klay, J Klein, SR Koetke, DD Kollegger, T Kopytine, M Kotchenda, L Kowalik, KL Kramer, M Kravtsov, P Kravtsov, VI Krueger, K Kuhn, C Kulikov, AI Kumar, A Kutuev, RK Kuznetsov, AA Lamont, MAC Landgraf, JM Lange, S Laue, F Lauret, J Lebedev, A Lednicky, R Lehocka, S LeVine, MJ Li, C Li, Q Li, Y Lin, G Lindenbaum, SJ Lisa, MA Liu, F Liu, H Liu, J Liu, L Liu, QJ Liu, Z Ljubicic, T Llope, WJ Long, H Longacre, RS Lopez-Noriega, M Love, WA Lu, Y Ludlam, T Lynn, D Ma, GL Ma, JG Ma, YG Magestro, D Mahajan, S Mahapatra, DP Majka, R Mangotra, LK Manweiler, R Margetis, S Markert, C Martin, L Marx, JN Matis, HS Matulenko, YA McClain, CJ McShane, TS Meissner, F Melnick, Y Meschanin, A Miller, ML Minaev, NG Mironov, C Mischke, A Mishra, DK Mitchell, J Mohanty, B Molnar, L Moore, CF Morozov, DA Munhoz, MG Nandi, BK Nayak, SK Nayak, TK Nelson, JM Netrakanti, PK Nikitin, VA Nogach, LV Nurushev, SB Odyniec, G Ogawa, A Okorokov, V Oldenburg, M Olson, D Pal, SK Panebratsev, Y Panitkin, SY Pavlinov, AI Pawlak, T Peitzmann, T Perevoztchikov, V Perkins, C Peryt, W Petrov, VA Phatak, SC Picha, R Planinic, M Pluta, J Porile, N Porter, J Poskanzer, AM Potekhin, M Potrebenikova, E Potukuchi, BVKS Prindle, D Pruneau, C Putschke, J Rakness, G Raniwala, R Raniwala, S Ravel, O Ray, RL Razin, SV Reichhold, D Reid, JG Reinnarth, J Renault, G Retiere, F Ridiger, A Ritter, HG Roberts, JB Rogachevskiy, OV Romero, JL Rose, A Roy, C Ruan, L Russcher, M Sahoo, R Sakrejda, I Salur, S Sandweiss, J Sarsour, M Savin, I Sazhin, PS Schambach, J Scharenberg, RP Schmitz, N Schweda, K Seger, J Seyboth, P Shahaliev, E Shao, M Shao, W Sharma, M Shen, WQ Shestermanov, KE Shimanskiy, SS Sichtermann, E Simon, F Singaraju, RN Smirnov, N Snellings, R Sood, G Sorensen, P Sowinski, J Speltz, J Spinka, HM Srivastava, B Stadnik, A Stanislaus, TDS Stock, R Stolpovsky, A Strikhanov, M Stringfellow, B Suaide, AAP Sugarbaker, E Suire, C Sumbera, M Surrow, B Swanger, M Symons, TJM Szanto de Toledo, A Tai, A Takahashi, J Tang, AH Tarnowsky, T Thein, D Thomas, JH Timmins, AR Timoshenko, S Tokarev, M Trentalange, S Tribble, RE Tsai, OD Ulery, J Ullrich, T Underwood, DG Van Buren, G van der Kolk, N van Leeuwen, M Vander Molen, AM Varma, R Vasilevski, IM Vasiliev, AN Vernet, R Vigdor, SE Viyogi, YP Vokal, S Voloshin, SA Waggoner, WT Wang, F Wang, G Wang, G Wang, XL Wang, Y Wang, Y Wang, ZM Ward, H Watson, JW Webb, JC Westfall, GD Wetzler, A Whitten, C Wieman, H Wissink, SW Witt, R Wood, J Wu, J Xu, N Xu, Z Xu, ZZ Yamamoto, E Yepes, P Yurevich, VI Zborovsky, I Zhang, H Zhang, WM Zhang, Y Zhang, ZP Zhong, C Zoulkarneev, R Zoulkarneeva, Y Zubarev, AN Zuo, JX AF Adams, J Aggarwal, MM Ahammed, Z Amonett, J Anderson, BD Arkhipkin, D Averichev, GS Badyal, SK Bai, Y Balewski, J Barannikova, O Barnby, LS Baudot, J Bekele, S Belaga, VV Bellingeri-Laurikainen, A Bellwied, R Berger, J Bezverkhny, BI Bharadwaj, S Bhasin, A Bhati, AK Bhatia, VS Bichsel, H Bielcik, J Bielcikova, J Billmeier, A Bland, LC Blyth, CO Blyth, SL Bonner, BE Botje, M Boucham, A Bouchet, J Brandin, AV Bravar, A Bystersky, M Cadman, RV Cai, XZ Caines, H Calderon de la Barca Sanchez, M Castillo, J Catu, O Cebra, D Chajecki, Z Chaloupka, P Chattopadhyay, S Chen, HF Chen, JH Chen, Y Cheng, J Cherney, M Chikanian, A Christie, W Coffin, JP Cormier, TM Cosentino, MR Cramer, JG Crawford, HJ Das, D Das, S Daugherity, M de Moura, MM Dedovich, TG DePhillips, M Derevschikov, AA Didenko, L Dietel, T Dogra, SM Dong, WJ Dong, X Draper, JE Du, F Dubey, AK Dunin, VB Dunlop, JC Dutta Mazumdar, MR Eckardt, V Edwards, WR Efimov, LG Emelianov, V Engelage, J Eppley, G Erazmus, B Estienne, M Fachini, P Faivre, J Fatemi, R Fedorisin, J Filimonov, K Filip, P Finch, E Fine, V Fisyak, Y Fornazier, KSF Fu, J Gagliardi, CA Gaillard, L Gans, J Ganti, MS Geurts, F Ghazikhanian, V Ghosh, P Gonzalez, JE Gos, H Grachov, O Grebenyuk, O Grosnick, D Guertin, SM Guo, Y Gupta, A Gupta, N Gutierrez, TD Hallman, TJ Hamed, A Hardtke, D Harris, JW Heinz, M Henry, TW Hepplemann, S Hippolyte, B Hirsch, A Hjort, E Hoffmann, GW Horner, MJ Huang, HZ Huang, SL Hughes, EW Humanic, TJ Igo, G Ishihara, A Jacobs, P Jacobs, WW Jedynak, M Jiang, H Jones, PG Judd, EG Kabana, S Kang, K Kaplan, M Keane, D Kechechyan, A Khodyrev, VY Kiryluk, J Kisiel, A Kislov, EM Klay, J Klein, SR Koetke, DD Kollegger, T Kopytine, M Kotchenda, L Kowalik, KL Kramer, M Kravtsov, P Kravtsov, VI Krueger, K Kuhn, C Kulikov, AI Kumar, A Kutuev, RK Kuznetsov, AA Lamont, MAC Landgraf, JM Lange, S Laue, F Lauret, J Lebedev, A Lednicky, R Lehocka, S LeVine, MJ Li, C Li, Q Li, Y Lin, G Lindenbaum, SJ Lisa, MA Liu, F Liu, H Liu, J Liu, L Liu, QJ Liu, Z Ljubicic, T Llope, WJ Long, H Longacre, RS Lopez-Noriega, M Love, WA Lu, Y Ludlam, T Lynn, D Ma, GL Ma, JG Ma, YG Magestro, D Mahajan, S Mahapatra, DP Majka, R Mangotra, LK Manweiler, R Margetis, S Markert, C Martin, L Marx, JN Matis, HS Matulenko, YA McClain, CJ McShane, TS Meissner, F Melnick, Y Meschanin, A Miller, ML Minaev, NG Mironov, C Mischke, A Mishra, DK Mitchell, J Mohanty, B Molnar, L Moore, CF Morozov, DA Munhoz, MG Nandi, BK Nayak, SK Nayak, TK Nelson, JM Netrakanti, PK Nikitin, VA Nogach, LV Nurushev, SB Odyniec, G Ogawa, A Okorokov, V Oldenburg, M Olson, D Pal, SK Panebratsev, Y Panitkin, SY Pavlinov, AI Pawlak, T Peitzmann, T Perevoztchikov, V Perkins, C Peryt, W Petrov, VA Phatak, SC Picha, R Planinic, M Pluta, J Porile, N Porter, J Poskanzer, AM Potekhin, M Potrebenikova, E Potukuchi, BVKS Prindle, D Pruneau, C Putschke, J Rakness, G Raniwala, R Raniwala, S Ravel, O Ray, RL Razin, SV Reichhold, D Reid, JG Reinnarth, J Renault, G Retiere, F Ridiger, A Ritter, HG Roberts, JB Rogachevskiy, OV Romero, JL Rose, A Roy, C Ruan, L Russcher, M Sahoo, R Sakrejda, I Salur, S Sandweiss, J Sarsour, M Savin, I Sazhin, PS Schambach, J Scharenberg, RP Schmitz, N Schweda, K Seger, J Seyboth, P Shahaliev, E Shao, M Shao, W Sharma, M Shen, WQ Shestermanov, KE Shimanskiy, SS Sichtermann, E Simon, F Singaraju, RN Smirnov, N Snellings, R Sood, G Sorensen, P Sowinski, J Speltz, J Spinka, HM Srivastava, B Stadnik, A Stanislaus, TDS Stock, R Stolpovsky, A Strikhanov, M Stringfellow, B Suaide, AAP Sugarbaker, E Suire, C Sumbera, M Surrow, B Swanger, M Symons, TJM Szanto de Toledo, A Tai, A Takahashi, J Tang, AH Tarnowsky, T Thein, D Thomas, JH Timmins, AR Timoshenko, S Tokarev, M Trentalange, S Tribble, RE Tsai, OD Ulery, J Ullrich, T Underwood, DG Van Buren, G van der Kolk, N van Leeuwen, M Vander Molen, AM Varma, R Vasilevski, IM Vasiliev, AN Vernet, R Vigdor, SE Viyogi, YP Vokal, S Voloshin, SA Waggoner, WT Wang, F Wang, G Wang, G Wang, XL Wang, Y Wang, Y Wang, ZM Ward, H Watson, JW Webb, JC Westfall, GD Wetzler, A Whitten, C Wieman, H Wissink, SW Witt, R Wood, J Wu, J Xu, N Xu, Z Xu, ZZ Yamamoto, E Yepes, P Yurevich, VI Zborovsky, I Zhang, H Zhang, WM Zhang, Y Zhang, ZP Zhong, C Zoulkarneev, R Zoulkarneeva, Y Zubarev, AN Zuo, JX CA STAR Collaboration TI Multistrange baryon elliptic flow in Au plus Au collisions at root(NN)-N-S=200 GeV SO PHYSICAL REVIEW LETTERS LA English DT Article ID FINITE-TEMPERATURE; NUCLEAR COLLISIONS; ANISOTROPIC FLOW; LATTICE QCD; SIGNATURE AB We report on the first measurement of elliptic flow nu(2)(p(T)) of multistrange baryons Xi(-)+Xi(+) and Omega(-)+Omega(+) in heavy-ion collisions. In minimum-bias Au+Au collisions at root s(NN)=200 GeV, a significant amount of elliptic flow, comparable to other nonstrange baryons, is observed for multistrange baryons which are expected to be particularly sensitive to the dynamics of the partonic stage of heavy-ion collisions. The p(T) dependence of nu(2) of the multistrange baryons confirms the number of constituent quark scaling previously observed for lighter hadrons. These results support the idea that a substantial fraction of the observed collective motion is developed at the early partonic stage in ultrarelativistic nuclear collisions at the Relativistic Heavy Ion Collider. C1 Univ Birmingham, Birmingham B15 2TT, W Midlands, England. Argonne Natl Lab, Argonne, IL 60439 USA. Univ Bern, CH-3012 Bern, Switzerland. Brookhaven Natl Lab, Upton, NY 11973 USA. CALTECH, Pasadena, CA 91125 USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. Univ Calif Davis, Davis, CA 95616 USA. Univ Calif Los Angeles, Los Angeles, CA 90095 USA. Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. Creighton Univ, Omaha, NE 68178 USA. AS CR, Inst Nucl Phys, Rez 25068, Czech Republic. Joint Inst Nucl Res Dubna, Lab High Energy, Dubna, Russia. Joint Inst Nucl Res Dubna, Particle Phys Lab, Dubna, Russia. Goethe Univ Frankfurt, D-6000 Frankfurt, Germany. Inst Phys, Bhubaneswar 751005, Orissa, India. Indian Inst Technol, Bombay 400076, Maharashtra, India. Indiana Univ, Bloomington, IN 47408 USA. Inst Rech Subatom, Strasbourg, France. Univ Jammu, Jammu 180001, India. Kent State Univ, Kent, OH 44242 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. MIT, Cambridge, MA 02139 USA. Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. Michigan State Univ, E Lansing, MI 48824 USA. Moscow Engn Phys Inst, Moscow 115409, Russia. CUNY City Coll, New York, NY 10031 USA. NIKHEF H, NL-1009 DB Amsterdam, Netherlands. Univ Utrecht, Amsterdam, Netherlands. Ohio State Univ, Columbus, OH 43210 USA. Panjab Univ, Chandigarh 160014, India. Penn State Univ, University Pk, PA 16802 USA. Inst High Energy Phys, Protvino, Russia. Purdue Univ, W Lafayette, IN 47907 USA. Univ Rajasthan, Jaipur 302004, Rajasthan, India. Rice Univ, Houston, TX 77251 USA. Univ Sao Paulo, Sao Paulo, Brazil. Univ Sci & Technol China, Anhui 230027, Peoples R China. Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China. SUBATECH, Nantes, France. Texas A&M Univ, College Stn, TX 77843 USA. Univ Texas, Austin, TX 78712 USA. Tsinghua Univ, Beijing 100084, Peoples R China. Valparaiso Univ, Valparaiso, IN 46383 USA. Variable Energy Cyclotron Ctr, Kolkata 700064, W Bengal, India. Warsaw Univ Technol, Warsaw, Poland. Univ Washington, Seattle, WA 98195 USA. Wayne State Univ, Detroit, MI 48201 USA. HZNU, CCNU, Inst Particle Phys, Wuhan 430079, Peoples R China. Yale Univ, New Haven, CT 06520 USA. Univ Zagreb, HR-10002 Zagreb, Croatia. RP Adams, J (reprint author), Univ Birmingham, Birmingham B15 2TT, W Midlands, England. RI Dogra, Sunil /B-5330-2013; Kisiel, Adam/O-8754-2015; Chaloupka, Petr/E-5965-2012; Suaide, Alexandre/L-6239-2016; van der Kolk, Naomi/M-9423-2016; Okorokov, Vitaly/C-4800-2017; Ma, Yu-Gang/M-8122-2013; Strikhanov, Mikhail/P-7393-2014; Castillo Castellanos, Javier/G-8915-2013; Voloshin, Sergei/I-4122-2013; Planinic, Mirko/E-8085-2012; Chen, Yu/E-3788-2012; Takahashi, Jun/B-2946-2012; Barnby, Lee/G-2135-2010; Mischke, Andre/D-3614-2011; Witt, Richard/H-3560-2012; Lednicky, Richard/K-4164-2013; Zborovsky, Imrich/G-7964-2014; Cosentino, Mauro/L-2418-2014; Sumbera, Michal/O-7497-2014 OI Kisiel, Adam/0000-0001-8322-9510; Suaide, Alexandre/0000-0003-2847-6556; van der Kolk, Naomi/0000-0002-8670-0408; Okorokov, Vitaly/0000-0002-7162-5345; Ma, Yu-Gang/0000-0002-0233-9900; Strikhanov, Mikhail/0000-0003-2586-0405; Castillo Castellanos, Javier/0000-0002-5187-2779; Takahashi, Jun/0000-0002-4091-1779; Barnby, Lee/0000-0001-7357-9904; Cosentino, Mauro/0000-0002-7880-8611; Sumbera, Michal/0000-0002-0639-7323 NR 36 TC 70 Z9 70 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 SEP 16 PY 2005 VL 95 IS 12 AR 122301 DI 10.1103/PhysRevLett.95.122301 PG 6 WC Physics, Multidisciplinary SC Physics GA 964VD UT WOS:000231908200016 ER PT J AU Aubert, B Barate, R Boutigny, D Couderc, F Karyotakis, Y Lees, JP Poireau, V Tisserand, V Zghiche, A Grauges, E Palano, A Pappagallo, M Pompili, A Chen, JC Qi, ND Rong, G Wang, P Zhu, YS Eigen, G Ofte, I Stugu, B Abrams, GS Battaglia, M Borgland, AW Breon, AB Brown, DN Button-Shafer, J Cahn, RN Charles, E Day, CT Gill, MS Gritsan, AV Groysman, Y Jacobsen, RG Kadel, RW Kadyk, J Kerth, LT Kolomensky, YG Kukartsev, G Lynch, G Mir, LM Oddone, PJ Orimoto, TJ Pripstein, M Roe, NA Ronan, MT Wenzel, WA Barrett, M Ford, KE Harrison, TJ Hart, AJ Hawkes, CM Morgan, SE Watson, AT Fritsch, M Goetzen, K Held, T Koch, H Lewandowski, B Pelizaeus, M Peters, K Schroeder, T Steinke, M Boyd, JT Burke, JP Chevalier, N Cottingham, WN Kelly, MP Cuhadar-Donszelmann, T Hearty, C Knecht, NS Mattison, TS McKenna, JA Khan, A Kyberd, P Teodorescu, L Blinov, AE Blinov, VE Bukin, AD Druzhinin, VP Golubev, VB Ivanchenko, VN Kravchenko, EA Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Yushkov, AN Best, D Bondioli, M Bruinsma, M Chao, M Eschrich, I Kirkby, D Lankford, AJ Mandelkern, M Mommsen, RK Roethel, W Stoker, DP Buchanan, C Hartfiel, BL Weinstein, AJR Foulkes, SD Gary, JW Long, O Shen, BC Wang, K Zhang, L del Re, D Hadavand, HK Hill, EJ MacFarlane, DB Paar, HP Rahatlou, S Sharma, V Berryhill, JW Campagnari, C Cunha, A Dahmes, B Hong, TM Lu, A Mazur, MA Richman, JD Verkerke, W Beck, TW Eisner, AM Flacco, CJ Heusch, CA Kroseberg, J Lockman, WS Nesom, G Schalk, T Schumm, BA Seiden, A Spradlin, P Williams, DC Wilson, MG Albert, J Chen, E Dubois-Felsmann, GP Dvoretskii, A Hitlin, DG Narsky, I Piatenko, T Porter, FC Ryd, A Samuel, A Andreassen, R Jayatilleke, S Mancinelli, G Meadows, BT Sokoloff, MD Blanc, F Bloom, P Chen, S Ford, WT Nauenberg, U Olivas, A Rankin, P Ruddick, WO Smith, JG Ulmer, KA Wagner, SR Zhang, J Chen, A 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Lusiani, A Marchiori, G Morganti, M Neri, N Paoloni, E Rama, M Rizzo, G Simi, G Walsh, J Haire, M Judd, D Paick, K Wagoner, DE Biesiada, J Danielson, N Elmer, P Lau, YP Lu, C Olsen, J Smith, AJS Telnov, AV Bellini, F Cavoto, G D'Orazio, A Di Marco, E Faccini, R Ferrarotto, F Ferroni, F Li Gioi, L Mazzoni, MA Morganti, S Piredda, G Polci, F Safai Tehrani, F Voena, C Christ, S Schroder, H Wagner, G Waldi, R Adye, T De Groot, N Franek, B Gopal, GP Olaiya, EO Wilson, FF Aleksan, R Emery, S Gaidot, A Ganzhur, SF Giraud, PF Graziani, G Hamel de Monchenault, G Kozanecki, W Legendre, M London, GW Mayer, B Vasseur, G Yeche, C Zito, M Purohit, MV Weidemann, AW Wilson, JR Yumiceva, FX Abe, T Allen, MT Aston, D Bartoldus, R Berger, N Boyarski, AM Buchmueller, OL Claus, R Convery, MR Cristinziani, M Dingfelder, JC Dong, D Dorfan, J Dujmic, D Dunwoodie, W Fan, S Field, RC Glanzman, T Gowdy, SJ Hadig, T Halyo, V Hast, C Hryn'ova, T Innes, WR Kelsey, MH Kim, P Kocian, ML Leith, DWGS Libby, J Luitz, S Luth, V Lynch, HL Marsiske, H Messner, R Muller, DR O'Grady, CP Ozcan, VE Perazzo, A Perl, M Ratcliff, BN Roodman, A Salnikov, AA Schindler, RH Schwiening, J Snyder, A Stelzer, J Strube, J Su, D Sullivan, MK Suzuki, K Thompson, JM Va'vra, J Weaver, M Wisniewski, WJ Wittgen, M Wright, DH Yarritu, AK Yi, K Young, CC Burchat, PR Edwards, AJ Majewski, SA Petersen, BA Roat, C Ahmed, M Ahmed, S Alam, MS Ernst, JA Saeed, MA Saleem, M Wappler, FR Zain, SB Bugg, W Krishnamurthy, M Spanier, SM Eckmann, R Ritchie, JL Satpathy, A Schwitters, RF Izen, JM Kitayama, I Lou, XC Ye, S Bianchi, F Bona, M Gallo, F Gamba, D Bomben, M Bosisio, L Cartaro, C Cossutti, F Della Ricca, G Dittongo, S Grancagnolo, S Lanceri, L Poropat, P Vitale, L Vuagnin, G Martinez-Vidal, F Panvini, RS Banerjee, S Bhuyan, B Brown, CM Fortin, D Hamano, K Kowalewski, R Roney, JM Sobie, RJ Back, JJ Harrison, PF Latham, TE Mohanty, GB Band, HR Chen, X Cheng, B Dasu, S Datta, M Eichenbaum, AM Flood, KT Graham, M Hollar, JJ Johnson, JR Kutter, PE Li, H Liu, R Mellado, B Mihalyi, A Pan, Y Prepost, R Tan, P von Wimmersperg-Toeller, JH Wu, J Wu, SL Yu, Z Greene, MG Neal, H AF Aubert, B Barate, R Boutigny, D Couderc, F Karyotakis, Y Lees, JP Poireau, V Tisserand, V Zghiche, A Grauges, E Palano, A Pappagallo, M Pompili, A Chen, JC Qi, ND Rong, G Wang, P Zhu, YS Eigen, G Ofte, I Stugu, B Abrams, GS Battaglia, M Borgland, AW Breon, AB Brown, DN Button-Shafer, J Cahn, RN Charles, E Day, CT Gill, MS Gritsan, AV Groysman, Y Jacobsen, RG Kadel, RW Kadyk, J Kerth, LT Kolomensky, YG Kukartsev, G Lynch, G Mir, LM Oddone, PJ Orimoto, TJ Pripstein, M Roe, NA Ronan, MT Wenzel, WA Barrett, M Ford, KE Harrison, TJ Hart, AJ Hawkes, CM Morgan, SE Watson, AT Fritsch, M Goetzen, K Held, T Koch, H Lewandowski, B Pelizaeus, M Peters, K Schroeder, T Steinke, M Boyd, JT Burke, JP Chevalier, N Cottingham, WN Kelly, MP Cuhadar-Donszelmann, T Hearty, C Knecht, NS Mattison, TS McKenna, JA Khan, A Kyberd, P Teodorescu, L Blinov, AE Blinov, VE Bukin, AD Druzhinin, VP Golubev, VB Ivanchenko, VN Kravchenko, EA Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Yushkov, AN Best, D Bondioli, M Bruinsma, M Chao, M Eschrich, I Kirkby, D Lankford, AJ Mandelkern, M Mommsen, RK Roethel, W Stoker, DP Buchanan, C Hartfiel, BL Weinstein, AJR Foulkes, SD Gary, JW Long, O Shen, BC Wang, K Zhang, L del Re, D Hadavand, HK Hill, EJ MacFarlane, DB Paar, HP Rahatlou, S Sharma, V Berryhill, JW Campagnari, C Cunha, A Dahmes, B Hong, TM Lu, A Mazur, MA Richman, JD Verkerke, W Beck, TW Eisner, AM Flacco, CJ Heusch, CA Kroseberg, J Lockman, WS Nesom, G Schalk, T Schumm, BA Seiden, A Spradlin, P Williams, DC Wilson, MG Albert, J Chen, E Dubois-Felsmann, GP Dvoretskii, A Hitlin, DG Narsky, I Piatenko, T Porter, FC Ryd, A Samuel, A Andreassen, R Jayatilleke, S Mancinelli, G Meadows, BT Sokoloff, MD Blanc, F Bloom, P Chen, S Ford, WT Nauenberg, U Olivas, A Rankin, P Ruddick, WO Smith, JG Ulmer, KA Wagner, SR Zhang, J Chen, A Eckhart, EA Harton, JL Soffer, A Toki, WH Wilson, RJ Zeng, Q Spaan, B Altenburg, D Brandt, T Brose, J Dickopp, M Feltresi, E Hauke, A Klose, V Lacker, HM Maly, E Nogowski, R Otto, S Petzold, A Schott, G Schubert, J Schubert, KR Schwierz, R Sundermann, JE Bernard, D Bonneaud, GR Grenier, P Schrenk, S Thiebaux, C Vasileiadis, G Verderi, M Bard, DJ Clark, PJ Gradl, W Muheim, F Playfer, S Xie, Y Andreotti, M Azzolini, V Bettoni, D Bozzi, C Calabrese, R Cibinetto, G Luppi, E Negrini, M Piemontese, L Anulli, F Baldini-Ferroli, R Calcaterra, A de Sangro, R Finocchiaro, G Patteri, P Peruzzi, IM Piccolo, M Zallo, A Buzzo, A Capra, R Contri, R Lo Vetere, M Macri, M Monge, MR Passaggio, S Patrignani, C Robutti, E Santroni, A Tosi, S Bailey, S Brandenburg, G Chaisanguanthum, KS Morii, M Won, E Dubitzky, RS Langenegger, U Marks, J Schenk, S Uwer, U Bhimji, W Bowerman, DA Dauncey, PD Egede, U Flack, RL Gaillard, JR Morton, GW Nash, JA Nikolich, MB Taylor, GP Charles, MJ Grenier, GJ Mallik, U Mohapatra, AK Cochran, J Crawley, HB Eyges, V Meyer, WT Prell, S Rosenberg, EI Rubin, AE Yi, J Arnaud, N Davier, M Giroux, X Grosdidier, G Hocker, A Le Diberder, F Lepeltier, V Lutz, AM Oyanguren, A Petersen, TC Pierini, M Plaszczynski, S Rodier, S Roudeau, P Schune, MH Stocchi, A Wormser, G Cheng, CH Lange, DJ Simani, MC Wright, DM Bevan, AJ Chavez, CA Coleman, JP Forster, IJ Fry, JR Gabathuler, E Gamet, R George, KA Hutchcroft, DE Parry, RJ Payne, DJ Touramanis, C Cormack, CM Di Lodovico, F Brown, CL Cowan, G Flaecher, HU Green, MG Jackson, PS McMahon, TR Ricciardi, S Salvatore, F Brown, D Davis, CL Allison, J Barlow, NR Barlow, RJ Hodgkinson, MC Lafferty, GD Naisbit, MT Williams, JC Chen, C Farbin, A Hulsbergen, WD Jawahery, A Kovalskyi, D Lae, CK Lillard, V Roberts, DA Blaylock, G Dallapiccola, C Hertzbach, SS Kofler, R Koptchev, VB Li, X Moore, TB Saremi, S Staengle, H Willocq, S Cowan, R Koeneke, K Sciolla, G Sekula, SJ Taylor, F Yamamoto, RK Kim, H Patel, PM Robertson, SH Lazzaro, A Lombardo, V Palombo, F Bauer, JM Cremaldi, L Eschenburg, V Godang, R Kroeger, R Reidy, J Sanders, DA Summers, DJ Zhao, HW Brunet, S Cote, D Taras, P Viaud, B Nicholson, H Cavallo, N De Nardo, G Fabozzi, F Gatto, C Lista, L Monorchio, D Paolucci, P Piccolo, D Sciacca, C Baak, M Bulten, H Raven, G Snoek, HL Wilden, L Jessop, CP LoSecco, JM Allmendinger, T Benelli, G Gan, KK Honscheid, K Hufnagel, D Jackson, PD Kagan, H Kass, R Pulliam, T Rahimi, AM Ter-Antonyan, R Wong, QK Brau, J Frey, R Igonkina, O Lu, M Potter, CT Sinev, NB Strom, D Torrence, E Colecchia, F Dorigo, A Galeazzi, F Margoni, M Morandin, M Posocco, M Rotondo, M Simonetto, F Stroili, R Voci, C Benayoun, M Briand, H Chauveau, J David, P Del Buono, L de la Vaissiere, C Hamon, O John, MJJ Leruste, P Malcles, J Ocariz, J Roos, L Therin, G Behera, PK Gladney, L Guo, QH Panetta, J Biasini, M Covarelli, R Pacetti, S Pioppi, M Angelini, C Batignani, G Bettarini, S Bucci, F Calderini, G Carpinelli, M Forti, F Giorgi, MA Lusiani, A Marchiori, G Morganti, M Neri, N Paoloni, E Rama, M Rizzo, G Simi, G Walsh, J Haire, M Judd, D Paick, K Wagoner, DE Biesiada, J Danielson, N Elmer, P Lau, YP Lu, C Olsen, J Smith, AJS Telnov, AV Bellini, F Cavoto, G D'Orazio, A Di Marco, E Faccini, R Ferrarotto, F Ferroni, F Li Gioi, L Mazzoni, MA Morganti, S Piredda, G Polci, F Safai Tehrani, F Voena, C Christ, S Schroder, H Wagner, G Waldi, R Adye, T De Groot, N Franek, B Gopal, GP Olaiya, EO Wilson, FF Aleksan, R Emery, S Gaidot, A Ganzhur, SF Giraud, PF Graziani, G Hamel de Monchenault, G Kozanecki, W Legendre, M London, GW Mayer, B Vasseur, G Yeche, C Zito, M Purohit, MV Weidemann, AW Wilson, JR Yumiceva, FX Abe, T Allen, MT Aston, D Bartoldus, R Berger, N Boyarski, AM Buchmueller, OL Claus, R Convery, MR Cristinziani, M Dingfelder, JC Dong, D Dorfan, J Dujmic, D Dunwoodie, W Fan, S Field, RC Glanzman, T Gowdy, SJ Hadig, T Halyo, V Hast, C Hryn'ova, T Innes, WR Kelsey, MH Kim, P Kocian, ML Leith, DWGS Libby, J Luitz, S Luth, V Lynch, HL Marsiske, H Messner, R Muller, DR O'Grady, CP Ozcan, VE Perazzo, A Perl, M Ratcliff, BN Roodman, A Salnikov, AA Schindler, RH Schwiening, J Snyder, A Stelzer, J Strube, J Su, D Sullivan, MK Suzuki, K Thompson, JM Va'vra, J Weaver, M Wisniewski, WJ Wittgen, M Wright, DH Yarritu, AK Yi, K Young, CC Burchat, PR Edwards, AJ Majewski, SA Petersen, BA Roat, C Ahmed, M Ahmed, S Alam, MS Ernst, JA Saeed, MA Saleem, M Wappler, FR Zain, SB Bugg, W Krishnamurthy, M Spanier, SM Eckmann, R Ritchie, JL Satpathy, A Schwitters, RF Izen, JM Kitayama, I Lou, XC Ye, S Bianchi, F Bona, M Gallo, F Gamba, D Bomben, M Bosisio, L Cartaro, C Cossutti, F Della Ricca, G Dittongo, S Grancagnolo, S Lanceri, L Poropat, P Vitale, L Vuagnin, G Martinez-Vidal, F Panvini, RS Banerjee, S Bhuyan, B Brown, CM Fortin, D Hamano, K Kowalewski, R Roney, JM Sobie, RJ Back, JJ Harrison, PF Latham, TE Mohanty, GB Band, HR Chen, X Cheng, B Dasu, S Datta, M Eichenbaum, AM Flood, KT Graham, M Hollar, JJ Johnson, JR Kutter, PE Li, H Liu, R Mellado, B Mihalyi, A Pan, Y Prepost, R Tan, P von Wimmersperg-Toeller, JH Wu, J Wu, SL Yu, Z Greene, MG Neal, H CA BaBar Collaboration TI Measurement of the Cabibbo-Kobayashi-Maskawa angle gamma in B--/+->(DK -/+)-K-(*) decays with a Dalitz analysis of D -> K-S(0)pi(-)pi(+) SO PHYSICAL REVIEW LETTERS LA English DT Article ID CP-VIOLATION AB We report on a measurement of the Cabibbo-Kobayashi-Maskawa CP-violating phase gamma through a Dalitz analysis of neutral D decays to K(S)(0)pi(-)pi(+) in the processes B-/+-> (DK-/+)-K-(*), D-*-> D pi(0), D gamma. Using a sample of 227x10(6) BB pairs collected by the BABAR detector, we measure the amplitude ratios r(B)=0.12 +/- 0.08 +/- 0.03 +/- 0.04 and r(B)(*)=0.17 +/- 0.10 +/- 0.03 +/- 0.03, the relative strong phases delta(B)=(104 +/- 45(-21-24)(+17+16))degrees and delta(B)(*)=(-64 +/- 41(-12)(+14)+/- 15)degrees between the amplitudes A(B--> (DK-)-K-(*)0) and A(B--> (DK-)-K-(*)0), and gamma=(70 +/- 31(-10-11)(+12+14))degrees. The first error is statistical, the second is the experimental systematic uncertainty, and the third reflects the Dalitz model uncertainty. The results for the strong and weak phases have a twofold ambiguity. C1 Phys Particules Lab, F-74941 Annecy Le Vieux, France. Univ Autonoma Barcelona, IFAE, E-08193 Barcelona, Spain. Univ Bari, Dipartimento Fis, I-70126 Bari, Italy. Univ Bari, Ist Nazl Fis Nucl, I-70126 Bari, Italy. Inst High Energy Phys, Beijing 100039, Peoples R China. Univ Bergen, Inst Phys, N-5007 Bergen, Norway. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Birmingham, Birmingham B15 2TT, W Midlands, England. Ruhr Univ Bochum, Inst Expt Phys 1, D-44780 Bochum, Germany. Univ Bristol, Bristol BS8 1TL, Avon, England. Univ British Columbia, Vancouver, BC V6T 1Z1, Canada. Brunel Univ, Uxbridge UB8 3PH, Middx, England. Budker Inst Nucl Phys, Novosibirsk 630090, Russia. Univ Calif Irvine, Irvine, CA 92697 USA. Univ Calif Los Angeles, Los Angeles, CA 90024 USA. Univ Calif Riverside, Riverside, CA 92521 USA. Univ Calif San Diego, La Jolla, CA 92093 USA. Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. Univ Calif Santa Cruz, Inst Particle Phys, Santa Cruz, CA 95064 USA. CALTECH, Pasadena, CA 91125 USA. Univ Cincinnati, Cincinnati, OH 45221 USA. Univ Colorado, Boulder, CO 80309 USA. Colorado State Univ, Ft Collins, CO 80523 USA. Univ Dortmund, Inst Phys, D-44221 Dortmund, Germany. Tech Univ Dresden, Inst Kern & Teilchenphys, D-01062 Dresden, Germany. Ecole Polytech, LLR, F-91128 Palaiseau, France. Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. Univ Ferrara, Dipartimento Fis, I-44100 Ferrara, Italy. Univ Ferrara, Ist Nazl Fis Nucl, I-44100 Ferrara, Italy. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Genoa, Dipartimento Fis, I-16146 Genoa, Italy. Univ Genoa, Ist Nazl Fis Nucl, I-16146 Genoa, Italy. Harvard Univ, Cambridge, MA 02138 USA. Heidelberg Univ, Inst Phys, D-69120 Heidelberg, Germany. Univ London Imperial Coll Sci Technol & Med, London SW7 2AZ, England. Univ Iowa, Iowa City, IA 52242 USA. Iowa State Univ Sci & Technol, Ames, IA 50011 USA. Accelerateur Lineaire Lab, F-91898 Orsay, France. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Liverpool, Liverpool L69 72E, Merseyside, England. Queen Mary Univ London, London E1 4NS, England. Univ London Royal Holloway & Bedford New Coll, Egham TW20 0EX, Surrey, England. Univ Louisville, Louisville, KY 40292 USA. Univ Manchester, Manchester M13 9PL, Lancs, England. Univ Maryland, College Pk, MD 20742 USA. Univ Massachusetts, Amherst, MA 01003 USA. MIT, Nucl Sci Lab, Cambridge, MA 02139 USA. McGill Univ, Montreal, PQ H3A 2T8, Canada. Univ Milan, Dipartimento Fis, I-20133 Milan, Italy. Univ Milan, Ist Nazl Fis Nucl, I-20133 Milan, Italy. Univ Mississippi, University, MS 38677 USA. Univ Montreal, Lab Rene JA Levesque, Montreal, PQ H3C 3J7, Canada. Mt Holyoke Coll, S Hadley, MA 01075 USA. Univ Naples Federico II, Dipartimento Sci Fis, I-80126 Naples, Italy. Univ Naples Federico II, Ist Nazl Fis Nucl, I-80126 Naples, Italy. NIKHEF H, Natl Inst Nucl Phys & High Energy Phys, NL-1009 DB Amsterdam, Netherlands. Univ Notre Dame, Notre Dame, IN 46556 USA. Ohio State Univ, Columbus, OH 43210 USA. Univ Oregon, Eugene, OR 97403 USA. Univ Padua, Dipartimento Fis, I-35131 Padua, Italy. Univ Padua, Ist Nazl Fis Nucl, I-35131 Padua, Italy. Univ Paris 06, Lab Phys Nucl & Hautes Energies, F-75252 Paris, France. Univ Paris 07, Lab Phys Nucl & Hautes Energies, F-75252 Paris, France. Univ Penn, Philadelphia, PA 19104 USA. Univ Perugia, Dipartimento Fis, I-06100 Perugia, Italy. Univ Perugia, Ist Nazl Fis Nucl, I-06100 Perugia, Italy. Scuola Normale Super Pisa, Dipartimento Fis, I-56127 Pisa, Italy. Univ Pisa, Ist Nazl Fis Nucl, I-56127 Pisa, Italy. Prairie View A&M Univ, Prairie View, TX 77446 USA. Princeton Univ, Princeton, NJ 08544 USA. Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. Univ Roma La Sapienza, Ist Nazl Fis Nucl, I-00185 Rome, Italy. Univ Rostock, D-18051 Rostock, Germany. Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. CEA Saclay, DSM Dapnia, F-91191 Gif Sur Yvette, France. Univ S Carolina, Columbia, SC 29208 USA. Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. Stanford Univ, Stanford, CA 94305 USA. SUNY Albany, Albany, NY 12222 USA. Univ Tennessee, Knoxville, TN 37996 USA. Univ Texas, Austin, TX 78712 USA. Univ Texas, Richardson, TX 75083 USA. Univ Turin, Dipartimento Fis Sperimentale, I-10125 Turin, Italy. Univ Turin, Ist Nazl Fis Nucl, I-10125 Turin, Italy. Univ Valencia, CSIC, IFIC, E-46071 Valencia, Spain. Vanderbilt Univ, Nashville, TN 37235 USA. Univ Victoria, Victoria, BC V8W 3P6, Canada. Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06511 USA. RP Phys Particules Lab, F-74941 Annecy Le Vieux, France. RI Peters, Klaus/C-2728-2008; Cavallo, Nicola/F-8913-2012; Saeed, Mohammad Alam/J-7455-2012; de Groot, Nicolo/A-2675-2009; Lista, Luca/C-5719-2008; Bellini, Fabio/D-1055-2009; crosetti, nanni/H-3040-2011; Roe, Natalie/A-8798-2012; Neri, Nicola/G-3991-2012; Forti, Francesco/H-3035-2011; Rotondo, Marcello/I-6043-2012; Patrignani, Claudia/C-5223-2009; de Sangro, Riccardo/J-2901-2012; Negrini, Matteo/C-8906-2014; Monge, Maria Roberta/G-9127-2012; Oyanguren, Arantza/K-6454-2014; Luppi, Eleonora/A-4902-2015; Kravchenko, Evgeniy/F-5457-2015; Calabrese, Roberto/G-4405-2015; Mir, Lluisa-Maria/G-7212-2015; Martinez Vidal, F*/L-7563-2014; Kolomensky, Yury/I-3510-2015; Lo Vetere, Maurizio/J-5049-2012; Grancagnolo, Sergio/J-3957-2015; Sarti, Alessio/I-2833-2012; M, Saleem/B-9137-2013; 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 OI Peters, Klaus/0000-0001-7133-0662; Saeed, Mohammad Alam/0000-0002-3529-9255; Bellini, Fabio/0000-0002-2936-660X; Neri, Nicola/0000-0002-6106-3756; Forti, Francesco/0000-0001-6535-7965; Rotondo, Marcello/0000-0001-5704-6163; Patrignani, Claudia/0000-0002-5882-1747; de Sangro, Riccardo/0000-0002-3808-5455; 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; Calabrese, Roberto/0000-0002-1354-5400; Mir, Lluisa-Maria/0000-0002-4276-715X; Martinez Vidal, F*/0000-0001-6841-6035; Kolomensky, Yury/0000-0001-8496-9975; Lo Vetere, Maurizio/0000-0002-6520-4480; Grancagnolo, Sergio/0000-0001-8490-8304; Sarti, Alessio/0000-0001-5419-7951; 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 NR 20 TC 196 Z9 197 U1 0 U2 10 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 SEP 16 PY 2005 VL 95 IS 12 AR 121802 DI 10.1103/PhysRevLett.95.121802 PG 7 WC Physics, Multidisciplinary SC Physics GA 964VD UT WOS:000231908200013 PM 16197131 ER PT J AU Aubin, C Bernard, C DeTar, C Di Pierro, M Freeland, ED Gottlieb, S Heller, UM Hetrick, JE El-Khadra, AX Kronfeld, AS Levkova, L Mackenzie, PB Menscher, D Maresca, F Nobes, M Okamoto, M Renner, D Simone, J Sugar, R Toussaint, D Trottier, HD AF Aubin, C Bernard, C DeTar, C Di Pierro, M Freeland, ED Gottlieb, S Heller, UM Hetrick, JE El-Khadra, AX Kronfeld, AS Levkova, L Mackenzie, PB Menscher, D Maresca, F Nobes, M Okamoto, M Renner, D Simone, J Sugar, R Toussaint, D Trottier, HD CA Fermilab Lattice Collaboration MILC Collaboration HPQCD Collaboration TI Charmed-meson decay constants in three-flavor lattice QCD SO PHYSICAL REVIEW LETTERS LA English DT Article ID CHIRAL PERTURBATION-THEORY; STAGGERED LIGHT QUARKS; HEAVY QUARKS; FORM-FACTORS; FERMIONS; SPECTRUM; PHYSICS AB We present the first lattice QCD calculation with realistic sea quark content of the D+-meson decay constant f(D)(+). We use the MILC Collaboration's publicly available ensembles of lattice gauge fields, which have a quark sea with two flavors (up and down) much lighter than a third (strange). We obtain f(D)(+)=201 +/- 3 +/- 17 MeV, where the errors are statistical and a combination of systematic errors. We also obtain f(Ds)=249 +/- 3 +/- 16 MeV for the D-s meson. C1 Columbia Univ, Dept Phys, New York, NY 10027 USA. Washington Univ, Dept Phys, St Louis, MO 63130 USA. Univ Utah, Dept Phys, Salt Lake City, UT 84112 USA. Depaul Univ, Sch Comp Sci Telecommun & Informat Syst, Chicago, IL 60604 USA. Art Inst Chicago, Liberal Arts Dept, Sch, Chicago, IL 60603 USA. Indiana Univ, Dept Phys, Bloomington, IN 47405 USA. Amer Phys Soc, Ridge, NY 11961 USA. Univ Pacific, Dept Phys, Stockton, CA 95211 USA. Univ Illinois, Dept Phys, Urbana, IL 61801 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Cornell Univ, Lab Elementary Particle Phys, Ithaca, NY 14853 USA. Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. RP Columbia Univ, Dept Phys, 538 W 120th St, New York, NY 10027 USA. OI Hetrick, James/0000-0002-0740-2251; Heller, Urs M./0000-0002-2780-5584 NR 46 TC 109 Z9 109 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 SEP 16 PY 2005 VL 95 IS 12 AR 122002 DI 10.1103/PhysRevLett.95.122002 PG 5 WC Physics, Multidisciplinary SC Physics GA 964VD UT WOS:000231908200015 PM 16197067 ER PT J AU Cacciari, M Nason, P Vogt, R AF Cacciari, M Nason, P Vogt, R TI QCD predictions for charm and bottom quark production at RHIC SO PHYSICAL REVIEW LETTERS LA English DT Article ID HEAVY-ION COLLISIONS; HADRONIC COLLISIONS; CROSS-SECTION; PHYSICS AB We make up-to-date QCD predictions for open charm and bottom production at RHIC in nucleon-nucleon collisions at root S=200 GeV. We also calculate the electron spectrum resulting from heavy flavor decays to allow direct comparison to the data. A rigorous benchmark, including the theoretical uncertainties, is established against which nuclear collision data can be compared to obtain evidence for nuclear effects. C1 Univ Paris 06, Phys Theor & Hautes Energies Lab, F-75252 Paris, France. Ist Nazl Fis Nucl, Sez Milano, I-20133 Milan, Italy. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif Davis, Davis, CA 95616 USA. RP Univ Paris 06, Phys Theor & Hautes Energies Lab, F-75252 Paris, France. EM cacciari@lpthe.jussieu.fr; Paolo.Nason@mib.infn.it; vogt@lbl.gov NR 35 TC 310 Z9 313 U1 1 U2 4 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 SEP 16 PY 2005 VL 95 IS 12 AR 122001 DI 10.1103/PhysRevLett.95.122001 PG 4 WC Physics, Multidisciplinary SC Physics GA 964VD UT WOS:000231908200014 PM 16197066 ER PT J AU Gaffney, KJ Lindenberg, AM Larsson, J Sokolowski-Tinten, K Blome, C Synnergren, O Sheppard, J Caleman, C MacPhee, AG Weinstein, D Lowney, DP Allison, T Matthews, T Falcone, RW Cavalieri, AL Fritz, DM Lee, SH Bucksbaum, PH Reis, DA Rudati, J Macrander, AT Fuoss, PH Kao, CC Siddons, DP Pahl, R Moffat, K Als-Nielsen, J Duesterer, S Ischebeck, R Schlarb, H Schulte-Schrepping, H Schneider, J von der Linde, D Hignette, O Sette, F Chapman, HN Lee, RW Hansen, TN Wark, JS Bergh, M Huldt, G van der Spoel, D Timneanu, N Hajdu, J Akre, RA Bong, E Krejcik, P Arthur, J Brennan, S Luening, K Hastings, JB AF Gaffney, KJ Lindenberg, AM Larsson, J Sokolowski-Tinten, K Blome, C Synnergren, O Sheppard, J Caleman, C MacPhee, AG Weinstein, D Lowney, DP Allison, T Matthews, T Falcone, RW Cavalieri, AL Fritz, DM Lee, SH Bucksbaum, PH Reis, DA Rudati, J Macrander, AT Fuoss, PH Kao, CC Siddons, DP Pahl, R Moffat, K Als-Nielsen, J Duesterer, S Ischebeck, R Schlarb, H Schulte-Schrepping, H Schneider, J von der Linde, D Hignette, O Sette, F Chapman, HN Lee, RW Hansen, TN Wark, JS Bergh, M Huldt, G van der Spoel, D Timneanu, N Hajdu, J Akre, RA Bong, E Krejcik, P Arthur, J Brennan, S Luening, K Hastings, JB TI Observation of structural anisotropy and the onset of liquidlike motion during the nonthermal melting of InSb SO PHYSICAL REVIEW LETTERS LA English DT Article ID FEMTOSECOND LASER-PULSES; SEMICONDUCTORS; DYNAMICS; TRANSITIONS; DIFFRACTION; NUCLEATION; RESOLUTION; SILICON AB The melting dynamics of laser excited InSb have been studied with femtosecond x-ray diffraction. These measurements observe the delayed onset of diffusive atomic motion, signaling the appearance of liquidlike dynamics. They also demonstrate that the root-mean-squared displacement in the [111] direction increases faster than in the [110] direction after the first 500 fs. This structural anisotropy indicates that the initially generated fluid differs significantly from the equilibrium liquid. C1 Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. Lund Inst Technol, Dept Phys, S-22100 Lund, Sweden. Inst Opt & Quantenelektron, D-07743 Jena, Germany. Univ Duisburg Gesamthsch, Inst Expt Phys, D-45117 Essen, Germany. DESY, Deutsch Elektronen Synchrotron, D-22607 Hamburg, Germany. Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. Uppsala Univ, Biomed Ctr, Dept Cell & Mol Biol, SE-75124 Uppsala, Sweden. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Michigan, FOCUS Ctr, Dept Phys, Ann Arbor, MI 48109 USA. Univ Michigan, Appl Phys Program, Ann Arbor, MI 48109 USA. Max Planck Inst Quantum Opt, D-85748 Garching, Germany. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. Univ Chicago, Consortium Adv Radiat Sources, Chicago, IL 60637 USA. Univ Copenhagen, Niels Bohr Inst, DK-2100 Copenhagen, Denmark. European Synchrotron Radiat Facil, F-38043 Grenoble, France. Lawrence Livermore Natl Lab, Dept Phys, Livermore, CA 94550 USA. Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Gaffney, KJ (reprint author), Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RI van der Spoel, David/A-5471-2008; Chapman, Henry/G-2153-2010; Timneanu, Nicusor/C-7691-2012; Sokolowski-Tinten, Klaus/A-5415-2015 OI van der Spoel, David/0000-0002-7659-8526; Chapman, Henry/0000-0002-4655-1743; Timneanu, Nicusor/0000-0001-7328-0400; NR 27 TC 40 Z9 40 U1 0 U2 15 PU AMERICAN 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 SEP 16 PY 2005 VL 95 IS 12 AR 125701 DI 10.1103/PhysRevLett.95.125701 PG 5 WC Physics, Multidisciplinary SC Physics GA 964VD UT WOS:000231908200033 PM 16197085 ER PT J AU Kendziora, CA Sergienko, IA Jin, R He, J Keppens, V Sales, BC Mandrus, D AF Kendziora, CA Sergienko, IA Jin, R He, J Keppens, V Sales, BC Mandrus, D TI Goldstone-mode phonon dynamics in the pyrochlore Cd2Re2O7 SO PHYSICAL REVIEW LETTERS LA English DT Article ID SUPERCONDUCTOR CD2RE2O7; OXIDE AB We have measured the polarized Raman scattering spectra of Cd2Re2O7, the first superconducting pyrochlore, as a function of temperature. For temperatures below the cubic-to-tetragonal structural phase transition (SPT) at 200 K, a peak with B-1 symmetry develops at zero frequency with divergent intensity. We identify this peak as the first observation of the Goldstone phonon in a crystalline solid. The Goldstone phonon is a collective excitation that exists due to the breaking of the continuous symmetry with the SPT. Its emergence coincides with that of a Raman-active soft mode. The order parameter for both features derives from an unstable doubly degenerate vibration (with E-u symmetry) of the O1 atoms which drives the SPT. C1 USN, Res Lab, Washington, DC 20375 USA. Mem Univ Newfoundland, Dept Phys & Phys Oceanog, St John, NF A1B 3X7, Canada. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Kendziora, CA (reprint author), USN, Res Lab, Washington, DC 20375 USA. RI Mandrus, David/H-3090-2014 NR 21 TC 15 Z9 15 U1 3 U2 10 PU AMERICAN 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 SEP 16 PY 2005 VL 95 IS 12 AR 125503 DI 10.1103/PhysRevLett.95.125503 PG 4 WC Physics, Multidisciplinary SC Physics GA 964VD UT WOS:000231908200032 PM 16197084 ER PT J AU Martin, I Bulaevskii, L Shnirman, A AF Martin, I Bulaevskii, L Shnirman, A TI Tunneling spectroscopy of two-level systems inside a josephson junction SO PHYSICAL REVIEW LETTERS LA English DT Article ID QUANTUM-NOISE; SPECTRUM; PHONONS; VOLTAGE AB We consider a two-level system (TLS) with energy level separation h Omega(0) inside a Josephson junction. The junction is shunted by a resistor R and is voltage V biased. If the TLS modulates the Josephson energy and/or is optically active, it is Rabi driven by the Josephson oscillations in the running phase regime near the resonance 2eV=h Omega(0). The Rabi oscillations, in turn, translate into oscillations of current and voltage that can be detected in noise measurements. This effect provides an option to fully characterize the TLS inside Josephson junction and to find the TLS's contribution to the decoherence when the junction is used as a qubit. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Karlsruhe, Inst Theoret Festkorperphys, D-76128 Karlsruhe, Germany. RP Martin, I (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 19 TC 32 Z9 32 U1 1 U2 2 PU AMERICAN 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 SEP 16 PY 2005 VL 95 IS 12 AR 127002 DI 10.1103/PhysRevLett.95.127002 PG 4 WC Physics, Multidisciplinary SC Physics GA 964VD UT WOS:000231908200048 PM 16197100 ER PT J AU Rossnagel, K Rotenberg, E Koh, H Smith, NV Kipp, L AF Rossnagel, K Rotenberg, E Koh, H Smith, NV Kipp, L TI Continuous tuning of electronic correlations by alkali adsorption on layered 1T-TaS2 SO PHYSICAL REVIEW LETTERS LA English DT Article ID TRANSITION-METAL DICHALCOGENIDES; CHARGE-DENSITY-WAVE; MOTT-HUBBARD TRANSITION; FERMI-SURFACE; INTERCALATION; CS AB Angle-resolved photoemission spectroscopy shows that a Mott-Hubbard type metal-insulator transition occurs at the Rb adsorbed surface of the layered charge-density-wave compound 1T-TaS2. The transition is driven by adsorption induced modifications of the charge-density wave and of the interlayer coupling, leading to an increase of the on-site Coulomb correlation energy and a narrowing of the Ta 5d band perpendicular to the layers, respectively. The continuous rearrangement of spectral weight is measured live during the deposition process. C1 Univ Kiel, Inst Expt & Angewandte Phys, D-24098 Kiel, Germany. Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Rossnagel, K (reprint author), Univ Kiel, Inst Expt & Angewandte Phys, Olshaussenstr 40, D-24098 Kiel, Germany. RI Rotenberg, Eli/B-3700-2009; Rossnagel, Kai/F-8822-2011 OI Rotenberg, Eli/0000-0002-3979-8844; Rossnagel, Kai/0000-0001-5107-0090 NR 26 TC 10 Z9 10 U1 5 U2 17 PU AMERICAN 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 SEP 16 PY 2005 VL 95 IS 12 AR 126403 DI 10.1103/PhysRevLett.95.126403 PG 4 WC Physics, Multidisciplinary SC Physics GA 964VD UT WOS:000231908200040 PM 16197092 ER PT J AU Wheatley, V Pullin, DI Samtaney, R AF Wheatley, V Pullin, DI Samtaney, R TI Stability of an impulsively accelerated density interface in magnetohydrodynamics SO PHYSICAL REVIEW LETTERS LA English DT Article ID RICHTMYER-MESHKOV INSTABILITY AB In the framework of ideal incompressible magnetohydrodynamics, we examine the stability of an impulsively accelerated, sinusoidally perturbed density interface in the presence of a magnetic field that is parallel to the acceleration. This is accomplished by analytically solving the linearized initial value problem, which is a model for the Richtmyer-Meshkov instability. We find that the initial growth rate of the interface is unaffected by the presence of a magnetic field, but for a finite magnetic field the interface amplitude asymptotes to a constant value. Thus the instability of the interface is suppressed. The interface behavior from the analytical solution is compared to the results of both linearized and nonlinear compressible numerical simulations. C1 CALTECH, Grad Aeronaut Labs, Pasadena, CA 91125 USA. Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Wheatley, V (reprint author), CALTECH, Grad Aeronaut Labs, Pasadena, CA 91125 USA. RI Wheatley, Vincent/D-9627-2013 OI Wheatley, Vincent/0000-0002-7287-7659 NR 10 TC 25 Z9 26 U1 0 U2 4 PU AMERICAN 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 SEP 16 PY 2005 VL 95 IS 12 AR 125002 DI 10.1103/PhysRevLett.95.125002 PG 4 WC Physics, Multidisciplinary SC Physics GA 964VD UT WOS:000231908200029 PM 16197081 ER PT J AU Burns, CJ AF Burns, CJ TI Bridging a gap in actinide chemistry SO SCIENCE LA English DT Editorial Material ID URANIUM C1 Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Burns, CJ (reprint author), Los Alamos Natl Lab, Div Chem, MS J514, Los Alamos, NM 87545 USA. EM cjb@lanl.gov NR 10 TC 29 Z9 29 U1 0 U2 11 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 SEP 16 PY 2005 VL 309 IS 5742 BP 1823 EP 1824 DI 10.1126/science.1118701 PG 2 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 965ZN UT WOS:000231989500037 PM 16166507 ER PT J AU Bringa, EM Caro, A Wang, YM Victoria, M McNaney, JM Remington, BA Smith, RF Torralva, BR Van Swygenhoven, H AF Bringa, EM Caro, A Wang, YM Victoria, M McNaney, JM Remington, BA Smith, RF Torralva, BR Van Swygenhoven, H TI Ultrahigh strength in nanocrystalline materials under shock loading SO SCIENCE LA English DT Article ID MOLECULAR-DYNAMICS; PLASTIC-DEFORMATION; NANOPHASE METALS; COPPER; BEHAVIOR; SIMULATION; ASYMMETRY; WAVES AB Molecular dynamics simulations of nanocrystalline copper under shock loading show an unexpected ultrahigh strength behind the shock front, with values Lip to twice those at low pressure. Partial and perfect dislocations, twinning, and debris from dislocation interactions are found behind the shock front. Results are interpreted in terms of the pressure dependence of both deformation mechanisms active at these grain sizes, namely dislocation-based plasticity and grain boundary sliding. These simulations, together with new shock experiments on nanocrystalline nickel, raise the possibility of achieving ultrahard materials during and after shock loading. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Paul Scherrer Inst, CH-5232 Villigen, Switzerland. RP Bringa, EM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM ebringa@llnl.gov RI Bringa, Eduardo/F-8918-2011; McNaney, James/F-5258-2013; Wang, Yinmin (Morris)/F-2249-2010 OI Wang, Yinmin (Morris)/0000-0002-7161-2034 NR 27 TC 174 Z9 179 U1 9 U2 93 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 SEP 16 PY 2005 VL 309 IS 5742 BP 1838 EP 1841 DI 10.1126/science.1116723 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 965ZN UT WOS:000231989500044 PM 16166512 ER PT J AU Huang, YY Triscari, JM Tseng, GC Pasa-Tolic, L Lipton, MS Smith, RD Wysocki, VH AF Huang, YY Triscari, JM Tseng, GC Pasa-Tolic, L Lipton, MS Smith, RD Wysocki, VH TI Statistical characterization of the charge state and residue dependence of low-energy CID peptide dissociation patterns SO ANALYTICAL CHEMISTRY LA English DT Article ID TANDEM MASS-SPECTROMETRY; GAS-PHASE CLEAVAGE; PROTONATED PEPTIDES; TRYPTIC PEPTIDES; PROTEIN IDENTIFICATION; ASPARTIC-ACID; SPECTRA; DATABASE; FRAGMENTATION; PROTEOMICS AB Data mining was performed on 28 330 unique peptide tandem mass spectra for which sequences were assigned with high confidence. By dividing the spectra into different sets based on structural features and charge states of the corresponding peptides, chemical interactions involved in promoting specific cleavage patterns in gas-phase peptides were characterized. Pairwise fragmentation maps describing cleavages at afl Xxx-Zzz residue combinations for b and y ions reveal that the difference in basicity between Arg and Lys results in different dissociation patterns for singly charged Arg- and Lys-ending tryptic peptides. While one dominant protonation form (proton localized) exists for Arg-ending peptides, a heterogeneous population of different protonated forms or more facile interconversion of protonated forms (proton partially mobile) exists for Lys-ending peptides. Cleavage C-terminal to acidic residues dominates spectra from singly charged peptides that have a localized proton and cleavage N-terminal to Pro dominates those that have a mobile or partially mobile proton. When Pro is absent from peptides that have a mobile or partially mobile proton, cleavage at each peptide bond becomes much more prominent. Whether the above patterns can be found in b ions, y ions, or both depends on the location of the proton holder(s) in multiply protonated peptides. Enhanced cleavages C-terminal to branched aliphatic residues (Ile, Val, Leu) are observed in both b and y ions from peptides that have a mobile proton, as well as in y ions from peptides that have a partially mobile proton; enhanced cleavages N-terminal to these residues are observed in b ions from peptides that have a partially mobile proton. Statistical tools have been designed to visualize the fragmentation maps and measure the similarity between them. The pairwise cleavage patterns observed expand our knowledge of peptide gas-phase fragmentation behaviors and may be useful in algorithm development that employs improved models to predict fragment ion intensities. C1 Univ Arizona, Dept Chem, Tucson, AZ 85721 USA. Sci Applicat Int Corp, Tucson, AZ 85711 USA. Univ Pittsburgh, Dept Biostat, Pittsburgh, PA 15261 USA. Univ Pittsburgh, Dept Human Genet, Pittsburgh, PA 15261 USA. Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. RP Wysocki, VH (reprint author), Univ Arizona, Dept Chem, Tucson, AZ 85721 USA. EM vwysocki@email.arizona.edu RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU NCRR NIH HHS [P41 RR018522, RR018522]; NIGMS NIH HHS [R01 GM051387, R01 GM051387-10, R01GM 51387] NR 34 TC 147 Z9 147 U1 0 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD SEP 15 PY 2005 VL 77 IS 18 BP 5800 EP 5813 DI 10.1021/ac0480949 PG 14 WC Chemistry, Analytical SC Chemistry GA 964ZL UT WOS:000231919400004 PM 16159109 ER PT J AU Chan, JW Motton, D Rutledge, JC Keim, NL Huser, T AF Chan, JW Motton, D Rutledge, JC Keim, NL Huser, T TI Raman spectroscopic analysis of biochemical changes in individual triglyceride-rich lipoproteins in the pre- and postprandial state SO ANALYTICAL CHEMISTRY LA English DT Article ID CHAIN PACKING; INFRARED-SPECTROSCOPY; PHYSICAL BEHAVIOR; OPTICAL TWEEZERS; BIOLOGICAL CELLS; MANIPULATION; MICROSCOPY; MOLECULES; MEMBRANES; PROTEINS AB Individual triglyceride-rich lipoprotein (TGRL) particles derived from human volunteers are nondestructively analyzed by laser tweezers Raman microspectroscopy, and information on their composition and distribution is obtained. The Raman signature of single optically trapped very low-density lipoproteins (VLDL), a subclass of TGRL, which play an important role in cardiovascular disease, exhibits distinct peaks associated with molecular vibrations of fatty acids, proteins, lipids, and structural rear-rangements of lipids. Our analysis of pre- and postprandial VLDL exhibits the signature of biochemical changes in individual lipoprotein particles following the consumption of meals. Interaction of VLDL with endothelium leads to the breakdown of complex triacylglycerols and the formation of a highly ordered core of free saturated fatty acids in the particle. A particle distribution analysis reveals trends in the degree to which this process has occurred in particles at different times during the postprandial period. Differences in particle distributions based on the different ratios of polyunsaturated to saturated fats in the consumed meals are also easily discerned. Individual lipoprotein particles hydrolyzed in vitro through addition of lipoprotein lipase (LpL) exhibit strikingly similar changes in their Raman spectra. These results demonstrate the feasibility of monitoring the dynamics of lipid metabolism of individual TGRL particles as they interact with LpL in the endothelial cell wall using Raman spectroscopy. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Calif Davis, Dept Internal Med, Sch Med, Davis, CA 95616 USA. Univ Calif Davis, NSF, Ctr Biophoton Sci & Technol, Sacramento, CA 95817 USA. USDA, Western Human Nutr Res Ctr, Davis, CA 95616 USA. RP Chan, JW (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94550 USA. EM chan19@llnl.gov RI Huser, Thomas/H-1195-2012; Chan, James/J-3829-2014 OI Huser, Thomas/0000-0003-2348-7416; FU NHLBI NIH HHS [HL55667, HL71488] NR 34 TC 57 Z9 59 U1 1 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD SEP 15 PY 2005 VL 77 IS 18 BP 5870 EP 5876 DI 10.1021/ac050692f PG 7 WC Chemistry, Analytical SC Chemistry GA 964ZL UT WOS:000231919400011 PM 16159116 ER PT J AU Liu, GD Lin, YH AF Liu, GD Lin, YH TI Electrochemical sensor for organophosphate pesticides and nerve agents using zirconia nanoparticles as selective sorbents SO ANALYTICAL CHEMISTRY LA English DT Article ID AMPEROMETRIC BIOSENSOR; PARAOXON DETECTION; MULTILAYER FILMS; THIN-FILMS; ELECTRODE; GOLD; ACETYLCHOLINESTERASE; HYDROLASE; ADSORPTION; EXTRACTS AB An electrochemical sensor for detection of organophosphate (OP) pesticides and nerve agents using zirconia (ZrO2) nanoparticles as selective sorbents is presented. Zirconia nanoparticles were electrodynamically deposited onto the polycrystalline gold electrode by cyclic voltammetry. Because of the strong affinity of zirconia for the phosphoric group, nitroaromatic OPs strongly bind to the ZrO2 nanoparticle surface. The electrochemical characterization and anodic stripping voltammetric performance of bound OPs were evaluated using cyclic voltammetric and square-wave voltammetric (SWV) analysis. SWV was used to monitor the amount of bound OPs and provide simple, fast, and facile quantitative methods for nitroaromatic OP compounds. The sensor surface can be regenerated by successively running SVW scanning. Operational parameters, including the amount of nanoparticles, adsorption time, and pH of the reaction medium have been optimized. The stripping voltammetric response is highly linear over the 5-100 ng/mL (ppb) methyl parathion range examined (2-min adsorption), with a detection limit of 3 ng/mL and good precision (RSD = 5.3%, n = 10). The detection limit was improved to I ng/mL by using 10-min adsorption time. The promising stripping voltammetric performances open new opportunities for fast, simple, and sensitive analysis of OPs in environmental and biological samples. These findings can lead to a widespread use of electrochemical sensors to detect OP contaminates. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM yuehe.lin@pnl.gov RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 NR 35 TC 260 Z9 272 U1 5 U2 101 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD SEP 15 PY 2005 VL 77 IS 18 BP 5894 EP 5901 DI 10.1021/ac0507911 PG 8 WC Chemistry, Analytical SC Chemistry GA 964ZL UT WOS:000231919400014 PM 16159119 ER PT J AU Mysak, ER Wilson, KR Jimenez-Cruz, M Ahmed, M Baer, T AF Mysak, ER Wilson, KR Jimenez-Cruz, M Ahmed, M Baer, T TI Synchrotron radiation based aerosol time-of-flight mass spectrometry for organic constituents SO ANALYTICAL CHEMISTRY LA English DT Article ID GENERATING PARTICLE BEAMS; LASER DESORPTION/IONIZATION; CONTROLLED DIMENSIONS; AERODYNAMIC LENSES; NOZZLE EXPANSIONS; ONLINE ANALYSIS; AIR-POLLUTION; ALPHA-PINENE; PARTICULATE; IONIZATION AB A synchrotron radiation based aerosol time-of-flight mass spectrometer using tunable vacuum-ultraviolet (VUV) fight is described for real-time analysis of organic compounds in ultrafine and large aerosol particles. Particles are sampled from atmospheric pressure and are focused through an aerodynamic lens assembly into the mass spectrometer. As the particles enter the source region, they impinge on a cartridge heater and are vaporized. The particle vapor expands back into the source region and is softly ionized with tunable, quasicontinuous VUV light generated with synchrotron radiation. The radiation can be tuned to an energy close to the ionization energy of the sample molecules, thus minimizing the complications resulting from ion fragmentation. Photoionization efficiency scans (photon scans) can be readily collected, which permit measurement of the molecule's ionization energy and fragmentation onsets. Four high molecular weight, low vapor pressure organic compounds of importance in atmospheric aerosols are analyzed and their ionization energies measured with uncertainties of +/- 60 meV. These are oleic acid (8.68 eV), linoleic acid (8.52 eV), linolenic acid (8.49 eV), and cholesterol (8.69 eV). C1 Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA. Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Baer, T (reprint author), Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA. EM baer@unc.edu RI Ahmed, Musahid/A-8733-2009 NR 57 TC 55 Z9 58 U1 1 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD SEP 15 PY 2005 VL 77 IS 18 BP 5953 EP 5960 DI 10.1021/ac050440e PG 8 WC Chemistry, Analytical SC Chemistry GA 964ZL UT WOS:000231919400022 PM 16159127 ER PT J AU Krauss, SW Lo, AJ Short, SA Koury, MJ Mohandas, N Chasis, JA AF Krauss, SW Lo, AJ Short, SA Koury, MJ Mohandas, N Chasis, JA TI Nuclear substructure reorganization during late-stage erythropoiesis is selective and does not involve caspase cleavage of major nuclear substructural proteins SO BLOOD LA English DT Article ID PRE-MESSENGER-RNA; BCL-X-L; TERMINAL DIFFERENTIATION; ERYTHROID-DIFFERENTIATION; BONE MARROW; CELL-DEATH; APOPTOSIS; ERYTHROBLASTS; EXPRESSION; MATURATION AB Enucleation, a rare feature of mammalian differentiation, occurs in 3 cell types: erythroblasts, lens epithelium, and keratinocytes. Previous investigations suggest that caspase activation functions in lens epithelial and keratinocyte enucleation, as well as in early erythropoiesis encompassing erythroid burst-forming unit (BFU-E) differentiation to proerythroblast. To determine whether caspase activation contributes to later erythropoiesis and whether nuclear substructures other than chromatin reorganize, we analyzed distributions of nuclear subcompartment proteins and assayed for caspase-induced cleavage of subcompartmental target proteins in mouse erythroblasts. We found that patterns of lamin B in the filamentous network interacting with both the nuclear envelope and DNA, nuclear matrix protein NuMA (Nuclear mitotic apparatus), and splicing factors Sm and SC35 persisted during nuclear condensation, consistent with effective transcription of genes expressed late in differentiation. Thus, nuclear reorganization prior to enucleation is selective, allowing maintenance of critical transcriptional processes independent of extensive chromosomal reorganization. Consistent with these data, we found no evidence for caspase-induced cleavage of major nuclear subcompartment proteins during late erythropoiesis, in contrast to what has been observed in early erythropoiesis and in lens epithelial and keratinocyte differentiation. These findings imply that nuclear condensation and extrusion during terminal erythroid differentiation involve novel mechanisms that do not entail major activation of apoptotic machinery. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. Vanderbilt Univ, VA Tennessee Valley Healthcare Syst, Nashville, TN USA. New York Blood Ctr, New York, NY 10021 USA. RP Chasis, JA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Bldg 74,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM jachasis@lbl.gov FU NHLBI NIH HHS [HL79565]; NIDDK NIH HHS [DK059079, DK32094, DK52267] NR 45 TC 32 Z9 32 U1 0 U2 2 PU AMER SOC HEMATOLOGY PI WASHINGTON PA 1900 M STREET. NW SUITE 200, WASHINGTON, DC 20036 USA SN 0006-4971 J9 BLOOD JI Blood PD SEP 15 PY 2005 VL 106 IS 6 BP 2200 EP 2205 DI 10.1182/blood-2005-04-1357 PG 6 WC Hematology SC Hematology GA 963PX UT WOS:000231817400055 PM 15933051 ER PT J AU Mahan, AH Parilla, PA Jones, KM Dillon, AC AF Mahan, AH Parilla, PA Jones, KM Dillon, AC TI Hot-wire chemical vapor deposition of crystalline tungsten oxide nanoparticles at high density SO CHEMICAL PHYSICS LETTERS LA English DT Article ID NANOTUBES; FILMS AB Tungsten oxide nanostructured rods, particles and occasionally tubes are deposited by heating a tungsten filament in a partial oxygen atmosphere. Transmission electron microscopy (TEM) reveals the nanorods have similar to 10-50 nm diameters and similar to 50-200 nm lengths. The nanoparticle size ranges from similar to 10 to 200 nm. The nanostructures are generally crystalline and predominantly consist of the WO3 monoclinic (I) gamma-phase with some monoclinic (II) epsilon-phase and/or tungsten metal present. Under optimal synthesis conditions, only crystalline nanostructures with a largest dimension of similar to 200 nm are observed with TEM analyses. Further characterization conclusively shows that these 'optimal' nanostructures are comprised of only the WO3 monoclinic (I) gamma-phase. (c) 2005 Elsevier B.V. All rights reserved. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Dillon, AC (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM anne_dillon@nrel.gov NR 14 TC 52 Z9 53 U1 2 U2 18 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 SEP 15 PY 2005 VL 413 IS 1-3 BP 88 EP 94 DI 10.1016/j.cplett.2005.07.037 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 965DD UT WOS:000231929400017 ER PT J AU Nishiizumi, K Caffee, MW Finkel, RC Brimhall, G Mote, T AF Nishiizumi, K Caffee, MW Finkel, RC Brimhall, G Mote, T TI Remnants of a fossil alluvial fan landscape of Miocene age in the Atacama Desert of northern Chile using cosmogenic nuclide exposure age dating SO EARTH AND PLANETARY SCIENCE LETTERS LA English DT Article DE Atacama Desert; Atacama gravel; complex exposure age; cosmogenic nuclide; erosion rate; surface exposure age ID AR-40/AR-39 ANALYSIS; EROSION HISTORY; EL SALVADOR; BE-10; QUARTZ; ROCKS; MINERALIZATION; ENRICHMENT; ALUNITE; OXIDES AB We have used cosmogenic nuclides to estimate limits on the surface exposure durations and erosion rates of alluvial fans and bedrock surfaces in the Atacama Desert in Chile. The oldest landforms we studied are extensive alluvial fans referred to as "Atacama gravels". With the exception of samples collected in Antarctica, the cobbles collected on these alluvial surfaces have the lowest erosion rates of any samples, as determined by cosmogenic nuclides, analyzed to date. The oldest cobble has a model surface exposure age of 9 Myr, based on combined measurements of cosmogenic Be-10, Al-26, and Ne-21 concentrations. Cobbles from the alluvial fans are eroding slower than the surrounding steep mountainous bedrock surfaces. Maximum erosion rates for cobbles on alluvial surfaces are uniformly < 0.1 m/Myr. The survival of these gravels, specifically, and more generally, the stability of landform features in this geographic area is made possible by the attaimnent of hyperarid conditions in the Atacama Desert resulting from global climatic cooling about 15 Myr ago combined with the rain shadow effect caused by uplift of the Central Andes. The landform features observed presently in the Atacama Desert are remarkably stable and, despite the inevitable erosion that is detectable using cosmogenic nuclides, undoubtedly bear considerable resemblance to conditions as they existed in the Miocene. Over geologic time, the Atacama landscape is evolving in such a manner as to erode the higher bedrock ridges relative to the more stable, but stratigraphically lower depositional surfaces through which elastic detritus now travels occasionally along the floors of incised drainage systems leaving the older permeable alluvial fan surfaces largely intact as widespread remnants of a Miocene fossil landscape. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Geosci & Environm Technol Div, Livermore, CA 94550 USA. Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Nishiizumi, K (reprint author), Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. EM kuni@ssl.berkely.edu RI Caffee, Marc/K-7025-2015 OI Caffee, Marc/0000-0002-6846-8967 NR 25 TC 59 Z9 63 U1 0 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0012-821X J9 EARTH PLANET SC LETT JI Earth Planet. Sci. Lett. PD SEP 15 PY 2005 VL 237 IS 3-4 BP 499 EP 507 DI 10.1016/j.epsl.2005.05.032 PG 9 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 968IJ UT WOS:000232155200012 ER PT J AU Karner, SL Chester, FM Chester, JS AF Karner, SL Chester, FM Chester, JS TI Towards a general state-variable constitutive relation to describe granular deformation SO EARTH AND PLANETARY SCIENCE LETTERS LA English DT Article DE friction; soil mechanics; constitutive relations; experiments; granular media ID RATE-DEPENDENT FRICTION; SIMULATED FAULT GOUGE; ROCK FRICTION; POROUS SANDSTONES; PHYSICAL ANALYSIS; SLIP INSTABILITY; NORMAL STRESS; QUARTZ SAND; SHEAR LOAD; COMPACTION AB Triaxial-compression experiments were performed on cylindrical quartz sand-packs to explore the universality of state-variable constitutive relations used to describe granular deformation. Samples were subjected to relaxation-creep experiments similar to slide-hold-slide tests from friction studies. For relaxation-creep tests, a constant rate of axial shortening was interrupted by time intervals for which the applied shortening rate was set to zero. During holds, loadforce decayed exponentially with time and the total stress-relaxation scales with the logarithm of hold time, consistent with friction tests. On reloading after holds, stress monotonically increases to the pre-hold steady-state levels without displaying the restrengthening of static friction often observed from shear tests on granular layers. We find that the existing rate- and state-variable friction laws can model the transient strength behavior during relaxation creep and subsequent reloading by using simple assumptions about the deformation of cylindrical sand-packs in triaxial compression. By analogy with the rate- and state-friction constitutive relations, we propose a generalized state-variable expression for granular deformation in simple and pure shear. Although additional experiments under a variety of load boundary geometries and load paths will be needed, such a general constitutive relation may ultimately describe granular deformation under a broad range of conditions (e.g., for large variations in loading rate, shear stress, normal stress, mean stress) and may be applicable to a variety of research problems that involve deformation within granular media. (c) 2005 Elsevier B.V. All rights reserved. C1 Texas A&M Univ, Dept Geol & Geophys, Ctr Tectonophys, College Stn, TX USA. RP Karner, SL (reprint author), Idaho Natl Lab, POB 1625,MS 2107, Idaho Falls, ID 83415 USA. EM Stephen.Karner@inl.gov NR 55 TC 8 Z9 8 U1 2 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0012-821X J9 EARTH PLANET SC LETT JI Earth Planet. Sci. Lett. PD SEP 15 PY 2005 VL 237 IS 3-4 BP 940 EP 950 DI 10.1016/j.epsl.2005.06.056 PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 968IJ UT WOS:000232155200041 ER PT J AU Tokunaga, TK Wan, JM Pena, J Brodie, EL Firestone, MK Hazen, TC Sutton, SR Lanzirotti, A Newville, M AF Tokunaga, TK Wan, JM Pena, J Brodie, EL Firestone, MK Hazen, TC Sutton, SR Lanzirotti, A Newville, M TI Uranium reduction in sediments under diffusion-limited transport of organic carbon SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID IN-SITU BIOREMEDIATION; CONTAMINATED GROUNDWATER; MICROBIAL REDUCTION; U(VI) REDUCTION; SOILS; SORPTION; AQUIFER; NITRATE; WATER; MECHANISMS AB Costly disposal of uranium (U) contaminated sediments is motivating research on in situ U(VI) reduction to insoluble U(IV) via directly or indirectly microbially mediated pathways. Delivery of organic carbon (OC) into sediments for stimulating U bioreduction is diffusion-limited in less permeable regions of the subsurface. To study OC-based U reduction in diffusion-limited regions, one slightly acidic and another calcareous sediment were treated with uranyl nitrate, packed into columns, then hydrostatically contacted with tryptic soy broth solutions. Redox potentials, U oxidation state, and microbial communities were well correlated. At average supply rates of 0.9 mu mol OC (g sediment)(-1) day(-1), the U reduction zone extended to only about 35-45 mm into sediments. The underlying unreduced U(VI) zone persisted over 600 days because the supply of OC was diffusion-limited and metabolized within a short distance. These results also suggest that low U concentrations in groundwater samples from OC-treated sediments are not necessarily indicative of pervasive U reduction because interior and exterior regions of such sediment blocks can contain primarily U(VI) and U(IV) respectively. C1 Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. Univ Chicago, Chicago, IL 60637 USA. RP Tokunaga, TK (reprint author), Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM tktokunaga@lbl.gov RI Tokunaga, Tetsu/H-2790-2014; Wan, Jiamin/H-6656-2014; Brodie, Eoin/A-7853-2008; Hazen, Terry/C-1076-2012 OI Tokunaga, Tetsu/0000-0003-0861-6128; Brodie, Eoin/0000-0002-8453-8435; Hazen, Terry/0000-0002-2536-9993 NR 36 TC 13 Z9 14 U1 0 U2 11 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 SEP 15 PY 2005 VL 39 IS 18 BP 7077 EP 7083 DI 10.1021/es050221a PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 965HR UT WOS:000231941700026 PM 16201631 ER PT J AU Yang, JK Barnett, MO Zhuang, JL Fendorf, SE Jardine, PM AF Yang, JK Barnett, MO Zhuang, JL Fendorf, SE Jardine, PM TI Adsorption, oxidation, and bioaccessibility of As(III) in soils SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID ARSENIC BIOAVAILABILITY; RISK-ASSESSMENT; IRON; LEAD; SORPTION; CHEMISTRY; OXYHYDROXIDES; SPECIATION; STABILITY; MINERALS AB At As-contaminated sites, where the ingestion of soil by children is typically the critical human-health exposure pathway, information on the bioavailability of soil-bound As is often limited. The influence of various soil physical and chemical properties (iron and manganese oxides, pH, cation exchange capacity, total inorganic and organic carbon,and particle size) on As(Ill) adsorption, sequestration, bioaccessibility (as a surrogate for oral bioavailability), and oxidation was investigated in 36 well-characterized soils by use of a physiologically based extraction test (PBET). These results were compared to an earlier published study with As(V) on the same set of soils. The properties of the soils were able to explain > 80% of the variability in the adsorption and sequestration (as measured by the reduction in bioaccessibility over time) of As(Ill) in these soils. The initial bioaccessibility of As(Ill) was significantly higher than the initial bioaccessibility of As(V) on the, same set of soils. However, over a 6-month period of aerobic aging, a significant portion of the solid-phase As(Ill) on these soils was oxidized to As(V), decreasing its bioaccessibility markedly. A multivariable linear regression model previously developed to predict the steady-state bioaccessibility of As(V) in soils was able to predict the bioaccessibility in As(III)-spiked soils within a root-mean-square error (RMSE) of 16.8%. Generally, soils having a higher iron oxide content and lower soil pH exhibited lower bioaccessibility. This model was also able to predict the in vivo bioavailability of As in contaminated soils previously used in an independent juvenile swine dosing trial within an RMSE of 15.5%, providing a greatly improved yet conservative estimate of bioavailability relative to the typical default assumption of 100%. However, the model was not able to accurately predict the bioavailability of As in a different set of contaminated soils previously used in an independent Cebus monkey dosing trial, consistently overpredicting the bioavailability, resulting in an RMSE of 42.7%. This model can be used to provide an initial estimate of As bioavailability in soil to aid in screening sites and justifying expensive site-specific animal feeding studies. Further, as the model is based on major soil properties, the resulting estimates are valid as long as the major soil properties do not change, thus providing some confidence in the long-term applicability of the estimates. C1 Auburn Univ, Dept Civil Engn, Harbert Engn Ctr 238, Auburn, AL 36849 USA. Stanford Univ, Dept Geog & Environm Sci, Stanford, CA 94305 USA. Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Barnett, MO (reprint author), Auburn Univ, Dept Civil Engn, Harbert Engn Ctr 238, Auburn, AL 36849 USA. EM barnettm@eng.auburn.edu NR 43 TC 44 Z9 45 U1 6 U2 43 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 SEP 15 PY 2005 VL 39 IS 18 BP 7102 EP 7110 DI 10.1021/es0481474 PG 9 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 965HR UT WOS:000231941700030 PM 16201635 ER PT J AU Riestenberg, DE Tsouris, C Brewer, PG Peltzer, ET Walz, P Chow, AC Adams, EE AF Riestenberg, DE Tsouris, C Brewer, PG Peltzer, ET Walz, P Chow, AC Adams, EE TI Field studies on the formation of sinking CO2 particles for ocean carbon sequestration: Effects of injector geometry on particle density and dissolution rate and model simulation of plume behavior SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID IN-SITU EXPERIMENTS; HYDRATE FORMATION; DEEP-OCEAN; DEHYDRATION KINETICS; DIOXIDE; COMPOSITE; RELEASE; WATER; DISPOSAL; SEAWATER AB We have carried out the second phase of field studies to determine the effectiveness of a coflow injector which mixes liquid CO2 and ambient seawater to produce a hydrate slurry as a possible CO2 delivery method for ocean carbon sequestration. The experiments were carried out at ocean depths of 1000-1300 m in Monterey Bay, CA, using a larger injector than that initially employed under remotely operated vehicle control and imaging of the product. Solidlike composite particles comprised of water, solid CO2 hydrate, and liquid CO2 were produced in both studies. In the recent injections, the particles consistently sank at rates of similar to 5 cm s(-1). The density of the sinking particles suggested that similar to 40% of the injected CO2 was converted to hydrate, while image analysis of the particle shrinking rate indicated a CO2 dissolution rate of 0.76-1.29 mu mol cm(-2) s(-1). Plume modeling of the hydrate composite particles suggests that while discrete particles may sink 1070 m, injections with CO2 mass fluxes of 1-1000 kg s(-1) would result in sinking plumes 120-1000 m below the injection point. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Monterey Bay Aquarium Res Inst, Moss Landing, CA 95039 USA. MIT, Dept Civil & Environm Engn, Cambridge, MA 02139 USA. RP Adams, EE (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM tsourisc@ornl.gov; brpe@mbari.org; eeadams@MIT.EDU RI Tsouris, Costas/C-2544-2016; OI Tsouris, Costas/0000-0002-0522-1027; Peltzer, Edward/0000-0003-2821-3553 NR 31 TC 17 Z9 17 U1 2 U2 14 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 SEP 15 PY 2005 VL 39 IS 18 BP 7287 EP 7293 DI 10.1021/es050125+ PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 965HR UT WOS:000231941700055 PM 16201660 ER PT J AU Mattigod, SV Fryxell, GE Alford, K Gilmore, T Parker, K Serne, J Engelhard, M AF Mattigod, SV Fryxell, GE Alford, K Gilmore, T Parker, K Serne, J Engelhard, M TI Functionalized TiO2 nanoparticles for use for in situ anion immobilization SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID SELF-ASSEMBLED MONOLAYERS; MODIFIED MESOPOROUS SILICA; TIO2(110) SURFACE; ADSORPTION; SUPPORTS; REMOVAL; ARSENATE; MERCURY AB Anatase particles (40-60 nm) were coated with an organosilane monolayer terminated with an ethylenediamine (EDA) ligand. These functionalized nanoparticles (FNPs) were then treated with an aqueous solution of Cu(II) to create a cationic Cu-EDA complex bound to the nanoparticle surface. COO and EDA ligand incorporation were confirmed by X-ray photoelectron spectroscopy (XPS) analysis. The Cu(EDA)(2) FNP was then studied for its binding affinity for pertechnetate anion from a Hanford groundwater matrix. The Cu(EDA)(2) FNP was also evaluated for its injectability into a porous medium for possible application as a subsurface semipermeable reactive barrier. Injection was readily accomplished, and resulted in a highly uniform distribution of the FNP sorbent in the test column. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Fryxell, GE (reprint author), 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 25 TC 32 Z9 32 U1 1 U2 27 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 SEP 15 PY 2005 VL 39 IS 18 BP 7306 EP 7310 DI 10.1021/es0489821 PG 5 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 965HR UT WOS:000231941700058 PM 16201663 ER PT J AU Bennett, PV Cuomo, NL Paul, S Tafrov, ST Sutherland, BM AF Bennett, PV Cuomo, NL Paul, S Tafrov, ST Sutherland, BM TI Endogenous DNA damage clusters in human skin, 3-D model, and cultured skin cells SO FREE RADICAL BIOLOGY AND MEDICINE LA English DT Article DE endogenous DNA damage; DNA damage clusters; human skin; 3-D skin model; primary human cells; free radicals ID DOUBLE-STRAND BREAKS; AVERAGE LENGTH ANALYSIS; MAMMALIAN-CELLS; GEL-ELECTROPHORESIS; IONIZING-RADIATION; ENDONUCLEASE-III; REPAIR; CARCINOGENESIS; EXCISION; LESIONS AB Clustered damages-two or more oxidized bases, abasic sites, or strand breaks on opposing DNA strands within a few helical turns-are formed in DNA by ionizing radiation. Clusters are difficult for cells to repair and thus pose significant challenges to genomic integrity. Although endogenous clusters were found in some permanent human cell lines, it was not known if clusters accumulated in human tissues or primary cells. Using high-sensitivity gel electrophoresis, electronic imaging, and number average length analysis, we determined endogenous cluster levels in DNA from human skin, a 3-D skin model, and primary cultured skin cells. DNA from dermis and epidermis of human skin contained extremely low levels of endogenous clusters (a few per gigabase). However, cultured skin fibroblasts and keratinocytes-whether in monolayer cultures or in 3-D model skin cultures-accumulated oxidized pyrimidine, oxidized purine, and abasic clusters. The levels of endogenous clusters were decreased by growing cells in the presence of selenium or by increasing cellular levels of Fpg protein, presumably by increasing processing of clustered damages. These results imply that the levels of endogenous clusters can be affected by the cells' external environment and their ability to deal with DNA damage. Published by Elsevier Inc. C1 Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Brookhaven Natl Lab, Dept Biol, Bldg 463, Upton, NY 11973 USA. EM bms@bnl.gov FU NCI NIH HHS [R01 CA86897, R01 CA086897, R01 CA086897-04] NR 47 TC 29 Z9 29 U1 0 U2 1 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0891-5849 EI 1873-4596 J9 FREE RADICAL BIO MED JI Free Radic. Biol. Med. PD SEP 15 PY 2005 VL 39 IS 6 BP 832 EP 839 DI 10.1016/j.freeradbiomed.2005.05.008 PG 8 WC Biochemistry & Molecular Biology; Endocrinology & Metabolism SC Biochemistry & Molecular Biology; Endocrinology & Metabolism GA 960IJ UT WOS:000231583500013 PM 16109312 ER PT J AU Wang, K Keasling, JD Muller, SJ AF Wang, K Keasling, JD Muller, SJ TI Effects of the sequence and size of non-polar residues on self-assembly of amphiphilic peptides SO INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES LA English DT Article DE amphiphilic peptides; amyloid fibrils; protofilaments ID AMYLOID FIBRILS; SECONDARY STRUCTURE; CIRCULAR-DICHROISM; RESPONSIVE GELS; AMINO-ACIDS; PROTEINS; CONFORMATION; PERIODICITY; POLYMER; POLAR AB Peptides with alternating hydrophobic and polar amino acids have been shown to form stable P-sheet secondary structures and self-assemble into hydrogel-like matrices in the presence of physiological salt concentrations. We hypothesized that the sequence and steric size differences of non-polar residues can affect the balance of peptide intermolecular forces in solution that drive self-assembly. To test this hypothesis, we designed a library of artificial amphiphilic peptides based on the sequence (FEFEFKFK)(2) by substituting combinations of the non-polar residues glycine, alanine, valine, leucine and isoleucine for phenylalanine. Peptide structure and self-assembly were characterized using scanning electron microscopy, the Thioflavin T assay, transmission electron microscopy, X-ray fiber diffraction and circular dichroism spectroscopy. The sequence and steric size of non-polar residues are shown to cause variations in peptide secondary structures and create significant differences in the matrix morphology of self-assembled peptides. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Synth Biol Dept, Berkeley, CA 94720 USA. RP Muller, SJ (reprint author), Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. EM kai_wang@berkeley.edu; keasling@berkeley.edu; muller2@socrates.berkeley.edu RI Keasling, Jay/J-9162-2012 OI Keasling, Jay/0000-0003-4170-6088 NR 31 TC 34 Z9 34 U1 1 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0141-8130 J9 INT J BIOL MACROMOL JI Int. J. Biol. Macromol. PD SEP 15 PY 2005 VL 36 IS 4 BP 232 EP 240 DI 10.1016/j.ijbiomac.2005.06.006 PG 9 WC Biochemistry & Molecular Biology; Chemistry, Applied; Polymer Science SC Biochemistry & Molecular Biology; Chemistry; Polymer Science GA 962XF UT WOS:000231765900005 PM 16055181 ER PT J AU Bai, J Huang, X Dudley, M Wagner, B Davis, RF Wu, L Sutter, E Zhu, Y Skromme, BJ AF Bai, J Huang, X Dudley, M Wagner, B Davis, RF Wu, L Sutter, E Zhu, Y Skromme, BJ TI Intersecting basal plane and prismatic stacking fault structures and their formation mechanisms in GaN SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID MOLECULAR-BEAM EPITAXY; ELECTRON-MICROSCOPY; DOMAIN BOUNDARIES; THREADING DEFECTS; WURTZITE GAN; FILMS; GROWTH; SURFACE; NITRIDE; STEPS AB A systematic study of intersecting planar boundary structures observed in a GaN epifilm grown on a vicinal 6H-SiC substrate (offcut towards [1210]) with an AlN buffer is presented. These structures are shown to comprise stacking faults that fold back and forth from the basal plane [I-1 basal plane stacking faults (BSFs)] to the prismatic plane [prismatic stacking faults (PSFs)]. The PSFs, with fault vector 1/2 < 101 1 > nucleate at steps on the substrate surface as a consequence of the different stacking sequences exposed on either side of the step. Once nucleated, PSFs intersecting the vertical step risers in the AlN buffer and eventually in the GaN film are replicated during the predominantly step-flow growth and propagate into the growing crystal. As a consequence of the different growth rates experienced on either side of the intersection of a PSF with a vertical step riser, the PSF may be redirected onto an equivalent {1120} plane, leaving an I-1 BSF between the bottom of the redirected section of PSF and the top of that portion of the original PSF which was below the terrace. This leads to the formation of folded PSF/BSF fault structures which exhibit various configurations. Such folded stacking fault configurations form walls which enclose domains of different stacking sequence. Stair-rod dislocations (SRDs) are observed to form at the intersections of these various faults and the Burgers vectors of some of these are discussed. In some cases, reconstruction of these SRDs occurs through the formation of partner dislocations which serve to minimize the energy associated with the lattice disconnections located at the cores of the SRDs. (c) 2005 American Institute of Physics. C1 SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. Arizona State Univ, Dept Elect Engn, Tempe, AZ 85287 USA. Arizona State Univ, Ctr Solid State Elect Res, Engn Res Ctr, Tempe, AZ 85287 USA. RP Bai, J (reprint author), SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. EM michael.dudley@sunysb.edu RI Davis, Robert/A-9376-2011; Skromme, Brian/E-4333-2016 OI Davis, Robert/0000-0002-4437-0885; Skromme, Brian/0000-0002-1856-474X NR 31 TC 14 Z9 14 U1 2 U2 29 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 SEP 15 PY 2005 VL 98 IS 6 AR 063510 DI 10.1063/1.2039278 PG 9 WC Physics, Applied SC Physics GA 969HU UT WOS:000232226000016 ER PT J AU Bockmon, BS Pantoya, ML Son, SF Asay, BW Mang, JT AF Bockmon, BS Pantoya, ML Son, SF Asay, BW Mang, JT TI Combustion velocities and propagation mechanisms of metastable interstitial composites SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID PARTICLES; CONTACT; BINARY AB Combustion velocities were experimentally determined for nanocomposite thermite powders composed of aluminum (Al) fuel and molybdenum trioxide (MoO3) oxidizer under well-confined conditions. Pressures were also measured to provide detailed information about the reaction mechanism. Samples of three different fuel particle sizes (44, 80, and 121 nm) were analyzed to determine the influence of particle size on combustion velocity. Bulk powder density was varied from approximately 5% to 10% of the theoretical maximum density (TMD). The combustion velocities ranged from approximately 600 to 1000 m/s. Results indicate that combustion velocities increase with decreasing particle size. Pressure measurements indicate that strong convective mechanisms are integral in flame propagation. (c) 2005 American Institute of Physics. C1 Texas Tech Univ, Dept Engn Mech, Lubbock, TX 79409 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Pantoya, ML (reprint author), Texas Tech Univ, Dept Engn Mech, Lubbock, TX 79409 USA. EM michelle.pantoya@ttu.edu OI Son, Steven/0000-0001-7498-2922 NR 15 TC 142 Z9 147 U1 2 U2 50 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 SEP 15 PY 2005 VL 98 IS 6 AR 064903 DI 10.1063/1.2058175 PG 7 WC Physics, Applied SC Physics GA 969HU UT WOS:000232226000086 ER PT J AU Metzger, WK Gloeckler, M AF Metzger, WK Gloeckler, M TI The impact of charged grain boundaries on thin-film solar cells and characterization SO JOURNAL OF APPLIED PHYSICS LA English DT Article DE CIS; CIGS; grain boundary; solar cell; device model ID POLYCRYSTALLINE SILICON; PHOTOVOLTAIC DEVICES; CADMIUM TELLURIDE; EFFICIENCY; PERFORMANCE; CUINSE2; RECOMBINATION; SEMICONDUCTOR; SIMULATION; REGIONS AB We use two-dimensional computer simulations to examine how charged columnar grain boundaries (GBs) affect transport, recombination, characterization, and performance in polycrystalline Cu(In,Ga)Se-2 solar cells. Although the simulations show that charged GBs can increase photocurrent by forming minority-carrier collection channels, this generally occurs at the expense of overall efficiency. Carrier dynamics induced by the GBs significantly alter time-resolved photoluminescence, near-field scanning optical microscopy, electron-beam-induced current microscopy, and quantum efficiency spectra. Consequently, these experiments can place bounds on the role and strength of GB charge in polycrystalline materials. Simulations of these experiments indicate that GB charge sufficient to significantly increase photocurrent collection is generally inconsistent with the actual observations for Cu(In,Ga)Se-2 solar cells. (c) 2005 American Institute of Physics. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. Colorado State Univ, Dept Phys, Ft Collins, CO 80523 USA. RP Metzger, WK (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM wyatt_metzger@nrel.gov NR 51 TC 63 Z9 63 U1 1 U2 47 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 SEP 15 PY 2005 VL 98 IS 6 AR 063701 DI 10.1063/1.2042530 PG 10 WC Physics, Applied SC Physics GA 969HU UT WOS:000232226000039 ER PT J AU Rae, PJ Brown, EN Clements, BE Dattelbaum, DM AF Rae, PJ Brown, EN Clements, BE Dattelbaum, DM TI Pressure-induced phase change in poly(tetrafluoroethylene) at modest impact velocities SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID FRACTURE-TOUGHNESS; CRYSTAL-STRUCTURE; POLYTETRAFLUOROETHYLENE TEFLON; TAYLOR IMPACT; VOID GROWTH; PTFE; RAMAN; POLYCHLOROTRIFLUOROETHYLENE; SPECTROSCOPY; TEMPERATURE AB Although poly(tetrafluoroethylene) (PTFE) is an unusually ductile polymer, it undergoes an abrupt ductile-brittle transition at modest impact velocities. No previous explanation for this behavior has been found after an extensive literature search. In this paper, we examine the role of a pressure-induced phase transition in PTFE in the dynamic failure of Taylor cylinder samples. There is a known phase transition in PTFE with a marked decrease in volume and compressibility that occurs at 0.5-0.65 GPa at 21 degrees C, with the transition pressure inversely related to temperature. Varying the temperature of the samples in the experiment revealed that the phase transition is probably involved in sample failure because the ductile/brittle transition velocity increased for decreasing temperature, despite the material fracture toughness decreasing. Additionally, Taylor tests were carried out on samples of poly(chlorotrifluoroethylene) PCTFE to investigate the behavior of a similar material to PTFE but without a pressure-induced phase transition. PCTFE did not exhibit an abrupt ductile to brittle transition. (c) 2005 American Institute of Physics. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Rae, PJ (reprint author), Los Alamos Natl Lab, MS-G755,POB 1663,MST-8, Los Alamos, NM 87545 USA. EM prae@lanl.gov OI Brown, Eric/0000-0002-6812-7820 NR 36 TC 26 Z9 26 U1 1 U2 11 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD SEP 15 PY 2005 VL 98 IS 6 AR 063521 DI 10.1063/1.2041845 PG 8 WC Physics, Applied SC Physics GA 969HU UT WOS:000232226000027 ER PT J AU Yu, MH Hattrick-Simpers, J Takeuchi, I Li, J Wang, ZL Liu, JP Lofland, SE Tyagi, S Freeland, JW Giubertoni, D Bersani, M Anderle, M AF Yu, MH Hattrick-Simpers, J Takeuchi, I Li, J Wang, ZL Liu, JP Lofland, SE Tyagi, S Freeland, JW Giubertoni, D Bersani, M Anderle, M TI Interphase exchange coupling in Fe/Sm-Co bilayers with gradient Fe thickness SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID PERMANENT-MAGNETS AB We have fabricated Fe/Sm-Co bilayers with gradient Fe thicknesses in order to systematically study the dependence of exchange coupling on the thickness of the Fe layer. The Fe layer was deposited at two different temperatures (150 and 300 degrees C) to study the effect of deposition temperature on the exchange coupling. Magneto-optical Kerr effect and x-ray magnetic circular dichroism (XMCD) have been employed as nondestructive rapid characterization tools to map the magnetic properties of the gradient samples. Systematic enhancement in exchange coupling between the soft layer and the hard layer is observed as the soft layer thickness is decreased. Separate exchange couplings of the Fe layer with Co and Sm in the hard layer are revealed through measuring the element-specific hysteresis curves using XMCD. The single-phase-like magnetization reversal critical thickness increases from 12 nm for Fe deposited at 150 degrees C to 24 nm for Fe deposited at 300 degrees C, indicating an important role of the state of the interface in the exchange coupling. (c) 2005 American Institute of Physics. C1 Univ Texas, Dept Phys, Arlington, TX 76019 USA. Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. Univ Maryland, Ctr Superconduct Res, College Pk, MD 20742 USA. Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. Rowan Univ, Dept Phys, Glassboro, NJ 08028 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. IRST, ITC, Ctr Ric Sci & Tecnol, I-38050 Trento, Italy. RP Yu, MH (reprint author), Univ Texas, Dept Phys, POB 19059, Arlington, TX 76019 USA. EM myul@uno.edu RI Wang, Zhong Lin/E-2176-2011 OI Wang, Zhong Lin/0000-0002-5530-0380 NR 12 TC 14 Z9 19 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 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD SEP 15 PY 2005 VL 98 IS 6 AR 063908 DI 10.1063/1.2042529 PG 4 WC Physics, Applied SC Physics GA 969HU UT WOS:000232226000059 ER PT J AU Cao, ZJ Balasubramanian, K AF Cao, ZJ Balasubramanian, K TI Theoretical studies of UO2(H2O)(n)(2+),NpO2(H2O)(n)(+), and PuO2(H2O)(n)(2+) complexes (n=4-6) in aqueous solution and gas phase SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID RELATIVISTIC EFFECTIVE POTENTIALS; SPIN-ORBIT OPERATORS; ANISOTROPIC DIELECTRICS; HYDROLYSIS PRODUCTS; URANYL-SILICATE; WATER EXCHANGE; DENSITY; HYDRATION; SOLVATION; PLUTONYL AB Extensive ab initio calculations both in gas phase and solution have been carried out to study the equilibrium structure, vibrational frequencies, and bonding characteristics of various actinyl (UO22+,NpO2+, and PuO22+) and their hydrated forms, AnO(2)(H2O)(n)(z+) (n=4, 5, and 6). Bulk solvent effects were studied using a continuum method. The geometries were fully optimized at the coupled-cluster singles + doubles (CCSD), density-functional theory (DFT), and Moller-Plesset (MP2) level of theories. In addition vibrational frequencies have been obtained at the CCSD as well as MP2/DFT levels. The results show that both the short-range and long-range solvent effects are important. The combined discrete-continuum model, in which the ionic solute and the solvent molecules in the first and second solvation shells are treated quantum mechanically while the solvent is simulated by a continuum model, can predict accurately the bonding characteristics. Moreover, our values of solvation free energies suggest that five- and six-coordinations are equally preferred for UO22+, and five-coordinated species are preferred for NpO2+ and PuO22+. On the basis of combined quantum-chemical and continuum treatments of the hydrated complexes, we are able to determine the optimal cavity radii for the solvation models. The coupled-cluster computations with large basis sets were employed for the vibrational spectra and equilibrium geometries both of which compare quite favorably with experiment. Our most accurate computations reveal that both five- and six-coordination complexes are important for these species. (c) 2005 American Institute of Physics. C1 Univ Calif Davis, Inst Data Anal & Visualizat, Livermore, CA 94550 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Calif Berkeley, Glenn T Seaborg Ctr, Berkeley, CA 94720 USA. RP Cao, ZJ (reprint author), Univ Calif Davis, Inst Data Anal & Visualizat, Livermore, CA 94550 USA. EM kbala@ucdavis.edu RI Cao, Zhiji/A-5957-2010 NR 50 TC 48 Z9 48 U1 1 U2 31 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 SEP 15 PY 2005 VL 123 IS 11 AR 114309 DI 10.1063/1.2018754 PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 966PT UT WOS:000232033800020 PM 16392561 ER PT J AU Cho, MH Fleming, GR AF Cho, MH Fleming, GR TI The integrated photon echo and solvation dynamics. II. Peak shifts and two-dimensional photon echo of a coupled chromophore system SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID PHOTOSYNTHETIC ANTENNA COMPLEXES; NONLINEAR-OPTICAL RESPONSE; ENERGY-TRANSFER; ELECTRONIC SPECTROSCOPY; FEMTOSECOND SPECTROSCOPY; MODEL; PROBE; DENSITY AB A theoretical description of one- and two-color photon echo peak shifts (PEPS) and two-dimensional (2D) photon echo spectrum (PES) of a coupled chromophore system are presented. The effects of population relaxation in the one-exciton states on both the PEPS and the 2D PES are investigated. For values of time T shorter than the population relaxation time, a finite two-color peak shift magnitude and nonzero cross peaks in the 2D PES provide evidence of electronic coupling between the chromophores. These two distinct observables, i.e., PEPS and off-diagonal peaks, both originate from the electronic coupling. However, it is shown that the PEPS and 2D PES methods can provide complementary information on the structure-dependent nonlinear optical responses of coupled chromophore systems. (c) 2005 American Institute of Physics. C1 Korea Univ, Dept Chem, Div Chem, Seoul 136701, South Korea. Korea Univ, Ctr Multidisciplinary Spect, Div Chem, Seoul 136701, South Korea. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Cho, MH (reprint author), Korea Univ, Dept Chem, Div Chem, Seoul 136701, South Korea. NR 32 TC 45 Z9 45 U1 1 U2 11 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD SEP 15 PY 2005 VL 123 IS 11 AR 114506 DI 10.1063/1.1955444 PG 18 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 966PT UT WOS:000232033800031 PM 16392572 ER PT J AU Metz, RB Nicolas, C Ahmed, M Leone, SR AF Metz, RB Nicolas, C Ahmed, M Leone, SR TI Direct determination of the ionization energies of FeO and CuO with VUV radiation SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID NEUTRAL CLUSTER DISTRIBUTION; SINGLE-PHOTON IONIZATION; TRANSITION-METAL OXIDES; LYING ELECTRONIC STATES; TO-METHANOL CONVERSION; GAS-PHASE; COPPER-OXIDE; BIOLOGICAL OXIDATION; ROTATIONAL ANALYSIS; CRYSTAL-STRUCTURE AB Photoionization efficiency curves were measured for gas-phase FeO and CuO using tunable vacuum-ultraviolet radiation at the Advanced Light Source. The molecules are prepared using laser ablation of a metal-oxide powder in a novel high-repetition-rate source and are thermally moderated in a supersonic expansion. These measurements provide the first directly measured ionization energy for CuO, IE(CuO)=9.41 +/- 0.01 eV. The direct measurement also gives a greatly improved ionization energy for FeO, IE(FeO)=8.56 +/- 0.01 eV. The ionization energy connects the dissociation energies of the neutral and cation, leading to a refined bond strength for the FeO cation: D-0(Fe+-O)=3.52 +/- 0.02 eV. A dramatic increase in the photoionization cross section at energies of 0.36 eV above the threshold ionization energy is assigned to autoionization and direct ionization involving one or more low-lying quartet states of FeO+. The interaction between the sextet ground state and low-lying quartet states of FeO+ is key to understanding the oxidation of hydrogen and methane by FeO+, and these experiments provide the first experimental observation of the low-lying quartet states of FeO+. (c) 2005 American Institute of Physics. C1 Univ Massachusetts, Dept Chem, Amherst, MA 01003 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Phys, Berkeley, CA 94720 USA. RP Metz, RB (reprint author), Univ Massachusetts, Dept Chem, Amherst, MA 01003 USA. EM rbmetz@chemistry.umass.edu RI Ahmed, Musahid/A-8733-2009; Metz, Ricardo/E-8856-2010; OI Metz, Ricardo/0000-0003-1933-058X NR 62 TC 36 Z9 36 U1 3 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 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD SEP 15 PY 2005 VL 123 IS 11 AR 114313 DI 10.1063/1.2032947 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 966PT UT WOS:000232033800024 PM 16392565 ER PT J AU Pettigrew, MF Resat, H AF Pettigrew, MF Resat, H TI Modeling signal transduction networks: A comparison of two stochastic kinetic simulation algorithms SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID CHEMICALLY REACTING SYSTEMS; GROWTH-FACTOR RECEPTOR; TRAFFICKING AB Computational efficiency of stochastic kinetic algorithms depend on factors such as the overall species population, the total number of reactions, and the average number of nodal interactions or connectivity in a network. These size measures of the network model can have a significant impact on computational efficiency. In this study, two scalable biological networks are used to compare the size scaling efficiencies of two popular and conceptually distinct stochastic kinetic simulation algorithms-the random substrate method of Firth and Bray (FB), and the Gillespie algorithm as implemented using the Gibson-Bruck method (GGB). The arithmetic computational efficiencies of these two algorithms, respectively, scale with the square of the total species population and the logarithm of the total number of active reactions. The two scalable models considered are the size scalable model (SSM), a four compartment reaction model for a signal transduction network involving receptors with single phosphorylation binding sites, and the variable connectivity model (VCM), a single compartment model where receptors possess multiple phosphorylation binding sites. The SSM has fixed species connectivity while the connectivity between species in VCM increases with the number of phosphorylation sites. For SSM, we find that, as the total species population is increased over four orders of magnitude, the GGB algorithm performs significantly better than FB for all three SSM compartment models considered. In contrast, for VCM, we find that as the overall species population decreases while the number of phosphorylation sites increases (implying an increase in network linkage) there exists a crossover point where the computational demands of the GGB method exceed that of the FB. (c) 2005 American Institute of Physics. C1 Pacific NW Natl Lab, Computat Biol & Bioinformat Grp, Richland, WA 99352 USA. Univ Washington, Cell Syst Initiat, Dept Bioengn, Seattle, WA 98195 USA. RP Pettigrew, MF (reprint author), Pacific NW Natl Lab, Computat Biol & Bioinformat Grp, POB 999,MS,K7-90, Richland, WA 99352 USA. EM mpettigr@u.washington.edu; haluk.resat@pnl.gov NR 24 TC 10 Z9 11 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 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD SEP 15 PY 2005 VL 123 IS 11 AR 114707 DI 10.1063/1.2018641 PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 966PT UT WOS:000232033800042 PM 16392583 ER PT J AU Subotnik, JE Dutoi, AD Head-Gordon, M AF Subotnik, JE Dutoi, AD Head-Gordon, M TI Fast localized orthonormal virtual orbitals which depend smoothly on nuclear coordinates SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MOLECULAR ELECTRONIC WAVEFUNCTIONS; POLARIZED ATOMIC ORBITALS; MINIMAL BASIS-SETS; POPULATION ANALYSIS; OCCUPATION NUMBERS; WAVE-FUNCTIONS; PERTURBATION-THEORY; CONSTRUCTION; SYSTEMS; MP2 AB We present here an algorithm for computing stable, well-defined localized orthonormal virtual orbitals which depend smoothly on nuclear coordinates. The algorithm is very fast, limited only by diagonalization of two matrices with dimension the size of the number of virtual orbitals. Furthermore, we require no more than quadratic (in the number of electrons) storage. The basic premise behind our algorithm is that one can decompose any given atomic-orbital (AO) vector space as a minimal basis space (which includes the occupied and valence virtual spaces) and a hard-virtual (HV) space (which includes everything else). The valence virtual space localizes easily with standard methods, while the hard-virtual space is constructed to be atom centered and automatically local. The orbitals presented here may be computed almost as quickly as projecting the AO basis onto the virtual space and are almost as local (according to orbital variance), while our orbitals are orthonormal (rather than redundant and nonorthogonal). We expect this algorithm to find use in local-correlation methods. (c) 2005 American Institute of Physics. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Subotnik, JE (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM subotnik@berkeley.edu; t_dutoi@bastille.cchem.berkeley.edu; mhg@cchem.berkeley.edu NR 39 TC 62 Z9 62 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD SEP 15 PY 2005 VL 123 IS 11 AR 114108 DI 10.1063/1.2033687 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 966PT UT WOS:000232033800011 ER PT J AU Campbell, CG Laycak, DT Hoppes, W Tran, NT Shi, FG AF Campbell, CG Laycak, DT Hoppes, W Tran, NT Shi, FG TI High concentration suspended sediment measurements using a continuous fiber optic in-stream transmissometer SO JOURNAL OF HYDROLOGY LA English DT Article DE suspended sediment; sediment transport; turbidity; optical sensors ID PARTICLE-SIZE; WATER; FIELD; TURBIDITY; TRANSPORT; STORM AB Suspended sediment loads mobilized during high flow periods in rivers and streams are largely uncharacterized. In smaller and intermittent streams, a large storm may transport a majority of the annual sediment budget. Therefore, monitoring techniques that can measure high suspended sediment concentrations at semi-continuous time intervals are needed. A fiber optic in-stream transmissometer (FIT) is presented and laboratory tested for continuous measurement of high concentration suspended sediment in flowing water. FIT performance and precision were demonstrated to be reasonably good for suspended sediment concentrations up to 10 g/L. The FIT was compared in laboratory tests to two commercially available turbidity devices and provided better precision and accuracy at both high and low concentrations. Both turbidity devices were unable to collect measurements at concentrations greater than 4 g/L. The FIT and turbidity measurements were sensitive to sediment particle size. Particle size dependence of transmittance and turbidity measurement poses the greatest problem for calibration to suspended sediment concentration. While the FIT was demonstrated to provide acceptable measurements of high suspended sediment concentrations in these studies, approaches to real-time suspended sediment detection need to address the particle size dependence in concentration measurements. (c) 2005 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Water Guidance & Monitoring Grp, Environm Protect Dept, Livermore, CA 94551 USA. Univ Calif Irvine, Henry Samueli Sch Engn, Optelect Packaging & Integrat Lab, Irvine, CA 92697 USA. RP Campbell, CG (reprint author), Lawrence Livermore Natl Lab, Water Guidance & Monitoring Grp, Environm Protect Dept, POB 808,L-627, Livermore, CA 94551 USA. EM campbell48@llnl.gov NR 25 TC 25 Z9 28 U1 2 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-1694 J9 J HYDROL JI J. Hydrol. PD SEP 15 PY 2005 VL 311 IS 1-4 BP 244 EP 253 DI 10.1016/j.jhydrol.2005.01.026 PG 10 WC Engineering, Civil; Geosciences, Multidisciplinary; Water Resources SC Engineering; Geology; Water Resources GA 968PN UT WOS:000232174600018 ER PT J AU Wensing, AMJ van de Vijver, DA Angarano, G Asjo, B Balotta, C Boeri, E Camacho, R Chaix, ML Costagliola, D De Luca, A Derdelinckx, I Grossman, Z Hamouda, O Hatzakis, A Hemmer, R Hoepelman, A Horban, A Korn, K Kucherer, C Leitner, T Loveday, C MacRae, E Maljkovic, I de Mendoza, C Meyer, L Nielsen, C de Coul, ELO Ormaasen, V Paraskevis, D Perrin, L Puchhammer-Stockl, E Ruiz, L Salminen, M Schmit, JC Schneider, F Schuurman, R Soriano, V Stanczak, G Stanojevic, M Vandamme, AM Van Laethem, K Violin, M Wilbe, K Yerly, S Zazzi, M Boucher, CA AF Wensing, AMJ van de Vijver, DA Angarano, G Asjo, B Balotta, C Boeri, E Camacho, R Chaix, ML Costagliola, D De Luca, A Derdelinckx, I Grossman, Z Hamouda, O Hatzakis, A Hemmer, R Hoepelman, A Horban, A Korn, K Kucherer, C Leitner, T Loveday, C MacRae, E Maljkovic, I de Mendoza, C Meyer, L Nielsen, C de Coul, ELO Ormaasen, V Paraskevis, D Perrin, L Puchhammer-Stockl, E Ruiz, L Salminen, M Schmit, JC Schneider, F Schuurman, R Soriano, V Stanczak, G Stanojevic, M Vandamme, AM Van Laethem, K Violin, M Wilbe, K Yerly, S Zazzi, M Boucher, CA CA SPREAD Programme TI Prevalence of drug-resistant HIV-1 variants in untreated individuals in Europe: Implications for clinical management SO JOURNAL OF INFECTIOUS DISEASES LA English DT Article ID HUMAN-IMMUNODEFICIENCY-VIRUS; GENOTYPIC RESISTANCE; REVERSE-TRANSCRIPTASE; ANTIRETROVIRAL THERAPY; PRIMARY INFECTION; TYPE-1; TRANSMISSION; MUTATIONS; SUBTYPES; FITNESS AB Background. Infection with drug-resistant human immunodeficiency virus type 1 (HIV-1) can impair the response to combination therapy. Widespread transmission of drug-resistant variants has the disturbing potential of limiting future therapy options and affecting the efficacy of postexposure prophylaxis. Methods. We determined the baseline rate of drug resistance in 2208 therapy-naive patients recently and chronically infected with HIV-1 from 19 European countries during 1996-2002. Results. In Europe, 1 of 10 antiretroviral-naive patients carried viruses with >= 1 drug-resistance mutation. Recently infected patients harbored resistant variants more often than did chronically infected patients (13.5% vs. 8.7%; P = .006). Non-B viruses (30%) less frequently carried resistance mutations than did subtype B viruses (4.8% vs. 12.9%;). Baseline resistance increased over time in newly diagnosed cases of non-B infection: from P <.01 2.0% (1/49) in 1996-1998 to 8.2% (16/194) in 2000-2001. Conclusions. Drug-resistant variants are frequently present in both recently and chronically infected therapy-naive patients. Drug-resistant variants are most commonly seen in patients infected with subtype B virus, probably because of longer exposure of these viruses to drugs. However, an increase in baseline resistance in non-B viruses is observed. These data argue for testing all drug-naive patients and are of relevance when guidelines for management of postexposure prophylaxis and first-line therapy are updated. C1 Univ Utrecht, Med Ctr, Eijkman Winkler Inst, Dept Virol G04 614, NL-3584 CX Utrecht, Netherlands. Univ Utrecht, Med Ctr, Dept Internal Med, NL-3584 CX Utrecht, Netherlands. Natl Inst Publ Hlth & Environm, NL-3720 BA Bilthoven, Netherlands. Univ Foggia, Foggia, Italy. Univ Milan, Milan, Italy. Diagnost & Ric San Raffaele, Milan, Italy. Catholic Univ Rome, Inst Clin Infect Dis, Rome, Italy. Univ Siena, I-53100 Siena, Italy. Univ Bergen, Bergen, Norway. Ullevaal Univ Hosp, Oslo, Norway. Hosp Egas Moniz, Lisbon, Portugal. Hop Necker Enfants Malad, Virol Lab, Paris, France. Univ Paris 06, Paris, France. INSERM, U720, Paris, France. INSERM, U569, Le Kremlin Bicetre, France. Katholieke Univ Leuven, Rega Inst, Louvain, Belgium. Sheba Med Ctr, Tel Hashomer, Israel. Univ Erlangen Nurnberg, Erlangen, Germany. Robert Koch Inst, D-1000 Berlin, Germany. Univ Athens, Sch Med, GR-11527 Athens, Greece. Ctr Hosp Luxembourg, Luxembourg, Luxembourg. Hosp Infect Dis & AIDS Diag, Warsaw, Poland. Therapy Ctr, Warsaw, Poland. Los Alamos Natl Lab, Los Alamos, NM USA. Int Clin Virol Ctr, High Wycombe, Bucks, England. Swedish Inst Infect Dis Control, Solna, Sweden. Hosp Carlos 3, Madrid, Spain. Univ Hosp Geneva, Geneva, Switzerland. Univ Vienna, Vienna, Austria. IrsiCaixa Fdn, Retrovirol Lab, Badalona, Spain. Natl Publ Hlth Inst, Helsinki, Finland. Univ Belgrade, Belgrade, Serbia Monteneg. Statens Serum Inst, DK-2300 Copenhagen, Denmark. RP Boucher, CA (reprint author), Univ Utrecht, Med Ctr, Eijkman Winkler Inst, Dept Virol G04 614, Heidelberglaan 100, NL-3584 CX Utrecht, Netherlands. EM c.boucher@azu.nl RI wensing, a.m.j./F-3005-2011; De Luca, Andrea/G-8810-2011; Vandamme, Anne Mieke/I-4127-2012; Salminen, Mika/D-8784-2013; Camacho, Ricardo/I-7629-2012; Costagliola, Dominique/H-5849-2011; Van Laethem, Kristel/R-6282-2016; OI Vandamme, Anne Mieke/0000-0002-6594-2766; Salminen, Mika/0000-0003-3020-0866; Camacho, Ricardo/0000-0002-9129-3237; Costagliola, Dominique/0000-0003-0765-0869; Van Laethem, Kristel/0000-0001-6036-2271; Stanojevic, Maja/0000-0002-4643-4272; ANGARANO, Gioacchino/0000-0003-3207-7523; Paraskevis, Dimitrios/0000-0001-6167-7152 NR 30 TC 309 Z9 331 U1 2 U2 11 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0022-1899 J9 J INFECT DIS JI J. Infect. Dis. PD SEP 15 PY 2005 VL 192 IS 6 BP 958 EP 966 DI 10.1086/432916 PG 9 WC Immunology; Infectious Diseases; Microbiology SC Immunology; Infectious Diseases; Microbiology GA 960WJ UT WOS:000231623600004 PM 16107947 ER PT J AU Layden-Almer, JE Kuiken, C Ribeiro, RM Kunstman, KJ Perelson, AS Layden, TJ Wolinsky, SM AF Layden-Almer, JE Kuiken, C Ribeiro, RM Kunstman, KJ Perelson, AS Layden, TJ Wolinsky, SM TI Hepatitis C virus genotype 1a NS5A pretreatment sequence variation and viral kinetics in African American and white patients SO JOURNAL OF INFECTIOUS DISEASES LA English DT Article ID NONSTRUCTURAL 5A PROTEIN; SENSITIVITY-DETERMINING REGION; AMINO-ACID SUBSTITUTIONS; INTERFERON-ALPHA THERAPY; TREATMENT RESPONSE; PLUS RIBAVIRIN; PEGINTERFERON ALPHA-2B; BINDING DOMAIN; UNITED-STATES; INFECTION AB In hepatitis C virus (HCV) infection, race is a determinant of treatment response and interferon (IFN) effectiveness. Here, we investigated whether there were differences in the pretreatment viral strains between African American patients and white patients and whether these differences correlated with viral kinetics. IFN effectiveness was calculated using a viral kinetic model. The HCV NS5A region from 21 treated patients with HCV genotype 1a was sequenced and analyzed. White patients displayed more mutations in the V3 region (P = .03), and treatment responders tended to have more mutations in (mean +/- SD 4.5 +/- 1.4 2.9 +/- 1.6 P = . 016) this region than did nonresponders. There was a significant positive correlation between IFN effectiveness and the number of mutations in the V3 region (P = .03). There was no clustering of strains by race, treatment response, or IFN effectiveness in phylogenetic analyses. The results of this study, in conjunction with those of a previous study illustrating the impaired IFN effectiveness in African Americans, suggest a role for hostrelated factors. C1 Univ Illinois, Coll Med, Dept Med, Chicago, IL 60612 USA. Northwestern Univ, Feinberg Sch Med, Dept Infect Dis, Chicago, IL 60611 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. RP Layden-Almer, JE (reprint author), Univ Illinois, Coll Med, Dept Med, M-C 787,840 S Wood St, Chicago, IL 60612 USA. EM jlayde1@uic.edu RI Wolinsky, Steven/B-2893-2012; OI Wolinsky, Steven/0000-0002-9625-6697 FU NCRR NIH HHS [M01 RR 13987, R01 RR06555]; NIDDK NIH HHS [R01 DK58320-01] NR 45 TC 27 Z9 28 U1 0 U2 1 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0022-1899 J9 J INFECT DIS JI J. Infect. Dis. PD SEP 15 PY 2005 VL 192 IS 6 BP 1078 EP 1087 DI 10.1086/432760 PG 10 WC Immunology; Infectious Diseases; Microbiology SC Immunology; Infectious Diseases; Microbiology GA 960WJ UT WOS:000231623600020 PM 16107963 ER PT J AU Aliev, FM Bengoechea, MR Gao, CY Cochran, HD Dai, S AF Aliev, FM Bengoechea, MR Gao, CY Cochran, HD Dai, S TI Dielectric relaxation in liquid crystals confined in a quasi-one-dimensional system SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article; Proceedings Paper CT 3rd International Conference on Broadband Dielectric Spectroscopy and its Applications CY AUG 23-26, 2004 CL Delft, NETHERLANDS SP Delft Univ Technol, KNAW, Fdn Fundamental Res Matter, Novocontrol GmbH, DSM ID POROUS-MEDIA; SPECTROSCOPY; DYNAMICS; TRANSITION; PHASES; SERIES; FILMS; GLASS AB Dielectric spectroscopy was used to investigate the influence of confinement of the liquid crystal 4-n-penyl-4'-cyanobiphenyl 5CB (LC) on the nematic-to-isotropic (N-I) phase transition and the dynamics of molecular reorientations via rotation of molecules around their short axis under extremely narrow confinement in pores of 2.3 nm diameter, that may be considered a quasi-one-dimensional (ID) system. We observed that, instead of undergoing the N-I phase transition in the quasi-ID system, 5CB inside the 2.3 nm pores shows dynamic behavior typical for supercooled liquids. Relaxation of molecular origin dramatically slows down upon cooling the sample from the isotropic phase. Molecular reorientations were dielectrically active at temperatures much above the bulk N-I transition temperature but with the relaxation rate much slower and dielectric spectrum much broader than in the bulk 5CB. We suggest that the slowing down of the mode, which is molecular in the bulk material, may be due to enhancement of the effective viscosity of 5CB under such narrow confinement, resulting in supercooled dynamics. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Puerto Rico, Dept Phys, Rio Piedras, PR 00931 USA. Univ Tennessee, Dept Chem Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Aliev, FM (reprint author), Univ Puerto Rico, Dept Phys, POB 23343, Rio Piedras, PR 00931 USA. EM faliev@rrpac.upr.clu.edu RI Dai, Sheng/K-8411-2015 OI Dai, Sheng/0000-0002-8046-3931 NR 23 TC 10 Z9 11 U1 0 U2 3 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 SEP 15 PY 2005 VL 351 IS 33-36 BP 2690 EP 2693 DI 10.1016/j.jnoncrysol.2005.04.080 PG 4 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 966AZ UT WOS:000231993300018 ER PT J AU Tuncer, E Wegener, M Gerhard-Multhaupt, R AF Tuncer, E Wegener, M Gerhard-Multhaupt, R TI Distribution of relaxation times in alpha-phase polyvinylidene fluoride SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article; Proceedings Paper CT 3rd International Conference on Broadband Dielectric Spectroscopy and its Applications CY AUG 23-26, 2004 CL Delft, NETHERLANDS SP Delft Univ Technol, KNAW, Fdn Fundamental Res Matter, Novocontrol GmbH, DSM ID DIELECTRIC-SPECTROSCOPY; INVERSION; VISCOSITY; PVDF AB In this paper, a recently developed numerical method to analyze dielectric-spectroscopy data is applied to alpha-phase polyvinylidene fluoride (PVDF). The numerical procedure is non-parametric and does not contain any of the extensively used empirical formulas mentioned in the literature. The method basically recovers the unknown distribution of relaxation times of the generalized dielectric function representation by simultaneous application of the Monte Carlo integration method and of the constrained least-squares optimization. The relaxation map constructed after the numerical analysis is compared to a-phase PVDF data presented in the literature and results of the parametric analysis with a well-known empirical formula. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Potsdam, Dept Phys, Appl Condensed Matter Phys, D-14469 Potsdam, Germany. RP Tuncer, E (reprint author), Oak Ridge Natl Lab, Div Fus Energy, Appl Superconductiv Grp, POB 2008, Oak Ridge, TN 37831 USA. EM enis.tuncer@physics.org RI Wegener, Michael/C-3661-2008; Gerhard, Reimund/F-7099-2011; OI Gerhard, Reimund/0000-0002-1306-2249; Tuncer, Enis/0000-0002-9324-4324 NR 26 TC 20 Z9 21 U1 0 U2 7 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 SEP 15 PY 2005 VL 351 IS 33-36 BP 2917 EP 2921 DI 10.1016/j.jnoncrysol.2005.03.055 PG 5 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 966AZ UT WOS:000231993300054 ER PT J AU Webb-Robertson, BJM Lowry, DF Jarman, KH Harbo, SJ Meng, QR Fuciarelli, AF Pounds, JG Lee, KM AF Webb-Robertson, BJM Lowry, DF Jarman, KH Harbo, SJ Meng, QR Fuciarelli, AF Pounds, JG Lee, KM TI A study of spectral integration and normalization in NMR-based metabonomic analyses SO JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS LA English DT Article DE metabonomics; nuclear magnetic resonance (NMR); Principal Component Analysis (PCA); normalization; integration; cross-validation ID ELASTASE-INDUCED EMPHYSEMA; PATTERN-RECOGNITION; RAT; SEVERITY; DISEASE; URINE; ALPHA; LIVER; MICE AB Metabonomics involves the quantitation of the dynamic multivariate metabolic response of an organism to a pathological event or genetic modification [J.K. Nicholson, J.C. Lindon, E. Holmes, Xenobiotica 29 (1999) 1181-1189]. The analysis of these data involves the use of appropriate multivariate statistical methods; Principal Component Analysis (PCA) has been documented as a valuable pattern recognition technique for H-1 NMR spectral data [J.T. Brindle, H. Antti, E. Holmes, G. Tranter, J.K. Nicholson, H.W. Bethell, S. Clarke, P.M. Schofield, E. McKilligin, D.E. Mosedale, D.J. Grainger, Nat. Med. 8 (2002) 1439-1444; B.C. Potts, A.J. Deese, G.J. Stevens, M.D. Reily, D.G. Robertson, J. Theiss, J. Pharm. Biomed. Anal. 26 (2001) 463-476; D.G. Robertson, M.D. Reily, R.E. Sigler, D.F. Wells, D.A. Paterson, T.K. Braden, Toxicol. Sci. 57 (2000) 326-337; L.C. Robosky, D.G. Robertson, J.D. Baker, S. Rane, M.D. Reily, Comb. Chem. High Throughput Screen. 5 (2002) 651-662]. Prior to PCA the raw data is typically processed through four steps; (1) baseline correction, (2) endogenous peak removal, (3) integration over spectral regions to reduce the number of variables, and (4) normalization. The effect of the size of spectral integration regions and normalization has not been well studied. The variability structure and classification accuracy on two distinctly different datasets are assessed via PCA and a leave-one-out cross-validation approach under two normalization approaches and an array of spectral integration regions. The first dataset consists of urine from 15 male Wistar-Hannover rats dosed with ANIT measured at five time points, mimicking drug-induced cholangiolitic hepatitis [D.G. Robertson, M.D. Reily, R.E. Sigler, D.F. Wells, D.A. Paterson, T.K. Braden, Toxicol. Sci. 57 (2000) 326-337; J.P. Shockcor, E. Holmes, Curr. Top. Med. Chem. 2 (2002) 35-51; N.J. Waters, E. Holmes, A. Williams, C.J. Waterfield, R.D. Farrant, J.K. Nicholson, Chem. Res. Toxicol. 14 (2001) 1401-1412]. The second data is serum samples from young male C57BL/6 mice subjected to instillation of pancreatic elastase producing emphysema type symptoms [C. Kuhn, S.Y. Yu, M. Chraplyvy, H.E. Linder, R.M. Senior, Lab. Invest. 34 (1976) 372-380; C. Kuhn, R.M. Senior, Lung 155 (1978) 185-197]. This study indicates that independent of the normalization method the classification accuracy achieved from metabonomic studies is not highly sensitive to the size of the spectral integration region. Additionally, both datasets scaled to mean zero and unity variance (auto-scaled) have higher variability within classification accuracy over spectral integration window widths than data scaled to the total intensity of the spectrum. Of the top 10 latent variables for the ANIT dataset the auto-scale normalization has standard deviations larger than the total-scale in seven cases. In the case of the elastase all standard deviations are larger for the auto-scaling. (c) 2005 Published by Elsevier B.V. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Battelle Mem Inst, Richland, WA 99352 USA. Colorado State Univ, Ft Collins, CO 80523 USA. RP Webb-Robertson, BJM (reprint author), Pacific NW Natl Lab, POB 999,K7-90, Richland, WA 99352 USA. EM bobbie-jo.webb-robertson@pnl.gov OI Pounds, Joel/0000-0002-6616-1566 NR 18 TC 32 Z9 33 U1 2 U2 23 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0731-7085 J9 J PHARMACEUT BIOMED JI J. Pharm. Biomed. Anal. PD SEP 15 PY 2005 VL 39 IS 3-4 BP 830 EP 836 DI 10.1016/j.jpba.2005.05.012 PG 7 WC Chemistry, Analytical; Pharmacology & Pharmacy SC Chemistry; Pharmacology & Pharmacy GA 969BZ UT WOS:000232209700071 PM 15990265 ER PT J AU Lee, TJ Mejia, CN Beran, GJO Head-Gordon, M AF Lee, TJ Mejia, CN Beran, GJO Head-Gordon, M TI Search for stratospheric bromine reservoir species: Theoretical study of the photostability of mono-, tri-, and pentacoordinated bromine compounds SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID ABSORPTION CROSS-SECTIONS; OZONE DEPLETION POTENTIALS; DENSITY-FUNCTIONAL THEORY; ATMOSPHERIC BROMINE; EXCITED-STATES; CHEMISTRY; HOBR; RADICALS; SPECTRA; BR2O AB Previous work has shown that pentacoordinated bromine compounds have their lowest excited electronic states shifted to the blue relative to monocoordinated bromine molecules, and that this shift may be large enough to render them photostable in the lower stratosphere. Our earlier work has also shown that certain pentacoordinated bromine compounds are thermodynamically stable relative to their mono- or tricoordinated isomers, suggesting that if a bromine stratospheric reservoir species exists, it may be a pentacoordinated compound. In this study we have examined the singlet and triplet excited electronic states of several bromine compounds, using time dependent density functional theory, to assess their photostability under stratospheric conditions and in order to elucidate the nature of lowest excited states in mono-, tri-, and pentacoordinated bromine molecules. The triplet states have been included due to the strong spin-orbit mixing in bromine. We have found several pentacoordinated bromine/oxygen compounds that could be photostable in the lower stratosphere, but we have also found that monovalent bromine compounds where the bromine atom is bonded to an atom with no lone-pair p-electrons is far and away the most photostable. Attachment/detachment electron density plots have been useful in ascertaining the nature of the excited electronic states and their likely path to photodissociation. C1 NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94563 USA. Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94563 USA. RP Lee, TJ (reprint author), NASA, Ames Res Ctr, MS245-6, Moffett Field, CA 94035 USA. EM tjlee@mail.arc.nasa.gov RI Beran, Gregory/B-8684-2011; Lee, Timothy/K-2838-2012 OI Beran, Gregory/0000-0002-2229-2580; NR 32 TC 5 Z9 6 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD SEP 15 PY 2005 VL 109 IS 36 BP 8133 EP 8139 DI 10.1021/jp050997y PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 963MW UT WOS:000231809400009 PM 16834199 ER PT J AU Barnard, AS Sternberg, M AF Barnard, AS Sternberg, M TI Substitutional nitrogen in nanodiamond and bucky-diamond particles SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID FIELD ELECTRON-EMISSION; NANOCRYSTALLINE DIAMOND; PHASE-STABILITY; DOPED DIAMOND; FILMS; NANOPARTICLES; GROWTH; CARBON; STATE; SIZE AB The inclusion of dopants (such as nitrogen) in diamond nanoparticles is expected to be important for use in future nanodevices, such as qubits for quantum computing. Although most commercial diamond nanoparticles contain a small fraction of nitrogen, it is still unclear whether it is located within the core or at the surface of the nanoparticle. Presented here are density functional tight binding simulations examining the configuration, potential energy surface, and electronic charge of substitutional nitrogen in nanodiamond and bucky-diamond particles. The results predict that nitrogen is likely to be positioned at the surface of both hydrogenated nanodiamond and (dehydrogenated) bucky-diamond, and that the coordination of the dopants within the particles is dependent upon the surface structure. C1 Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Barnard, AS (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM amanda.barnard@anl.gov RI Barnard, Amanda/A-7340-2011 OI Barnard, Amanda/0000-0002-4784-2382 NR 32 TC 52 Z9 53 U1 2 U2 21 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 SEP 15 PY 2005 VL 109 IS 36 BP 17107 EP 17112 DI 10.1021/jp0524126 PG 6 WC Chemistry, Physical SC Chemistry GA 963MV UT WOS:000231809300015 PM 16853182 ER PT J AU Dargaville, TR Celina, M Martin, JW Banks, BA AF Dargaville, TR Celina, M Martin, JW Banks, BA TI Evaluation of piezoelectric PVDF polymers for use in space environments. II. Effects of atomic oxygen and vacuum UV exposure SO JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS LA English DT Article DE atomic oxygen; space environment; vacuum ultraviolet radiation; vinylidene fluoride ID POLY(VINYLIDENE FLUORIDE); TEMPERATURE; DEGRADATION; RADIATION; EROSION; FILMS; FEP AB The effects of atomic oxygen (AO) and vacuum UV radiation simulating low Earth orbit conditions on two commercially available piezoelectric polymer films, poly(vinylidene fluoride) (PVDF) and poly(vinylidene fluoride-trifluoroethylene) P(VDF-TrFE), have been studied. Surface erosion and pattern development are significant for both polymers. Erosion yields were determined as 2.8 x 10(-24) cm(3)/atom for PVDF and 2.5 x 10-24 cm3/atom for P(VDF-TrFE). The piezoelectric properties of the residual material of both polymers were largely unchanged after exposure, although a slight shift in the Curie transition of the P(VDF-TrFE) was observed. A lightly cross-linked network was formed in the copolymer presumably because of penetrating vacuum ultraviolet (VUV) radiation, while the homopolymer remained uncross-linked. These differences were attributed to varying degrees of crystallinity and potentially greater absorption, and hence damage, of VUV radiation in P(VDF-TrFE) compared with PVDF. (c) 2005 Wiley Periodicals, Inc. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. NASA, Glenn Res Ctr, Cleveland, OH USA. RP Dargaville, TR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM trdarga@sandia.gov OI Dargaville, Tim/0000-0003-4665-9508 NR 32 TC 11 Z9 11 U1 0 U2 7 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0887-6266 J9 J POLYM SCI POL PHYS JI J. Polym. Sci. Pt. B-Polym. Phys. PD SEP 15 PY 2005 VL 43 IS 18 BP 2503 EP 2513 DI 10.1002/polb.20549 PG 11 WC Polymer Science SC Polymer Science GA 959OH UT WOS:000231527000009 ER PT J AU Loomis, E Swift, D Peralta, P McClellan, K AF Loomis, E Swift, D Peralta, P McClellan, K TI On the failure of NiAl bicrystals during laser-induced shock compression SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE laser-shock; compression; nickel-aluminide; bicrystals; elastic wave; grain boundary ID MECHANICAL-PROPERTIES; DEFORMATION; DISLOCATION; GENERATION; PRESSURES; CRYSTALS; MATTER; WAVES AB Thin NiAl bicrystals 5 mm in diameter and 150-350 mu m thick were tested under laser-induced shock compression to evaluate the material behavior and the effect of localized strain at the grain boundary on the failure of these specimens. Circular NiAl bicrystal samples with random misorientation were grown using a modified Czochralski technique and samples were prepared for shock compression at moderate pressures (< 10 GPa). The observed crack patterns on the drive surface as well as the free surface were examined using optical microscopy. Transmission electron microscopy (TEM) of the drive surface as well as in the bulk of one grain was performed on recovered specimens following shock compression. This revealed that a nanocrystalline region with a grain size of 15-20 nm formed on a thin layer at the drive surface following the plasma expansion phase of the laser-induced shock. TEM in the bulk of one grain showed that plastic deformation occurred in a periodic fashion through propagation of dislocation clusters. Cracking on the free surface of the samples revealed a clear grain boundary affected zone (GBAZ) due to scattering of the shock wave and variations in wave speed across the inclined boundary. Damage tended to accumulate in the grain into which the elastic wave refracted. This damage accumulation corresponds well to the regions in which the transmitted waves impinged on the free surface as predicted by elastic scattering models. (c) 2005 Elsevier B.V. All rights reserved. C1 Arizona State Univ, Dept Mech & Aerosp Engn, Tempe, AZ 85287 USA. Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Peralta, P (reprint author), Arizona State Univ, Dept Mech & Aerosp Engn, POB 876106, Tempe, AZ 85287 USA. EM pperalta@asu.edu NR 18 TC 4 Z9 4 U1 1 U2 6 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 SEP 15 PY 2005 VL 404 IS 1-2 BP 291 EP 300 DI 10.1016/j.msea.2005.05.074 PG 10 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 969RQ UT WOS:000232252800038 ER PT J AU Coker, EN Rees, LVC AF Coker, EN Rees, LVC TI Kinetics of ion exchange in quasi-crystalline aluminosilicate zeolite precursors SO MICROPOROUS AND MESOPOROUS MATERIALS LA English DT Article DE ion exchange; kinetics; water softening; quasi-crystalline; zeolite precursors ID MECHANOCHEMISTRY AB The kinetics of binary ion exchange of Ca2+ and Mg2+ for Na+ in quasi-crystalline and crystalline zeolite A has been investigated. Diffusion of either divalent cation into crystalline zeolite NaA is relatively fast, while the exchanges are slower in the quasi-crystalline precursor materials. The diffusion coefficient for Mg2+ exchange (D-(Mg)) into crystalline zeolite A is an order of magnitude lower than that of Ca2+ (D-(Ca)), due to the larger hydration sphere of the Mg2+ ion. However, the ratio (D-(ca):D-(Mg)) was found to scale with the degree of crystallinity of the sample. Calcium and magnesium ions diffuse into the quasi-crystalline materials at comparable rates; this phenomenon is ascribed to the presence of larger pores in the quasi-crystalline structure, as compared to the crystalline material. Low impact mechanical treatment of quasi-crystallinge zeolite precursors further decreases the difference between D-(Ca) and D-(Mg), while the crystallinity of the material is not noticeably decreased. (c) 2005 Elsevier Inc. All rights reserved. C1 Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87185 USA. Univ Edinburgh, Dept Chem, Edinburgh EH9 3JJ, Midlothian, Scotland. RP Coker, EN (reprint author), Sandia Natl Labs, Adv Mat Lab, POB 5800,MS 1349, Albuquerque, NM 87185 USA. EM encoker@sandia.gov NR 24 TC 18 Z9 18 U1 0 U2 6 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 SEP 15 PY 2005 VL 84 IS 1-3 BP 171 EP 178 DI 10.1016/j.micromeso.2005.05.028 PG 8 WC Chemistry, Applied; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 966QQ UT WOS:000232036300020 ER PT J AU Williford, RE Fryxell, GE Li, XS Addleman, RS AF Williford, RE Fryxell, GE Li, XS Addleman, RS TI Mechanism of hierarchical porosity formation in silica thin films using cellulose nitrate SO MICROPOROUS AND MESOPOROUS MATERIALS LA English DT Article DE hierarchical; porosity; cellulose nitrate; mesoporous; silica AB Ordered mesoporous silica thin films have potential applications as, e.g., sorbents, catalysts, and analytical instruments. in addition to high internal surface areas, these applications also require high permeability, which can be obtained by engineering hierarchical porosity into the film. This paper presents a novel approach using cellulose nitrate to generate a system of larger pores (15-30 nm diameter) connected by the smaller mesopores (2-10 nm diameter) generated using traditional organic surfactants. The unimolecular reaction for cellulose nitrate deflagration avoids the usual diffusion limitations of traditional combustion synthesis. A family of hierarchically porous films was produced using a range of surfactant mixtures, and exhibited a range of surface areas along with relatively nonporous surface phases ('skins') on the film free boundaries. These skins were formed by an extrusion mechanism due to pore expansion coupled with the lateral (in-plane) symmetry constraints unique to thin films. The skin thickness depends primarily on the ratio of the large pore spacing (10) over its diameter (d). The specific surface area (SA, m(2)/g) of the film increases monotonically as l(0)/d decreases, reaching a maximum at about l(0)/d similar to 0.67. Precipitous reductions in SA for smaller values of l(0)/d are caused by pore intersections and the associated excluded surface areas. At high pore intersection (low l(0)/d), the film structure evolves from 'a solid with pores' to 'pores surrounded by a cage-like silica matrix'. The cage-like film structure is less susceptable to thin film cracking behavior, but is probably in a more metastable state that is susceptable to thermal or hydrothermal exposure. (c) 2005 Elsevier Inc. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Williford, RE (reprint author), Pacific NW Natl Lab, Mail Stop K2-44, Richland, WA 99352 USA. EM rick.williford@pnl.gov NR 10 TC 14 Z9 15 U1 0 U2 9 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 SEP 15 PY 2005 VL 84 IS 1-3 BP 201 EP 210 DI 10.1016/j.micromeso.2005.05.027 PG 10 WC Chemistry, Applied; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 966QQ UT WOS:000232036300023 ER PT J AU Jeong, HK Lai, ZP Tsapatsis, M Hanson, JC AF Jeong, HK Lai, ZP Tsapatsis, M Hanson, JC TI Strain of MFI crystals in membranes: An in situ synchrotron X-ray study SO MICROPOROUS AND MESOPOROUS MATERIALS LA English DT Article DE crack formation; MFI zeolite membrane; negative thermal expansion; thin film stress; thermal behavior ID THERMAL-EXPANSION; ZEOLITE MEMBRANES; SEPARATION; DIFFRACTION; VIEW AB Temperature-resolved in situ synchrotron X-ray diffraction is used for the first time to study the microstructure evolution of a preferentially oriented zeolite membrane (siliceous ZSM-5) during calcination of the organic structure directing agent (tetrapropyl ammonium, TPA). Use of transmission sample geometry allowed us to discriminate in-plane from out-of-plane reflections and to calculate strain imposed on the zeolite layer along the in-plane (parallel to the support) as well as the out-of-plane (perpendicular to the support) direction over the entire calcination process. The results strongly suggest that the zeolite crystals of the membrane are under compressive in-plane stress and that their thermal behavior is quite different from free standing powder. (c) 2005 Elsevier Inc. All rights reserved. C1 Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. Brookhaven Natl Lab, Dept Chem, Upton, NY 11953 USA. RP Tsapatsis, M (reprint author), Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. EM hjeong@scs.uiuc.edu; tsapatsi@cems.umn.edu RI Hanson, jonathan/E-3517-2010; Lai, Zhiping/E-3072-2012; Lai, Zhiping/M-6756-2013; OI Jeong, Hae-Kwon/0000-0002-0026-5100 NR 14 TC 29 Z9 29 U1 0 U2 9 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 SEP 15 PY 2005 VL 84 IS 1-3 BP 332 EP 337 DI 10.1016/j.micromeso.2005.05.043 PG 6 WC Chemistry, Applied; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 966QQ UT WOS:000232036300037 ER PT J AU Dunzik-Gougar, ML Simpson, MF Scheetz, BE AF Dunzik-Gougar, ML Simpson, MF Scheetz, BE TI Two-site equilibrium model for ion exchange between multi-valent cations and zeolite-A in a molten salt SO MICROPOROUS AND MESOPOROUS MATERIALS LA English DT Article DE fission products; ion exchange; zeolite; model; molten salt ID ALKALI-METAL; SODIUM ZEOLITE; FUSED SALTS; NANO3; POTASSIUM; STRONTIUM; OCCLUSION; CHLORIDE; CALCIUM; SYSTEM AB A model has been developed and tested for its ability to describe the ion exchange of fission product species between zeolite and a molten salt bath used for pyroprocessing of spent nuclear fuel. The model is based on a system at equilibrium and assumes species interacting with zeolite are chemically independent of each other. This assumption was tested via a set of salt-zeolite contact experiments. Zeolite 4A was batch contacted with Cs ternary salt (CsCl-LiCl-KCl), Nd ternary salt (NdCl3-LiCl-KCl) or Cs-Nd quaternary salt (CsCl-NdCl3-LiCl-KCl) until ion exchange steady state was reached. Results from ternary salt and zeolite chemical analyses were used to determine model parameters for all species present. These parameters, in turn, were applied to compute estimated compositions of zeolite contacted with quaternary salt. The estimated compositions compare favorably with results from chemical analyses of the zeolite-quaternary salt experiment samples. Based on the data collected, the model is modified for predictive capability for a range of salt compositions. (c) 2005 Elsevier Inc. All rights reserved. C1 Idaho State Univ, Idaho Natl Lab, Idaho Falls, ID 83402 USA. Idaho Natl Lab, Idaho Falls, ID 83415 USA. Penn State Univ, Mat Res Lab, University Pk, PA 16802 USA. RP Dunzik-Gougar, ML (reprint author), Idaho State Univ, Idaho Natl Lab, 1776 Sci Ctr Dr, Idaho Falls, ID 83402 USA. EM mldg@isu.edu NR 16 TC 7 Z9 7 U1 1 U2 2 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 SEP 15 PY 2005 VL 84 IS 1-3 BP 366 EP 372 DI 10.1016/j.micromeso.2005.04.014 PG 7 WC Chemistry, Applied; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 966QQ UT WOS:000232036300042 ER PT J AU Spalding, KL Buchholz, BA Bergman, LE Druid, H Frisen, J AF Spalding, KL Buchholz, BA Bergman, LE Druid, H Frisen, J TI Age written in teeth by nuclear tests SO NATURE LA English DT Editorial Material ID C-14 C1 Karolinska Inst, Dept Cell & Mol Biol, Med Nobel Inst, S-17177 Stockholm, Sweden. Karolinska Inst, Dept Forens Med, S-17177 Stockholm, Sweden. Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94551 USA. RP Spalding, KL (reprint author), Karolinska Inst, Dept Cell & Mol Biol, Med Nobel Inst, S-17177 Stockholm, Sweden. EM jonas.frisen@cmb.ki.se RI Buchholz, Bruce/G-1356-2011 NR 10 TC 99 Z9 102 U1 2 U2 11 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD SEP 15 PY 2005 VL 437 IS 7057 BP 333 EP 334 DI 10.1038/437333a PG 2 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 964AS UT WOS:000231849100034 PM 16163340 ER PT J AU Suttle, CA AF Suttle, CA TI Viruses in the sea SO NATURE LA English DT Review ID ALGA HETEROSIGMA-AKASHIWO; MARINE VIRAL COMMUNITIES; COMPLETE GENOME SEQUENCE; EPIFLUORESCENCE MICROSCOPY; PHOTOSYNTHESIS GENES; AQUATIC ENVIRONMENTS; COUNTING VIRUSES; BRITISH-COLUMBIA; DNA; DIVERSITY AB Viruses exist wherever life is found. They are a major cause of mortality, a driver of global geochemical cycles and a reservoir of the greatest genetic diversity on Earth. In the oceans, viruses probably infect all living things, from bacteria to whales. They affect the form of available nutrients and the termination of algal blooms. Viruses can move between marine and terrestrial reservoirs, raising the spectre of emerging pathogens. Our understanding of the effect of viruses on global systems and processes continues to unfold, overthrowing the idea that viruses and virus-mediated processes are sidebars to global processes. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Suttle, CA (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM csuttle@eos.ubc.ca RI Suttle, Curtis/C-3150-2008 OI Suttle, Curtis/0000-0002-0372-0033 NR 85 TC 775 Z9 831 U1 20 U2 241 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD SEP 15 PY 2005 VL 437 IS 7057 BP 356 EP 361 DI 10.1038/nature04160 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 964AS UT WOS:000231849100042 PM 16163346 ER PT J AU Aleon, J Robert, F Duprat, J Derenne, S AF Aleon, J Robert, F Duprat, J Derenne, S TI Extreme oxygen isotope ratios in the early Solar System SO NATURE LA English DT Article ID EVOLVED STARS; ABUNDANCES; CARBON; METEORITES; GRAINS; ATMOSPHERES; STARDUST; ELEMENTS; GIANTS; O-18 AB The origins of the building blocks of the Solar System can be studied using the isotopic composition of early planetary and meteoritic material. Oxygen isotopes in planetary materials show variations at the per cent level that are not related to the mass of the isotopes(1,2); rather, they result from the mixture of components having different nucleosynthetic or chemical origins(1-3). Isotopic variations reaching orders of magnitude in minute meteoritic grains are usually attributed to stellar nucleosynthesis before the birth of the Solar System, whereby different grains were contributed by different stars(4,5). Here we report the discovery of abundant silica-rich grains embedded in meteoritic organic matter, having the most extreme O-18/O-16 and O-17/O-16 ratios observed (both similar to 10(-1)) together with a solar silicon isotopic composition. Both O and Si isotopes indicate a single nucleosynthetic process. These compositions can be accounted for by one of two processes: a single exotic evolved star seeding the young Solar System(6), or irradiation of the circumsolar gas by high energy particles accelerated during an active phase of the young Sun. We favour the latter interpretation, because the observed compositions are usually not expected from nucleosynthetic processes in evolved stars, whereas they are predicted by the selective trapping of irradiation products. C1 Ctr Rech Petrog & Geochim, F-54501 Vandoeuvre Les Nancy, France. Museum Natl Hist Nat, Lab Etud Mat Extraterr, F-75005 Paris, France. Ctr Spectrometrie Nucl & Spectrometrie Masse, F-91405 Orsay, France. Ecole Natl Super Chim Paris, Lab Chim Bioorgan & Organ Phys, F-75231 Paris, France. RP Aleon, J (reprint author), Lawrence Livermore Natl Lab, Glenn T Seaborg Inst, POB 808,L-231, Livermore, CA 94550 USA. EM aleon2@llnl.gov RI Derenne, Sylvie/I-9853-2014 OI Derenne, Sylvie/0000-0002-3446-9312 NR 30 TC 23 Z9 23 U1 0 U2 5 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD SEP 15 PY 2005 VL 437 IS 7057 BP 385 EP 388 DI 10.1038/nature03947 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 964AS UT WOS:000231849100047 PM 16163350 ER PT J AU Stappaerts, EA Scharlemann, ET AF Stappaerts, EA Scharlemann, ET TI Differential synthetic aperture ladar SO OPTICS LETTERS LA English DT Article ID RESOLUTION; LASER AB We report a differential synthetic aperture ladar concept that relaxes platform and laser requirements compared with those for conventional synthetic aperture ladar. Line-of-sight translation-vibration constraints are reduced by several orders of magnitude, while laser frequency stability is typically relaxed by an order of magnitude. The technique is most advantageous for shorter laser wavelengths, ultraviolet to mid-infrared. Analytical and modeling results, including the effect of speckle and atmospheric turbulence, are presented. (c) 2005 Optical Society of America. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Stappaerts, EA (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. NR 9 TC 7 Z9 9 U1 1 U2 6 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 J9 OPT LETT JI Opt. Lett. PD SEP 15 PY 2005 VL 30 IS 18 BP 2385 EP 2387 DI 10.1364/OL.30.002385 PG 3 WC Optics SC Optics GA 965QF UT WOS:000231964600013 PM 16196327 ER PT J AU Brenner, H Bielenberg, JR AF Brenner, H Bielenberg, JR TI A continuum approach to phoretic motions: Thermophoresis SO PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS LA English DT Article DE themiophoresis; volume transport; thermal creep ID LARGE AEROSOL PARTICLES; THERMAL FORCES; TRANSPORT; SLIP AB A purely continuum theory for the thermophoretic velocity of aerosol and hydrosol particles in the zero Knudsen number, near continuum limit, Kn = 0+, valid for both gases and liquids, is proposed. This theoretical result is based upon a fundamentally modified version of the traditional equations governing continuum fluid motion, one which accounts for an intrinsic difference in a fluid's barycentric (mass-based) velocity and its kinematic velocity of volume, this difference arising during molecular transport processes in fluids within which a mass density gradient exists. Our continuum-scale approach contains no free parameters, nor does it rely upon any sub-coutinuum, molecular concepts, such as Maxwell's thermally-induced velocity-slip condition. The resulting expression for the thermophoretic velocity of a non-Brownian, spherical particle agrees both constitutively and phenomenologically with available correlations of such velocity data in gases, as well as with the more limited data for liquids. Furthermore, the effect of shape and orientation is discussed for the case of nonspherical particles, with specific results furnished for effectively non-conducting particles. Agreement of the theory with the data furnishes explicit experimental support of the nontraditional fluid-mechanical equations utilized herein. (c) 2005 Elsevier B.V. All rights reserved. C1 MIT, Dept Chem Engn, Cambridge, MA 02139 USA. Los Alamos Natl Lab, ESA, MEE, Los Alamos, NM 87545 USA. RP Brenner, H (reprint author), MIT, Dept Chem Engn, 66-569, Cambridge, MA 02139 USA. EM hbrenner@mit.edu NR 36 TC 58 Z9 58 U1 0 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-4371 J9 PHYSICA A JI Physica A PD SEP 15 PY 2005 VL 355 IS 2-4 BP 251 EP 273 DI 10.1016/j.physa.2005.03.020 PG 23 WC Physics, Multidisciplinary SC Physics GA 950PK UT WOS:000230869200002 ER PT J AU Chassin, DP Posse, C AF Chassin, DP Posse, C TI Evaluating North American electric grid reliability using the Barabasi-Albert network model SO PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS LA English DT Article DE network robustness; power system reliability; scale-free networks ID SMALL-WORLD NETWORKS AB The reliability of electric transmission systems is examined using a scale-free model of network topology and failure propagation. The topologies of the North American eastern and western electric grids are analyzed to estimate their reliability based oil the Barabasi-Albert network model. A commonly used power system reliability index is computed using a simple failure propagation model. The results are compared to the values of power system reliability indices previously obtained using standard power engineering methods, and they suggest that scale-free network models are usable to estimate aggregate electric grid reliability. (c) 2005 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Chassin, DP (reprint author), POB 999,MS K5-16, Richland, WA 99352 USA. EM david.chassin@pnl.gov NR 13 TC 93 Z9 107 U1 2 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-4371 J9 PHYSICA A JI Physica A PD SEP 15 PY 2005 VL 355 IS 2-4 BP 667 EP 677 DI 10.1016/j.physa.2005.02.051 PG 11 WC Physics, Multidisciplinary SC Physics GA 950PK UT WOS:000230869200028 ER PT J AU Artamonov, AV Bassalleck, B Bhuyan, B Blackmore, EW Bryman, DA Chen, S Chiang, IH Christidi, IA Cooper, PS Diwan, MV Frank, JS Fujiwara, T Hu, J Jaffe, DE Kabe, S Kettell, SH Khabibullin, MM Khotjantsev, AN Kitching, P Kobayashi, M Komatsubara, TK Konaka, A Kozhevnikov, AP Kudenko, YG Kushnirenko, A Landsberg, LG Lewis, B Li, KK Littenberg, LS Macdonald, JA Mildenberger, J Mineev, OV Miyajima, M Mizouchi, K Mukhin, VA Muramatsu, N Nakano, T Nomachi, M Nomura, T Numao, T Obraztsov, VF Omata, K Patalakha, DI Petrenko, SV Poutissou, R Ramberg, EJ Redlinger, G Sato, T Sekiguchi, T Shinkawa, T Strand, RC Sugimoto, S Tamagawa, Y Tschirhart, R Tsunemi, T Vavilov, DV Viren, B Yershov, NV Yoshimura, Y Yoshioka, T AF Artamonov, AV Bassalleck, B Bhuyan, B Blackmore, EW Bryman, DA Chen, S Chiang, IH Christidi, IA Cooper, PS Diwan, MV Frank, JS Fujiwara, T Hu, J Jaffe, DE Kabe, S Kettell, SH Khabibullin, MM Khotjantsev, AN Kitching, P Kobayashi, M Komatsubara, TK Konaka, A Kozhevnikov, AP Kudenko, YG Kushnirenko, A Landsberg, LG Lewis, B Li, KK Littenberg, LS Macdonald, JA Mildenberger, J Mineev, OV Miyajima, M Mizouchi, K Mukhin, VA Muramatsu, N Nakano, T Nomachi, M Nomura, T Numao, T Obraztsov, VF Omata, K Patalakha, DI Petrenko, SV Poutissou, R Ramberg, EJ Redlinger, G Sato, T Sekiguchi, T Shinkawa, T Strand, RC Sugimoto, S Tamagawa, Y Tschirhart, R Tsunemi, T Vavilov, DV Viren, B Yershov, NV Yoshimura, Y Yoshioka, T CA E949 Collaborat TI Search for the decay K+-> pi(+)gamma gamma in the pi(+) momentum region P > 213 MeV/c SO PHYSICS LETTERS B LA English DT Article DE kaon rare decay; chiral perturbation theory; unitarity corrections; non-commutative theories ID CHIRAL PERTURBATION-THEORY; ENDCAP PHOTON DETECTOR; RADIATIVE KAON DECAYS; 500 MHZ; PERFORMANCE; PHYSICS AB We have searched for the K+ -> pi(+)gamma gamma decay in the kinematic region with pi(+) momentum close to the end point. No events were observed, and the 90% confidence-level upper limit on the partial branching ratio was obtained, B (K+ -> pi(+)gamma gamma, P > 213 MeV/c) < 8.3 x 10(-9) under the assumption of chiral perturbation theory including next-to-leading order "unitarity" corrections. The same data were used to determine an upper limit on the K+ -> pi(+)gamma branching ratio of 2.3 x 10(-9) at the 90% confidence level. (c) 2005 Elsevier B.V. All rights reserved. C1 High Energy Accelerator Res Org, KEK, Tsukuba, Ibaraki 3050801, Japan. Inst High Energy Phys, Protvino 142280, Moscow Region, Russia. Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. TRIUMF, Vancouver, BC V6T 2A3, Canada. Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z1, Canada. SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Kyoto Univ, Dept Phys, Sakyo Ku, Kyoto 6068502, Japan. Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. Univ Alberta, Ctr Subatom Res, Edmonton, AB T6G 2N5, Canada. Univ Fukui, Dept Appl Phys, Fukui 9108507, Japan. Osaka Univ, Res Ctr Nucl Phys, Osaka 5670047, Japan. Osaka Univ, Nucl Studies Lab, Toyonaka, Osaka 5600043, Japan. Natl Def Acad, Dept Appl Phys, Yokosuka, Kanagawa 2398686, Japan. Univ Delhi, Dept Phys & Astron, Delhi 110007, India. RP High Energy Accelerator Res Org, KEK, Tsukuba, Ibaraki 3050801, Japan. EM takeshi.komatsubara@kek.jp RI Khabibullin, Marat/O-1076-2013 NR 34 TC 8 Z9 8 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD SEP 15 PY 2005 VL 623 IS 3-4 BP 192 EP 199 DI 10.1016/j.physletb.2005.07.057 PG 8 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 967DF UT WOS:000232071000002 ER PT J AU Sasaki, K Sasaki, S Hatsuda, T AF Sasaki, K Sasaki, S Hatsuda, T TI Spectral analysis of excited nucleons in lattice QCD with maximum entropy method SO PHYSICS LETTERS B LA English DT Article ID ROPER RESONANCE; BARYONS; MATRIX; STATES AB We study the mass spectra of excited baryons with the use of the lattice QCD simulations. We focus our attention on the problem of the level ordering between the positive-parity excited state N'(1440) (the Roper resonance) and the negative-parity excited state N*(1535). Nearly perfect parity projection is accomplished by combining the quark propagators with periodic and anti-periodic boundary conditions in the temporal direction. Then we extract the spectral functions from the lattice data by utilizing the maximum entropy method. We observe that the masses of the N' and N* states are close for wide range of the quark masses (M-pi = 0.61-1.22 GeV) and for the physical point after the extrapolation in terms of the quark mass. The latter aspect is in contrast to the phenomenological prediction of the phenomenological quark models. The role of the Wilson doublers in the baryonic spectral functions is also studied. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Tsukuba, Ctr COmputat Sci, Tsukuba, Ibaraki 3058577, Japan. Univ Tokyo, Dept Phys, Tokyo 1130033, Japan. Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. RP Univ Tsukuba, Ctr COmputat Sci, Tsukuba, Ibaraki 3058577, Japan. EM ksasaki@ccs.tsukuba.ac.jp; ssasaki@phys.s.u-tokyo.ac.jp; hatsuda@phys.s.u-tokyo.ac.jp RI Hatsuda, Tetsuo/C-2901-2013 NR 35 TC 49 Z9 49 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD SEP 15 PY 2005 VL 623 IS 3-4 BP 208 EP 217 DI 10.1016/j.physletb.2005.07.026 PG 10 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 967DF UT WOS:000232071000004 ER PT J AU Seeber, G Kariuki, BM Cronin, L Kogerler, P AF Seeber, G Kariuki, BM Cronin, L Kogerler, P TI Synthesis, structure and magnetism of a linear Cu-Cl-Cu entity found in [(Cu(tachH)(tach))(2)(mu-Cl)](5+) SO POLYHEDRON LA English DT Article DE copper(II); coordination compounds; dinuclear complexes; molecular magnetism ID AB-INITIO CALCULATION; COMPLEXES AB Coordination of cis, trans-1,3,5-triaminocyclohexane (tach) to copper(II) at pH 11 in the presence of chloride ions results in the formation of a mu(2)-chloro-linked dimer of Cu(tach)(2) units, which was characterized by single-crystal X-ray analysis, UV/Vis and IR spectroscopy, elemental analysis and magnetic measurements. Within the Cu(tach)(2) halves, the structurally rigid, chelating tach ligands are oriented syn to each other and each ligand binds to the copper center via two amino groups, forming a near-square planar coordination environment. Under the present reaction conditions, half of the tach ligands are protonated at the pendant, non-coordinated amino group. The Cu(tach)2 halves are joined in a D-2h-symmetric fashion. This complex is of special interest as only few Cull dimers based on a single linear Cu-Cl-Cu motif are known. For the first time a magnetochemical analysis of such a species is provided that characterizes the weak antiferromagnetic intramolecular interactions between the two s = 1/2 Cu-II centers. (c) 2005 Elsevier Ltd. All rights reserved. C1 Univ Glasgow, Dept Chem, Glasgow G12 8QQ, Lanark, Scotland. Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Cronin, L (reprint author), Univ Glasgow, Dept Chem, Glasgow G12 8QQ, Lanark, Scotland. EM l.cronin@chem.gla.ac.uk; kogerler@ameslab.gov RI Cronin, Leroy/B-7752-2008; Kogerler, Paul/H-5866-2013; Kariuki, Benson/E-3469-2017 OI Cronin, Leroy/0000-0001-8035-5757; Kogerler, Paul/0000-0001-7831-3953; Kariuki, Benson/0000-0002-8658-3897 NR 13 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 0277-5387 J9 POLYHEDRON JI Polyhedron PD SEP 15 PY 2005 VL 24 IS 13 BP 1651 EP 1655 DI 10.1016/j.poly.2005.05.008 PG 5 WC Chemistry, Inorganic & Nuclear; Crystallography SC Chemistry; Crystallography GA 967KP UT WOS:000232090400005 ER PT J AU Govindaswamy, P Mozharivskyj, YA Kollipara, MR AF Govindaswamy, P Mozharivskyj, YA Kollipara, MR TI Syntheses, spectral and structural studies of Schiff base complexes of eta(5)-pentamethylcyclopentadienyl rhodium and iridium SO POLYHEDRON LA English DT Article DE pentamethylcyclopentadienyl; N,N '-chelating ligands; pyridine-2-carboxaldehyde; rhodium and iridium complexes ID X-RAY-STRUCTURE; CHIRAL RUTHENIUM COMPLEXES; MOLECULAR-STRUCTURE; ELECTROCHEMICAL PROPERTIES; LIGANDS; CRYSTAL; REACTIVITY; CHEMISTRY; PERCHLORATE; DERIVATIVES AB The compounds [(eta(5)-C5Me5)M(mu-Cl)Cl}(2)] where M = Rh (1) and Ir (2) react with N,N'-donor chelating ligands, viz., para-substituted N-(pyrid-2-ylmethylene)phenylamines (2-PP) in methanol-acetone to afford the pentamethylcyclopentadienyl rhodium (III) and iridium (III) derivatives of the type [(eta(5)-C5Me5)MCl(C5H4N-2-CH=N-C6H4-P-X](+) (M = Rh, 3; M = Ir, 4), where C5Me5 = pentamethylcyclopentadienyl; X = H (3a, 4a), CH3 (3b, 4b), OCH3 (3c, 4c), Cl (3d, 4d), NO, (3e, 4e), respectively. These compounds were characterized by FT-IR and FT-NMR spectroscopy as well as analytical data. The molecular structures of the tetrafluoroborate salt of [(eta(5)-C5Me5)RhCl(C5H4N-2-CH=N-C6H4-P-Cl)](+) (3d) and hexafluorophosphate salt of [(eta(5)-C5Me5)IrCl(C5H4N-2-CH=N-C6H4-P-NO2)](+) (4e) were established by single crystal X-ray diffraction studies. (c) 2005 Elsevier Ltd. All rights reserved. C1 NE Hill Univ, Dept Chem, Shillong 793022, Meghalaya, India. Iowa State Univ Sci & Technol, Ames Lab, Ames, IA 50011 USA. RP NE Hill Univ, Dept Chem, Shillong 793022, Meghalaya, India. EM kmrao@nehu.ac.in NR 41 TC 34 Z9 34 U1 1 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0277-5387 J9 POLYHEDRON JI Polyhedron PD SEP 15 PY 2005 VL 24 IS 13 BP 1710 EP 1716 DI 10.1016/j.poly.2005.04.034 PG 7 WC Chemistry, Inorganic & Nuclear; Crystallography SC Chemistry; Crystallography GA 967KP UT WOS:000232090400012 ER PT J AU Boyle, TJ Ottley, LAM Rodriguez, MA AF Boyle, TJ Ottley, LAM Rodriguez, MA TI Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films SO POLYHEDRON LA English DT Article DE zirconium alkoxides; zirconium oxide; neo-pentoxide; carboxylic acid; thin films ID X-RAY STRUCTURES; SUBSTITUTED OXOZIRCONIUM CLUSTERS; ORGANIC CONTAMINANTS; CRYSTAL-STRUCTURE; GROUP-IV; COMPLEXES; PRECURSORS; METHACRYLATE; REACTIVITY; MOISTURE AB A series of carboxylic acid (H-ORc) modified zirconium alkoxides (Zr(OR)(4)) were synthesized through the- reaction of the commercially available [Zr(mu-OPri)(OPri)(3)(H-OPri)](2) (1, OPri = OCH(CH3)(2)) with a series of sterically varied H-ORc, including: formic acid (H-O2CH or H-OFc), acetic acid (H-O2CCH3 or H-OAc), isobutyric acid (H-O2CCH(CH3)(2) or H-OPc), trimethyl acetic acid (H-O2C(CH3)(3) or H-013c), and t-butyl acetic acid (H-O2CCH2C(CH3)(3) or H-ONc) which yielded the following products: Zr-4(mu(4)-O)(mu-O)( mu-OFc)(2)(mu-OPri)(4)(OPri)(6) (2), Zr-3(mu(3)-O)(mu-OAc)(3)(OAC)(2)(mu-OPri)(2)(OPri)(3) (3), [Zr-2(mu-OPc)(2)(mu-OPri)(2)(OPri)(4)](2) (4), Zr-2(mu-OBc)-(mu-OPri)(2)(OPri)(5)(H-OPri) -(H-OPri) (5), Zr-2(mu-ONc)(ONc)(mu-OPri)(2)(OPri)(4)(H-OPri) (6).To increase the structural variability of these precursors, we also investigated the H-ORc modifications of the novel Zr-3(mu(3)-O)(mu(3)-ONep)(mu-ONep)(3)(ONep)(6) (7) which was isolated from the reaction between Zr(NMe2)(4) and 4 H-OCH2(CH3)(3) (H-ONep). The ORc-modified 7 species were isolated as: Zr-3(mu(3)-O)(mu-OAc)(3)(mu-ONep)(2)(ONep)(5) (8), Zr-5(mu-O)(3)(mu-OPc)(6)(mu-ONep)(2)(ONep)(6) (9), [Zr(mu-OPc)(mu-ONep)(ONeP)(2)](2) (10), Zr-5(mu-O)(3)(mu-ONc)(6)(mu-ONep)(2)(ONep)(6) -(H-ONep)-1/2(C7H8) (11). Once fully characterized, these compounds were used to generate thin films of ZrO2 to investigate the optimal structural aspects that dictate thin film density. It was determined that the majority of these compounds did not yield high quality films; however, the non-condensed species (3-5) did produce clear and continuous ZrO2 films. From this very limited set of useful precursors, the larger nuclearity species (3) led to films of higher densification. (c) 2005 Elsevier Ltd. All rights reserved. C1 Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. RP Boyle, TJ (reprint author), Sandia Natl Labs, Adv Mat Lab, 1001 Univ Blvd,SE, Albuquerque, NM 87106 USA. EM tjboyle@sandia.gov NR 37 TC 16 Z9 16 U1 0 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0277-5387 J9 POLYHEDRON JI Polyhedron PD SEP 15 PY 2005 VL 24 IS 13 BP 1727 EP 1738 DI 10.1016/j.poly.2005.05.005 PG 12 WC Chemistry, Inorganic & Nuclear; Crystallography SC Chemistry; Crystallography GA 967KP UT WOS:000232090400014 ER PT J AU Tang, YJ Zakharov, LN Rheingold, AL Kemp, RA AF Tang, YJ Zakharov, LN Rheingold, AL Kemp, RA TI Synthesis and structure of lithium amides and solvated derivatives containing bulky bis(silylamide) ligands SO POLYHEDRON LA English DT Article DE lithium (bis)silylamides; structures; synthesis; bulky ligands; amides ID SOLID-STATE; CRYSTAL-STRUCTURES; MOLECULAR-STRUCTURES; SILYLAMIDE LIGANDS; CARBON-DIOXIDE; RING-STACKING; N BONDS; COMPLEXES; REACTIVITY; CHEMISTRY AB Dimeric, non-solvated lithium amides containing the sterically crowded silylamide ligands {Li[N(SiMe3)((SiPh2Bu)-Bu-')]}(2) (1) and {Li[N(SiMe3)(SiPh3)]}(2) (2) have been synthesized by the reaction of the secondary amines with n-butyl lithium in hexane. Addition of excess donor solvents to hydrocarbon solutions of 1 yields Li[N(SiMe3)((SiPh2Bu)-Bu-')](L)(2), where L = thf (3), py (4), and hmpa (5), while pyridine addition to 2 produces Li[N(SiMe3)(SiPh3)](py)(2) (6). A related lithium amide, Li{N(SiMe3)[Si(SiMe3)(3)]}(py)(2) (7), was prepared from the treatment of the in situ generated dimeric compound with excessive pyridine. In a less-obvious synthesis, reaction of the lithium amide LiN(ad)(SiMe3) (ad = adamantyl) with 0.5 equiv CaI2 in thf did not yield the expected calcium bis(amide), but rather the unexpected product [(ad)(SiMe3)N](2)Li-3(mu(3)-I)(thf)(2) (8) was produced. All of the complexes have been fully characterized by H-1 and C-13 NMR spectra, infrared spectroscopy, elemental analyses, and single crystal X-ray diffraction. The structures of 1 and 2 were comprised of four-membered rings with amido ligands bridging two lithium atoms. The structures of 3-7 feature monomeric molecules with three-coordinate lithium centers. Compound 8 exhibited an unusual structure with two four-membered rings fused by a Li-I bond edge. The mu(3)-I atom bridged three lithium atoms with two significantly different I-Li bond lengths of 2.742(9) (average) and 3.12(1) angstrom. (c) 2005 Elsevier Ltd. All rights reserved. C1 Univ New Mexico, Dept Chem, Albuquerque, NM 87131 USA. Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA. Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. RP Kemp, RA (reprint author), Univ New Mexico, Dept Chem, Albuquerque, NM 87131 USA. EM rakemp@unm.edu NR 65 TC 8 Z9 8 U1 1 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0277-5387 J9 POLYHEDRON JI Polyhedron PD SEP 15 PY 2005 VL 24 IS 13 BP 1739 EP 1748 DI 10.1016/j.poly.2005.05.006 PG 10 WC Chemistry, Inorganic & Nuclear; Crystallography SC Chemistry; Crystallography GA 967KP UT WOS:000232090400015 ER PT J AU Hasselbach, L Ver Hoef, JM Ford, J Neitlich, P Crecelius, E Berryman, S Wolk, B Bohle, T AF Hasselbach, L Ver Hoef, JM Ford, J Neitlich, P Crecelius, E Berryman, S Wolk, B Bohle, T TI Spatial patterns of cadmium and lead deposition on and adjacent to National Park Service lands in the vicinity of Red Dog Mine, Alaska SO SCIENCE OF THE TOTAL ENVIRONMENT LA English DT Article ID MOSSES HYLOCOMIUM-SPLENDENS; METAL-DEPOSITION; PLEUROZIUM-SCHREBERI AB Heavy metal escapement associated with ore trucks is known to occur along the DeLong Mountain Regional Transportation System (DMTS) haul road corridor in Cape Krusenstern National Monument, northwest Alaska. Heavy metal concentrations in Hylocomium splendens moss (n = 226) were used in geostatistical models to predict the extent and pattern of atmospheric deposition of Cd and Ph on Monument lands. A stratified grid-based sample design was used with more intensive sampling near mine-related activity areas. Spatial predictions were used to produce maps of concentration patterns, and to estimate the total area in 10 moss concentration categories. Heavy metal levels in moss were highest immediately adjacent to the DMTS haul road (Cd > 24 mg/kg dw; Pb > 900 mg/kg dw). Spatial regression analyses indicated that heavy metal deposition decreased with the log of distance from the DMTS haul road and the DMTS port site. Analysis of subsurface soil suggested that observed patterns of heavy metal deposition reflected in moss were not attributable to subsurface lithology at the sample points. Further, moss Ph concentrations throughout the northern half of the study area were high relative to concentrations previously reported from other Arctic Alaska sites. Collectively, these findings indicate the presence of mine-related heavy metal deposition throughout the northern portion of Cape Krusenstern National Monument. Geospatial analyses suggest that the Pb depositional area extends 25 km north of the haul road to the Kisimilot/Iyikrok hills, and possibly beyond. More study is needed to determine whether higher moss heavy metal concentrations in the northernmost portion of the study area reflect deposition from mining-related activities, weathering from mineralized Pb/Zn outcrops in the broader region, or a combination of the two. South of the DMTS haul road, airborne deposition appears to be constrained by the Tahinichok Mountains. Heavy metal levels continue to diminish south of the mountains, reaching a minimum in the southernmost portion of the study area near the Igichuk Hills (45 km from the haul road). The influence of the mine site was not studied. (c) 2005 Elsevier B.V. All rights reserved. C1 Natl Pk Serv, Kotzebue, AK 99752 USA. Alaska Dept Fish & Game, Fairbanks, AK 99701 USA. Oregon State Univ, Dept Fisheries & Wildlife, Corvallis, OR 97331 USA. Battelle Marine Sci Lab, Sequim, WA 98382 USA. Oregon State Univ, Dept Bot & Plant Pathol, Corvallis, OR 97331 USA. RP Hasselbach, L (reprint author), Natl Pk Serv, POB 1029, Kotzebue, AK 99752 USA. EM linda_hasselbach@nps.gov OI Ver Hoef, Jay/0000-0003-4302-6895 NR 33 TC 15 Z9 17 U1 0 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0048-9697 J9 SCI TOTAL ENVIRON JI Sci. Total Environ. PD SEP 15 PY 2005 VL 348 IS 1-3 BP 211 EP 230 DI 10.1016/j.scitotenv.2004.12.084 PG 20 WC Environmental Sciences SC Environmental Sciences & Ecology GA 972OE UT WOS:000232462300017 PM 16162326 ER PT J AU Shingyoji, M Gerion, D Pinkel, D Gray, JW Chen, FQ AF Shingyoji, M Gerion, D Pinkel, D Gray, JW Chen, FQ TI Quantum dots-based reverse phase protein microarray SO TALANTA LA English DT Article DE quantum dots; protein microarray; bioconjugation; tyramide signal amplification; reverse phase protein lysate microarray; DNA-PK ID CATALYZED REPORTER DEPOSITION; SIGNAL AMPLIFICATION; BREAK REPAIR; CELL-LINES; IN-VIVO; DNA; KINASE; IMMUNOASSAYS; NANOCRYSTALS; DISEASE AB CdSe nanocrystals, also called quantum dots (Qdots) are a novel class of fluorophores, which have a diameter of a few nanometers and possess high quantum yield, tunable emission wavelength and photostability. They are an attractive alternative to conventional fluorescent dyes. Quantum dots can be silanized to be soluble in aqueous solution under biological conditions, and thus be used in bio-detection. In this study, we established a novel Qdot-based technology platform that can perform accurate and reproducible quantification of protein concentration in a crude cell lysate background. Protein lysates have been spiked with a target protein, and a dilution series of the cell lysate with a dynamic range of three orders of magnitude has been used for this proof-of-concept study. The dilution series has been spotted in microarray format, and protein detection has been achieved with a sensitivity that is at least comparable to standard commercial assays, which are based on horseradish peroxidase (HRP)-catalyzed diaminobenzidine (DAB) chromogenesis. The data obtained through the Qdot method has shown a close linear correlation between relative fluorescence unit and relative protein concentration. The Qdot results are in almost complete agreement with data we obtained with the well-established HRP-DAB colorimetric array (R-2 = 0.986). This suggests that Qdots can be used for protein quantification in microarray format, using the platform presented here. Published by Elsevier B.V. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Univ Calif San Francisco, Dept Lab Med, San Francisco, CA 94143 USA. Univ Calif San Francisco, Ctr Comprehens Canc, San Francisco, CA 94143 USA. RP Chen, FQ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, MS 977R0225A,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM f_chen@lbl.gov NR 36 TC 48 Z9 51 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-9140 J9 TALANTA JI Talanta PD SEP 15 PY 2005 VL 67 IS 3 BP 472 EP 478 DI 10.1016/j.talanta.2005.06.064 PG 7 WC Chemistry, Analytical SC Chemistry GA 965FR UT WOS:000231936400006 PM 18970191 ER PT J AU Yantasee, W Timchalk, C Weitz, KK Moore, DA Lin, YH AF Yantasee, W Timchalk, C Weitz, KK Moore, DA Lin, YH TI Optimization of a portable microanalytical system to reduce electrode fouling from proteins associated with biomonitoring of lead (Pb) in saliva SO TALANTA LA English DT Article DE lead; electrochemical sensor; flow injection; saliva; protein; stripping voltammetry; electrode fouling; passivation ID ANODIC-STRIPPING VOLTAMMETRY; TOXIC METALS; BLOOD; ADSORPTION; EXPOSURE; COPPER; MEDIA; IONS; RAT AB There is a need to develop reliable portable analytical systems for on-site and real-time biomonitoring of lead (Pb) from both occupational and environmental exposures. Saliva is an appealing matrix since it is easily obtainable, and therefore a potential substitute for blood due to existing reasonably good correlation between Pb levels in blood and saliva. The microanalytical system is based on flow-injection/stripping voltammetry with a wall-jet (flow-onto) microelectrochemical cell. Samples that contain as little as 1% saliva can cause electrode fouling, resulting in significantly reduced responsiveness and irreproducible quantitations. In addition, incomplete Pb release from salivary protein can also yield a lower Pb response than expected. This paper evaluates the extent of in vitro Pb-protein binding and the optimal pretreatment for releasing Pb from the saliva samples. Even in 50% by volume of rat saliva, the electrode fouling was not observed, due to the appropriate sample pretreatment and the constant flow of the sample and acidic carrier that prevented passivation by the protein. The system offered a linear response over a low Ph range of 1-10 ppb, low detection limit of I ppb, excellent reproducibility, and reliability. It also yielded the same Ph concentrations in unknown samples as did the ICP-MS. These encouraging results suggest that the microanalytical system represents an important analytical advancement for real-time non-invasive biomonitoring of Pb. (c) 2005 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM yuehe.lin@pnl.gov RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 NR 31 TC 17 Z9 17 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-9140 J9 TALANTA JI Talanta PD SEP 15 PY 2005 VL 67 IS 3 BP 617 EP 624 DI 10.1016/j.talanta.2005.03.039 PG 8 WC Chemistry, Analytical SC Chemistry GA 965FR UT WOS:000231936400030 PM 18970215 ER PT J AU Shamsi, A Spivey, JJ AF Shamsi, A Spivey, JJ TI Partial oxidation of methane on Ni-MgO catalysts supported on metal foams SO INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH LA English DT Article ID SOLID-SOLUTION CATALYSTS; SYNTHESIS GAS-FORMATION; HYDROGEN-PRODUCTION; SELECTIVE OXIDATION; HIGH YIELDS; SYNGAS; CONVERSION; MONOLITHS; REACTORS; DEPOSITION AB The catalytic partial oxidation of methane on Ni-MgO solid solutions supported on metal foams has been studied at temperatures from 600 to 800 degrees C, 1 atm, 3000-19000 mL/g-h, CH4/O-2 = 2/1. The catalysts were prepared in two ways: (a) oxidized foams were dipped directly into a citrate/ethylene glycol solution containing nitrate precursors and (b) oxidized foams were primed with a bohemite primer and washcoated with Ni-MgO powders, derived from the above solution, in an acidic solution. Results show that the foam-supported catalysts reach near-equilibrium conversions of methane and H-2/CO selectivities at the indicated space velocities. Rates of carbon deposition differ greatly among the catalysts, varying from 0.24 mg C/g cat h for the dipped foams to 7.0 mg C/g cat h for the powder-coated foams. Both of these rates are much lower than for the calcined, unsupported powder (57 mg C/g cat h). The results suggest that exposed Cr on all of the foam samples interact with the Ni-MgO catalyst to kinetically limit carbon formation. C1 US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. Louisiana State Univ, Gordon A & Marry Cain Dept Chem Engn, Baton Rouge, LA 70803 USA. RP Shamsi, A (reprint author), US DOE, Natl Energy Technol Lab, POB 880,3610 Collins Ferry Rd, Morgantown, WV 26507 USA. EM ashams@netl.doe.gov NR 46 TC 28 Z9 29 U1 1 U2 9 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 SEP 14 PY 2005 VL 44 IS 19 BP 7298 EP 7305 DI 10.1021/ie050114p PG 8 WC Engineering, Chemical SC Engineering GA 962YE UT WOS:000231768600003 ER PT J AU Li, LY King, DL AF Li, LY King, DL TI Cryptomelane as high-capacity sulfur dioxide absorbent for diesel emission control: A stability study SO INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH LA English DT Article AB A high-capacity sulfur oxide absorbent, cryptomelane, has been described previously. Its SO2 capacity can be as high as 70 wt %, which is more than 10 times as high as the capacities of standard metal oxide-based SO2 absorbents. In this study, the stability of cryptomelane under oxidizing, inert, reducing, and lean-rich cycling conditions was determined. Cryptomelane is stable in oxidizing and inert atmospheres. However, it is unstable under reducing atmospheres, converting to lower valent manganese oxide compounds. These low-valent oxides have very low capacity toward SO2. Upon reexposing the reduced cryptomelane products to an oxidizing atmosphere, cryptomelane may re-form. Cryptomelane exposed to the types of lean-rich cycles that have been proposed for NOx traps for diesel emission control, over the temperature range 250-550 degrees C, remains stable and maintains its very high SO2 capacity. It appears possible to use cryptomelane to protect the NOx traps from sulfur oxide degradation during cyclic lean-rich operation. C1 Pacific NW Natl Lab, Div Mat, Richland, WA 99354 USA. RP King, DL (reprint author), Pacific NW Natl Lab, Div Mat, POB 999, Richland, WA 99354 USA. EM david.king@pnl.gov NR 8 TC 7 Z9 8 U1 0 U2 0 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 SEP 14 PY 2005 VL 44 IS 19 BP 7388 EP 7397 DI 10.1021/ie050590f PG 10 WC Engineering, Chemical SC Engineering GA 962YE UT WOS:000231768600015 ER PT J AU Arbenz, P Hetmaniuk, UL Lehoucq, RB Tuminaro, RS AF Arbenz, P Hetmaniuk, UL Lehoucq, RB Tuminaro, RS TI A comparison of eigensolvers for large-scale 3D modal analysis using AMG-preconditioned iterative methods SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING LA English DT Article DE eigenvalues; large sparse symmetric eigenvalue problems; modal analysis; algebraic multigrid; preconditioned eigensolvers; shift-invert Lanczos ID SYMMETRIC EIGENVALUE PROBLEMS; CONJUGATE-GRADIENT METHODS; JACOBI-DAVIDSON; SPARSE EIGENPROBLEMS; SMOOTHED AGGREGATION; CONVERGENCE; ALGORITHMS; MATRICES; EIGENPAIRS; DEFLATION AB The goal of our paper is to compare a number of algorithms for computing a large number of eigenvectors of the generalized symmetric eigenvalue problem arising from a modal analysis of elastic structures. The shift-invert Lanczos algorithm has emerged as the workhorse for the solution of this generalized eigenvalue problem; however, a sparse direct factorization is required for the resulting set of linear equations. Instead, our paper considers the use of preconditioned iterative methods. We present a brief review of available preconditioned eigensolvers followed by a numerical comparison on three problems using a scalable algebraic multigrid (AMG) preconditioner. Copyright (c) 2005 John Wiley & Sons, Ltd. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Swiss Fed Inst Technol, ETH, Inst Comp Sci, CH-8092 Zurich, Switzerland. Sandia Natl Labs, Livermore, CA 94551 USA. RP Lehoucq, RB (reprint author), Sandia Natl Labs, MS 1110,POB 5800, Albuquerque, NM 87185 USA. EM arbenz@inf.ethz.ch; ulhetma@sandia.gov; rblehou@sandia.gov; rstumin@sandia.gov NR 43 TC 48 Z9 49 U1 0 U2 5 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 SEP 14 PY 2005 VL 64 IS 2 BP 204 EP 236 DI 10.1002/nme.1365 PG 33 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 962YP UT WOS:000231769800003 ER PT J AU Liu, P Rodriguez, JA Muckerman, JT AF Liu, P Rodriguez, JA Muckerman, JT TI Sulfur adsorption and sulfidation of transition metal carbides as hydrotreating catalysts SO JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL LA English DT Article DE sulfur adsorption; sulfidation; density functional theory; metal carbide; nanocrystal; metcar ID MOLYBDENUM CARBIDE; NITRIDE CATALYSTS; SURFACES; HYDRODESULFURIZATION; NANOCRYSTALS; CHEMISTRY; DESULFURIZATION; 1ST-PRINCIPLES; PHOTOEMISSION; THIOPHENE AB The formation of MoSxCy compounds has been observed on/in the surface of molybdenum-sulfide catalysts during the hydrodesulfurization (HDS) process, and it is a major factor for determining the activity of molybdenum-carbide catalysts. Density functional theory (DFT) was employed to investigate the adsorption of sulfur and sulfidation of transition metal carbides from groups 4-6 in the periodic table, including extended surfaces [MC(0 0 1) (M = Ti, V, Mo, Ta)], nanocrystals [M14C13 (M = Ti, V, Mo)] and metcar [M8C12 (M = Ti, V, Mo)] nanoparticles. It was found that with increasing carbon/metal ratio, the reactivity of the metal carbides towards sulfur decreased in the sequence: Mo2C > M14C13, M8C12 > MC(0 0 1)- In terms of sulfidation, M8C12 and MC(0 0 1) display a stronger resistance than M14C13. The presence of comer or edge sites in the M14C13 nanocrystal favors the formation of MoSxCy, compounds. Following Sabatier's principle, our results suggest that flat MC(00 1) surfaces are too inert to catalyze HDS reactions, while M14C13 is too active to resist the sulfidation that leads to degradation of the carbides. For reactions involving sulfur and sulfur-containing molecules, nanoparticles adopting the special geometry of metcars should display a better catalytic activity than the corresponding bulk materials and carbide nanoparticles that have a cubic-based structure like nanocrystals. Indeed, DFT calculations indicate that Ti8C12 and Mo8C12 are good catalysts for the HDS of thiophene. (c) 2005 Elsevier B.V. All rights reserved. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Rodriguez, JA (reprint author), Brookhaven Natl Lab, Dept Chem, Bldg 555, Upton, NY 11973 USA. EM rodrigez@bnl.gov RI Muckerman, James/D-8752-2013 NR 62 TC 37 Z9 39 U1 3 U2 31 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1381-1169 J9 J MOL CATAL A-CHEM JI J. Mol. Catal. A-Chem. PD SEP 14 PY 2005 VL 239 IS 1-2 BP 116 EP 124 DI 10.1016/j.molcata.2005.06.002 PG 9 WC Chemistry, Physical SC Chemistry GA 957VI UT WOS:000231401000018 ER PT J AU Pindzola, MS Robicheaux, F Colgan, J AF Pindzola, MS Robicheaux, F Colgan, J TI Electron-impact ionization of H-2(+) using a time-dependent close-coupling method SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID INTERMEDIATE ENERGIES; CROSS-SECTIONS; COLLISIONS; IONS AB The first application of the time-dependent close-coupling method to electron-molecule scattering is used to calculate electron-impact ionization cross sections for H-2(+). The time-dependent Schrodinger equation for the six-dimensional wavefunction is reduced to a set of close-coupled equations on a four-dimensional numerical lattice in (r(1), theta(1), r(2), theta(2)) centre-of-mass spherical polar coordinates. When the non-perturbative close-coupling results for low lM angular momenta are combined with perturbative distorted-wave results for high lM angular momenta, the resulting ab initio ionization cross sections are found to be in excellent agreement with experimental measurements in the intermediate energy range. C1 Auburn Univ, Dept Phys, Auburn, AL 36849 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Pindzola, MS (reprint author), Auburn Univ, Dept Phys, Auburn, AL 36849 USA. RI Robicheaux, Francis/F-4343-2014; OI Robicheaux, Francis/0000-0002-8054-6040; Colgan, James/0000-0003-1045-3858 NR 11 TC 18 Z9 18 U1 0 U2 1 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 SEP 14 PY 2005 VL 38 IS 17 BP L285 EP L290 DI 10.1088/0953-4075/38/17/L02 PG 6 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 972VN UT WOS:000232481400002 ER PT J AU Zhang, JL Vukmirovic, MB Sasaki, K Nilekar, AU Mavrikakis, M Adzic, RR AF Zhang, JL Vukmirovic, MB Sasaki, K Nilekar, AU Mavrikakis, M Adzic, RR TI Mixed-metal Pt monolayer electrocatalysts for enhanced oxygen reduction kinetics SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID O-2 REDUCTION; ADSORPTION; NANOPARTICLES C1 Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA. Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. RP Mavrikakis, M (reprint author), Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA. EM manos@engr.wisc.edu; adzic@bnl.gov RI Nilekar, Anand/B-3325-2008; Mavrikakis, Manos/D-5702-2012 OI Mavrikakis, Manos/0000-0002-5293-5356 NR 14 TC 366 Z9 370 U1 30 U2 224 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 SEP 14 PY 2005 VL 127 IS 36 BP 12480 EP 12481 DI 10.1021/ja053695i PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 966RQ UT WOS:000232039100024 PM 16144382 ER PT J AU Korlann, SD Riley, AE Kirsch, BL Mun, BS Tolbert, SH AF Korlann, SD Riley, AE Kirsch, BL Mun, BS Tolbert, SH TI Chemical tuning of the electronic properties in a periodic surfactant-templated nanostructured semiconductor SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MESOPOROUS SILICA; MESOSTRUCTURED SEMICONDUCTORS; OPTICAL-PROPERTIES; MOLECULAR-SIEVES; THIN-FILMS; PORE ORGANIZATION; GERMANIUM SULFIDE; HEXAGONAL ORDER; ZIRCONIUM-OXIDE; METAL-OXIDES AB In this work, we report the synthesis and characterization of a series of hexagonal nanostructured platinum/tin/tellurium inorganic/surfactant composites. The composites are formed through solution-phase self-assembly of SnTe(4)(4-) Zintl dusters, which are cross-linked with platinum salts in the presence of a cetyltriethylammonium cationic structure directing agent. The cross-linking utilizes various combinations of Pt(II) and Pt(IV) salts. Low-angle X-ray diffraction indicates that all composites form hexagonal honeycomb (p6mm) structures. A combination of elemental analysis and XANES is used to describe the composition and oxidation states within the composites. We find that the extent of tin telluride self-oligomerization and the platinum:tin telluride ratio both vary, indicating that the composite compensates for different platinum oxidation states by tuning the inorganic composition. Near-IR/visible reflectance spectroscopy and UPS can be used to measure both band gaps and absolute band energies. The results show that while moving from all Pt(II) to all Pt(IV) increases the band gap from 0.6 to 0.8 eV, it increases the absolute valence and conduction band energies by almost a full electronvolt. AC impedance spectroscopy further reveals that the conductivities of the materials can be tuned from 0.009 to 0.003 Omega (1).cm (-1). Additionally, a capacitance arising from the periodic nanoscale organic domains was observed. The conductivity and band gap were used to estimate carrier mobilities in these composites. Chemical tuning of the electronic properties within related nanostructured composites is a useful tool for designing applications that exploit the properties of nanostructured semiconductors. C1 Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Tolbert, SH (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, 405 Hilgard Ave, Los Angeles, CA 90095 USA. EM tolbert@chem.ucla.edu RI Mun, Bongjin /G-1701-2013; Tolbert, Sarah/L-2321-2016 NR 70 TC 30 Z9 30 U1 2 U2 23 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 SEP 14 PY 2005 VL 127 IS 36 BP 12516 EP 12527 DI 10.1021/ja045446k PG 12 WC Chemistry, Multidisciplinary SC Chemistry GA 966RQ UT WOS:000232039100041 PM 16144399 ER PT J AU Huynh, MHV Hiskey, MA Chavez, DE Naud, DL Gilardi, RD AF Huynh, MHV Hiskey, MA Chavez, DE Naud, DL Gilardi, RD TI Synthesis, characterization, and energetic properties of diazido heteroaromatic high-nitrogen C-N compound SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID RICH CARBON NITRIDES; S-TETRAZINE; DERIVATIVES; PRECURSOR; 3,3'-AZOBIS(6-AMINO-1,2,4,5-TETRAZINE); MOLECULES; CHEMISTRY; BEHAVIOR; AZIDE AB The synthesis, characterization, and energetic properties of diazido heteroaromatic high-nitrogen C-N compound, 3,6-diazido-1,2,4,5-tetrazine (DiAT), are reported. Its normalized heat of formation (N Delta H-f), experimentally determined using an additive method, is shown to be the highest positive N Delta H-f compared to all other organic molecules. The unexpected azido-tetrazolo tautomerizations and irreversible tetrazolo transformation of DiAT are remarkable compared to all other polyazido heteroaromatic high-nitrogen C-N compounds, for example, 2,4,6-triazido-1,3,5-triazine; 4,4',6,6'-tetra(azido)hydrazo-1,3,5-triazine; 4,4',6,6'-tetra(azido)azo-1,3,5-triazine; and 2,5,8-tri(azido)-1,3,4,6,7,9,9b-heptaazaphenalene (heptazine). C1 Los Alamos Natl Lab, Dynam Experimentat Div, Los Alamos, NM 87545 USA. USN, Res Lab, Struct Matter Lab, Washington, DC 20375 USA. RP Huynh, MHV (reprint author), Los Alamos Natl Lab, Dynam Experimentat Div, DX-2,MS C920, Los Alamos, NM 87545 USA. EM huynh@lanl.gov; hiskey@lanl.gov NR 45 TC 199 Z9 220 U1 2 U2 40 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 SEP 14 PY 2005 VL 127 IS 36 BP 12537 EP 12543 DI 10.1021/ja0509735 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 966RQ UT WOS:000232039100043 PM 16144401 ER PT J AU Cahoon, JF Kling, MF Schmatz, S Harris, CB AF Cahoon, JF Kling, MF Schmatz, S Harris, CB TI 19-Electron intermediates and cage-effects in the photochemical disproportionation of [CpW(CO)(3)](2) with Lewis bases SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID RESOLVED INFRARED-SPECTROSCOPY; METAL CARBONYL DERIVATIVES; UNPAIRED ELECTRON-DENSITY; ORGANOMETALLIC COMPLEXES; HEXACARBONYL COMPLEXES; SUBSTITUTION-REACTIONS; PHOSPHORUS LIGANDS; FUNCTIONAL THEORY; ROOM-TEMPERATURE; 17-ELECTRON AB The role of 19-electron intermediates in the photochemical disproportionation of [CpW(CO)(3)](2) (Cp = C5H5) with Lewis bases (PR3; R = OMe, Bu, Ph) is investigated on the ultrafast time scale using femtosecond VIS-pump, IR-probe spectroscopy. Formation of a 19-electron (19e) species CpW(CO)(3)PR3 center dot by coordination of PR3 with photogenerated 17-electron (17e) radicals CpW(CO)(3)(center dot) is directly observed, and equilibrium is established between the 17e radicals and the 19e intermediates favoring 19e intermediates in the order: Bu > OMe >> Ph. Steric effects dominate the 17e/19e equilibrium when the cone-angle of the Lewis base exceeds a certain limiting value (between 132 degrees and 145 degrees), but below this value electronic properties of the Lewis base control the 17e/19e dynamics. Disproportionation occurs in less than 200 picoseconds by electron transfer between a solvent caged 17e radical and 19e, highly reducing species. The rate and extent of ultrafast disproportionation depends on both the identity and concentration of the Lewis base. In low concentrations of PR3 (typically 1-2 M or less) or with Lewis bases whose equilibrium heavily favors 17e radicals (e.g., PPh3), disproportionation is rate-limited by breakdown of the solvent cage. Density functional theory calculations on vibrational frequencies and charge distributions of the various complexes support the experimental results. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Gottingen, Inst Chem Phys, D-37077 Gottingen, Germany. RP Harris, CB (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM cbharris@berkeley.edu RI Kling, Matthias/D-3742-2014 NR 59 TC 21 Z9 21 U1 2 U2 5 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 SEP 14 PY 2005 VL 127 IS 36 BP 12555 EP 12565 DI 10.1021/ja052221g PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 966RQ UT WOS:000232039100045 PM 16144403 ER PT J AU Karshtedt, D Bell, AT Tilley, TD AF Karshtedt, D Bell, AT Tilley, TD TI Platinum-based catalysts for the hydroamination of olefins with sulfonamides and weakly basic anilines SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID ANTI-MARKOVNIKOV HYDROAMINATION; INTERMOLECULAR HYDROAMINATION; UNACTIVATED OLEFINS; OXIDATIVE AMINATION; INTRAMOLECULAR HYDROAMINATION; SECONDARY ALKYLAMINES; HOMOGENEOUS CATALYSIS; ACTIVATED OLEFINS; H ACTIVATION; ALKENES AB Electrophilic Pt(II) complexes catalyze efficient hydroaminations of olefins by sufforiamides and weakly basic anilines. Catalysts include the structurally characterized complex (COD)Pt(OTf)(2) (1) and the known dimer [PtCl2(C2H4)](2), activated by AgBF4. Experiments with substituted anilines establish an empirical pK(a) cutoff (conjugate acid pKa < 1) for the participation of nitrogen-containing substrates in this catalysis, Arylsulfonamides (conjugate acid pK(a). approximate to -6) with various para substituents hydroaminate olefins such as cyclohexene in yields greater than 95% at 90 degrees C. Hydroamination of propylene by p-toluenesulfonamide proceeds with Markovnikov selectivity, suggesting a mechanism that involves olefin activation at Pt. With norbornene and p-toluenesulfonamide as the substrates and 1 as the catalyst, intermediate [(COD)Pt(norbornene)(2)][OTf](2) (3) was identified and characterized by F-19 and Pt-195 NMR spectroscopies and mass spectrometry. Kinetic studies provide the empirical rate law, rate = k(obs)[Pt][sulfonamide], and are consistent with: a mechanism in which attack of a sulfonamide on the Pt-coordinated olefin is the rate-determining step. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Tilley, TD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM tdtilley@berkeley.edu OI Bell, Alexis/0000-0002-5738-4645 NR 59 TC 136 Z9 136 U1 4 U2 28 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 SEP 14 PY 2005 VL 127 IS 36 BP 12640 EP 12646 DI 10.1021/ja052836d PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 966RQ UT WOS:000232039100054 PM 16144412 ER PT J AU Appel, AM DuBois, DL DuBois, MR AF Appel, AM DuBois, DL DuBois, MR TI Molybdenum-sulfur dimers as electrocatalysts for the production of hydrogen at low overpotentials SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID FE-ONLY HYDROGENASES; SULFIDO LIGANDS; ACTIVE-SITE; HYDROTREATING CATALYSTS; DEUTERIUM TRACER; PROTON-TRANSFER; COMPLEXES; ACTIVATION; IRON; EVOLUTION AB (CpMo mu-S)(2)S2CH2, 2, and related derivatives serve as electrocatalysts for the reduction of protons with current efficiencies near 100%. The kinetics of the electrochemical reduction process has been studied, and the effects of varying the proton source, the solvent, the cyclopentadienyl substituents, and the sulfur substituents on the catalyst have been examined. The reduction of excess p-cyanoanilinium tetrafluoroborate under a hydrogen atmosphere in 0.3 M Et4NBF4/acetonitrile buffered at pH 7.6 is catalyzed by 2 at -0.64 V versus ferrocene, with an overpotential of 120 mV. Protonation of the sulfido ligand in 2 is an initial step in the catalytic process, and the rate-determining step at high acid concentrations appears to be the elimination of dihydrogen. The elimination may occur either from adjacent hydrosulfido sites or from a hydrosulfido-molybdenum hydride intermediate. C1 Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP DuBois, DL (reprint author), Univ Colorado, Dept Chem & Biochem, Campus Box 215, Boulder, CO 80309 USA. EM Mary.Rakowski-DuBois@colorado.edu OI Appel, Aaron/0000-0002-5604-1253 NR 65 TC 116 Z9 116 U1 2 U2 36 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 SEP 14 PY 2005 VL 127 IS 36 BP 12717 EP 12726 DI 10.1021/ja054034o PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 966RQ UT WOS:000232039100064 PM 16144422 ER PT J AU Yin, L Winske, D Daughton, W Coroniti, FV AF Yin, L Winske, D Daughton, W Coroniti, FV TI Dissipation in oblique slow shocks SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID DISTANT GEOMAGNETIC TAIL; ION-CYCLOTRON INSTABILITY; MODE SHOCKS; MAGNETIC RECONNECTION; HYBRID SIMULATIONS; COLLISIONLESS RECONNECTION; MAGNETOTAIL RECONNECTION; EARTHS MAGNETOTAIL; KINETIC STRUCTURE; PRESSURE TENSOR AB Ion and electron dynamics and dissipation in collisionless slow mode shocks are examined using one-dimensional hybrid (kinetic ions, massless fluid electrons) and full particle (kinetic ions and electrons) simulations. In the hybrid code, two types of electron fluid models are used to determine the role of electrons: an adiabatic electron fluid model, which uses a scalar electron pressure, and the electron pressure tensor model, in which effects of the downstream electron temperature anisotropy with respect to the local magnetic field direction can be modeled. Comparing results from full particle and hybrid simulations that use an adiabatic electron fluid, the dynamics of slow shocks with the shock normal angle theta(Bn) ranging from moderate to very oblique (60 degrees-84 degrees) are explored for the upstream ion and electron beta value of 0.1. At moderate theta(Bn), the two types of simulations give comparable results, and the shock dissipation is provided primarily by the ions. However, as theta(Bn) increases, more significant differences are found between the two types of simulations, which indicates that the ion dissipation alone is inadequate to set up the shock and that additional electron physics is needed. At highly oblique theta(Bn), the downstream electron temperature becomes anisotropic (T-parallel to(e) > T-perpendicular to(e)) in full particle simulations, similar to that observed for the ion plasma in both type of simulations, while the electron inertial effects are negligible. The electron anisotropy results from both the large mirror effects and the electron acceleration/heating by the parallel electric field of very obliquely propagating kinetic Alfven waves excited by ion-ion streaming in the shock. The additional electron dynamics in the wave fields lead to spiky structures in the shock ramp in the density and the ion and electron parallel temperature/pressure. We present hybrid simulations of very oblique slow shocks (theta(Bn) = 84 degrees) that retain the electron pressure tensor calculations. Results show that the inclusion of the downstream electron temperature anisotropy and of the resulting quasi-viscous effects in hybrid methods allows slow shocks to be set up at very oblique angles, as observed in the distant tail, when dissipation from ion-ion streaming becomes much weaker. C1 Los Alamos Natl Lab, Div Appl Phys, Los Alamos, NM 87545 USA. Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. RP Yin, L (reprint author), Los Alamos Natl Lab, Div Appl Phys, Mail Stop B259, Los Alamos, NM 87545 USA. EM lyin@lanl.gov; winske@lanl.gov; william-daughton@uiowa.edu; coroniti@physics.ucla.edu RI Daughton, William/L-9661-2013 NR 42 TC 2 Z9 2 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 SEP 13 PY 2005 VL 110 IS A9 AR A09218 DI 10.1029/2005JA011031 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 967SS UT WOS:000232112100001 ER PT J AU Zhang, J Dong, JH Luo, M Xiao, H Murad, S Normann, RA AF Zhang, J Dong, JH Luo, M Xiao, H Murad, S Normann, RA TI Zeolite-fiber integrated optical chemical sensors for detection of dissolved organics in water SO LANGMUIR LA English DT Article ID FILMS; NANOCOMPOSITES; MEMBRANES AB MFI zeolite coated optical fiber sensors have been developed for in situ detection of dissolved organics in water. The sensors operate by monitoring the optical reflectivity changes caused by the selective adsorption of organic molecules, i.e., 2-propanol or pentanoic acid in this study, from aqueous solutions in the zeolitic pores. Reversible and monotonic sensor signals were observed in response to the variation of 2-propanol concentration in water with fast response. However, the sensor exhibited a much slower response to pentanoic acid than to 2-propanol. It was also found that substitution of Si by Al in the MFI framework increased the adsorption of pentanoic acid that resulted in enhanced sensor responses. C1 New Mexico Inst Min & Technol, Dept Elect Engn, Socorro, NM 87801 USA. New Mexico Inst Min & Technol, Dept Petr & Chem Engn, Socorro, NM 87801 USA. New Mexico Inst Min & Technol, New Mexico Petr Recovery Res Ctr, Socorro, NM 87801 USA. Univ Illinois, Dept Chem Engn, Chicago, IL 60607 USA. Sandia Natl Labs, Geothermal Res Div, Albuquerque, NM 87185 USA. RP New Mexico Inst Min & Technol, Dept Elect Engn, Socorro, NM 87801 USA. EM xiao@nmt.edu RI Murad, Sohail /B-3311-2009 NR 19 TC 35 Z9 35 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD SEP 13 PY 2005 VL 21 IS 19 BP 8609 EP 8612 DI 10.1021/la0514967 PG 4 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 963FS UT WOS:000231789800012 PM 16142937 ER PT J AU Eaves, JD Loparo, JJ Fecko, CJ Roberts, ST Tokmakoff, A Geissler, PL AF Eaves, JD Loparo, JJ Fecko, CJ Roberts, ST Tokmakoff, A Geissler, PL TI Hydrogen bonds in liquid water are broken only fleetingly SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE femtosecond 2D IR spectroscopy; molecular dynamics; liquids ID ULTRAFAST INFRARED-SPECTROSCOPY; ECHO CORRELATION SPECTROSCOPY; NETWORK MODEL; DYNAMICS; DEPENDENCE; SPECTRA; TIME; D2O AB Although it is widely accepted that the local structure of liquid water has tetrahedral arrangements of molecules ordered by hydrogen bonds, the mechanism by which water molecules switch hydrogen-bonded partners remains unclear. In this mechanism, the role of nonhydrogen-bonded configurations (NHBs) between adjacent molecules is of particular importance. A molecule may switch hydrogen-bonding partners either (i) through thermally activated breaking of a hydrogen bond that creates a dangling hydrogen bond before finding a new partner or (ii) by infrequent but rapid switching events in which the NHB is a transition state. Here, we report a combination of femtosecond 2D IR spectroscopy and molecular dynamics simulations to investigate the stability of NHB species in an isotopically dilute mixture of HOD in D2O-Measured 2D IR spectra reveal that hydrogen-bonded configurations and NHBs undergo qualitatively different relaxation dynamics, with NHBs returning to hydrogen-bonded frequencies on the time scale of water's fastest intermolecular motions. Simulations of an atomistic model for the OH vibrational spectroscopy of water yield qualitatively similar 2D IR spectra to those measured experimentally. Analysis of NHBs in simulations by quenching demonstrates that the vast majority of NHBs are in fact part of a hydrogen-bonded well of attraction and that virtually all molecules return to a hydrogen-bonding partner within 200 fs. The results from experiment and simulation demonstrate that NHBs are intrinsically unstable and that dangling hydrogen bonds are an insignificant species in liquid water. C1 MIT, Dept Chem, Cambridge, MA 02139 USA. MIT, George R Harrison Spect Lab, Cambridge, MA 02139 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Phys Biosci & Mat Sci Div, Berkeley, CA 94720 USA. RP Tokmakoff, A (reprint author), MIT, Dept Chem, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM tokmakof@mit.edu RI Roberts, Sean/I-2853-2013; OI Roberts, Sean/0000-0002-3322-3687 NR 28 TC 311 Z9 314 U1 8 U2 104 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 SEP 13 PY 2005 VL 102 IS 37 BP 13019 EP 13022 DI 10.1073/pnas.0505125102 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 964YG UT WOS:000231916300005 PM 16135564 ER PT J AU Cary, SPL Winger, JA Marletta, MA AF Cary, SPL Winger, JA Marletta, MA TI Tonic and acute nitric oxide signaling through soluble guanylate cyclase is mediated by nonheme nitric oxide, ATP, and GTP SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE heme; nucleotide regulation ID MYOCARDIAL-FUNCTION; HEME; NO; ACTIVATION; YC-1; CONSOLIDATION; LOCALIZATION; DISSOCIATION; HEMOGLOBIN; RESPONSES AB Nitric oxide (NO) affects many physiological systems by activating cGMP signaling cascades through soluble guanylate cyclase (sGC). In the accepted model, NO binds to the sGC heme, activating the enzyme. Here, we report that in the presence of physiological concentrations of ATP and GTP, NO dissociation from the sGC heme is approximate to 160 times slower than the rate of enzyme deactivation in vitro. Deactivated sGC still has NO bound to the heme, and full activation requires additional NO. We propose an activation model where, in the presence of both ATP and GTP, tonic NO forms a stable heme complex with low sGC activity; acute production of NO transiently and fully activates this NO-bound sGC. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. Univ Michigan, Dept Biol Chem, Ann Arbor, MI 48109 USA. Univ Michigan, Dept Med Chem, Ann Arbor, MI 48109 USA. Lawrence Berkeley Lab, Div Phys Biosci, Berkeley, CA 94720 USA. RP Marletta, MA (reprint author), Univ Calif Berkeley, Dept Chem, 211 Lewis Hall, Berkeley, CA 94720 USA. EM marletta@berkeley.edu RI Winger, Jonathan/B-3885-2010 OI Winger, Jonathan/0000-0003-1413-3384 NR 42 TC 75 Z9 82 U1 0 U2 4 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 SEP 13 PY 2005 VL 102 IS 37 BP 13064 EP 13069 DI 10.1073/pnas.0506289102 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 964YG UT WOS:000231916300013 PM 16131543 ER PT J AU Yang, JH Henao, JD Costello, C Kung, MC Kung, HH Miller, JT Kropf, AJ Kim, JG Regalbuto, JR Bore, MT Pham, HN Datye, AK Laeger, JD Kharas, K AF Yang, JH Henao, JD Costello, C Kung, MC Kung, HH Miller, JT Kropf, AJ Kim, JG Regalbuto, JR Bore, MT Pham, HN Datye, AK Laeger, JD Kharas, K TI Understanding preparation variables in the synthesis of Au/Al2O3 using EXAFS and electron microscopy SO APPLIED CATALYSIS A-GENERAL LA English DT Article ID TEMPERATURE CO OXIDATION; SUPPORTED AU CATALYSTS; GOLD NANOPARTICLES; IMPREGNATION; AU/GAMMA-AL2O3; CHEMISORPTION; MORPHOLOGY; SPECIATION; MOISTURE; CHLORIDE AB The catalytic performance of Au/Al2O3 catalyst is highly sensitive to preparation procedure. EXAFS and TEM characterization of key steps in the preparation in conjunction with activity measurements result in deeper insights into precautions needed and the complex manner residual chloride impacts catalytic activity. Chloride affects the morphological (Au particle size), chemical (reducibility) as well as the catalytic (poisoning) properties of Au. Alternate preparation procedures to the conventional calcination of a catalyst prepared with deposition-precipitation at neutral pH were explored to increase Au loadings. It was found that low temperature H-2 reduction of a catalyst prepared at low pH but washed with NaOH is an effective preparation method. (c) 2005 Published by Elsevier B.V. C1 Soonchunhyang Univ, Dept Chem Engn, Asan 561756, South Korea. Northwestern Univ, Dept Chem Engn, Evanston, IL 60208 USA. BP Res Ctr, Naperville, IL 60563 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Univ Illinois, Dept Chem Engn, Chicago, IL 60607 USA. Univ New Mexico, Dept Chem Engn, Albuquerque, NM 87131 USA. Delphi Catalyst, Tulsa, OK 74158 USA. RP Soonchunhyang Univ, Dept Chem Engn, Asan 561756, South Korea. EM M-kung@northwestern.edu RI Kung, Mayfair/B-7648-2009; Kung, Harold/B-7647-2009; ID, MRCAT/G-7586-2011; OI Datye, Abhaya/0000-0002-7126-8659 NR 27 TC 41 Z9 41 U1 1 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0926-860X EI 1873-3875 J9 APPL CATAL A-GEN JI Appl. Catal. A-Gen. PD SEP 12 PY 2005 VL 291 IS 1-2 BP 73 EP 84 DI 10.1016/j.apcata.2004.11.052 PG 12 WC Chemistry, Physical; Environmental Sciences SC Chemistry; Environmental Sciences & Ecology GA 961HA UT WOS:000231651300011 ER PT J AU Chen, P Lau, SS Chu, PK Henttinen, K Suni, T Suni, I Theodore, ND Alford, TL Mayer, JW Shao, L Nastasi, M AF Chen, P Lau, SS Chu, PK Henttinen, K Suni, T Suni, I Theodore, ND Alford, TL Mayer, JW Shao, L Nastasi, M TI Silicon layer transfer using plasma hydrogenation SO APPLIED PHYSICS LETTERS LA English DT Article ID ON-INSULATOR; ION-IMPLANTATION AB In this work, we demonstrate a novel approach for the transfer of Si layers onto handle wafers, induced by plasma hydrogenation. In the conventional ion-cut process, hydrogen ion implantation is used to initiate layer delamination at a desired depth, which leads to ion damage in the transferred layer. In this study, we investigated the use of plasma hydrogenation to achieve high-quality layer transfer. To place hydrogen atoms introduced during plasma hydrogenation at a specific depth, a uniform trapping layer for H atoms must be prepared in the substrate before hydrogenation. The hydrogenated Si wafer was then bonded to another Si wafer coated with a thermal oxide, followed by thermal annealing to induce Si layer transfer. Cross-section transmission electron microscopy showed that the transferred Si layer was relatively free of lattice damage. The H trapping during plasma hydrogenation, and the subsequent layer delamination mechanism, are discussed. These results show direct evidence of the feasibility of using plasma hydrogenation to transfer relatively defect-free Si layers. (c) 2005 American Institute of Physics. C1 Univ Calif San Diego, Dept Elect & Comp Engn, La Jolla, CA 92093 USA. City Univ Hong Kong, Dept Phys & Mat Sci, Kowloon, Hong Kong, Peoples R China. VTT Informat Technol, Espoo 02150, Finland. Freescale Semicond Inc, Adv Prod R&D Lab, Tempe, AZ 85284 USA. Arizona State Univ, Dept Chem & Mat Engn, Tempe, AZ 85287 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Chen, P (reprint author), Univ Calif San Diego, Dept Elect & Comp Engn, La Jolla, CA 92093 USA. EM pchen@ece.ucsd.edu RI Chen, Peng/H-3384-2012; Chu, Paul/B-5923-2013 OI Chu, Paul/0000-0002-5581-4883 NR 14 TC 7 Z9 7 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD SEP 12 PY 2005 VL 87 IS 11 AR 111910 DI 10.1063/1.2048811 PG 3 WC Physics, Applied SC Physics GA 963KC UT WOS:000231802200019 ER PT J AU Kang, JK Kim, SY Han, YS Muller, RP Goddard, WA AF Kang, JK Kim, SY Han, YS Muller, RP Goddard, WA TI A candidate LiBH4 for hydrogen storage: Crystal structures and reaction mechanisms of intermediate phases SO APPLIED PHYSICS LETTERS LA English DT Article ID CARBON NANOTUBES; ELECTRON-GAS; ENERGY; LIALH4 AB First-principles calculation and x-ray diffraction simulation methods have been used to explore crystal structures and reaction mechanisms of the intermediate phases involved in dehydriding of LiBH4. LiBH4 was found to dehydride via two sequential steps: first dehydriding through LiBH, followed by the dehydriding of LiBH through LiB. The first step, which releases 13.1 wt. % hydrogen, was calculated to have an activation barrier of 2.33 eV per formula unit and was endothermic by 1.28 eV per formula unit, while the second step was endothermic by 0.23 eV per formula unit. On the other hand, if LiBH4 and LiBH each donated one electron, possibly to the catalyst doped on their surfaces, it was found that the barrier for the first step was reduced to 1.50 eV. This implies that the development of the catalyst to induce charge migration from the bulk to the surface is essential to make LiBH4 usable as a hydrogen storage material in a moderate temperature range, which is also important to stabilize the low-temperature structure of Pnma (no. 62) LiBH on dehydrogenation. Consequently, the high 13.1 wt. % hydrogen available from the dehydriding of LiBH4 and LiBH and their phase stability on Pnma when specific catalysts were used suggest that LiBH4 has good potential to be developed as the hydrogen storage medium capable of releasing the Department of Energy target of 6.5 wt. % for a hydrogen fuel cell car in a moderate temperature range. (c) 2005 American Institute of Physics. C1 Korea Adv Inst Sci & Technol, Dept Mat Sci & Engn, Taejon 305701, South Korea. LG Elect, Inst Technol, Devices & Mat Lab, Seoul 137724, South Korea. Sandia Natl Labs, Albuquerque, NM 87185 USA. CALTECH, Mat & Proc Simulat Ctr, Pasadena, CA 91125 USA. RP Korea Adv Inst Sci & Technol, Dept Mat Sci & Engn, Taejon 305701, South Korea. EM jeungku@kaist.ac.kr RI Kang, Jeung ku/C-1610-2011 NR 22 TC 61 Z9 61 U1 3 U2 21 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 SEP 12 PY 2005 VL 87 IS 11 AR 111904 DI 10.1063/1.2042632 PG 3 WC Physics, Applied SC Physics GA 963KC UT WOS:000231802200013 ER PT J AU Liu, Y Beene, JR Havener, CC Liang, JF AF Liu, Y Beene, JR Havener, CC Liang, JF TI Isobar suppression by photodetachment in a gas-filled rf quadrupole ion guide SO APPLIED PHYSICS LETTERS LA English DT Article ID NEGATIVE-IONS; BEAMS/ AB A technique based on selective nonresonant laser photodetachment of unwanted negative ion species has been developed for efficient suppression of isobaric contaminants in negative ion beams. A radio-frequency quadrupole ion guide is employed to cool the negative ion beam and dramatically increase the interaction time of the ions with the laser, substantially increasing the efficiency of the photodetachment process. In a proof-of-principle experiment, we achieved 95% suppression of Co-59(-) ions by photodetachment while under identical conditions 10% of Ni-58(-) ions were neutralized. C1 Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Liu, Y (reprint author), Oak Ridge Natl Lab, Div Phys, POB 2008, Oak Ridge, TN 37831 USA. NR 8 TC 21 Z9 21 U1 0 U2 0 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 SEP 12 PY 2005 VL 87 IS 11 AR 113504 DI 10.1063/1.2046732 PG 3 WC Physics, Applied SC Physics GA 963KC UT WOS:000231802200063 ER PT J AU Umnov, AG Korovyanko, OJ AF Umnov, AG Korovyanko, OJ TI Photovoltaic effect in poly-dioctyl-phenylene-ethynylene-C-60 cells upon donor and acceptor excitation SO APPLIED PHYSICS LETTERS LA English DT Article ID OPEN-CIRCUIT VOLTAGE; PLASTIC SOLAR-CELLS; HETEROJUNCTIONS; PHOTODIODES; POLYMERS; DEVICES; BLENDS AB We studied photovoltaic effect in poly-dioctyl-phenylene-ethynylene (PPE)-C-60 cells using photovoltage and photocurrent spectroscopy. We observe two-step photoexcitation dependence of open circuit voltage V-oc. Two values of V-oc are due to different Coulomb binding energies for carriers originated from excitons in PPE and C-60. Due to built-in potential between PPE and C-60 layers, carriers overcome this exciton binding energy and separate at the heterojunction. We describe our results by energy diagram, comparing exciton binding energies in donor and acceptor moieties. C1 Fujitsu Labs Ltd, Richardson, TX 75082 USA. Univ Utah, Dept Phys, Salt Lake City, UT 84112 USA. RP Korovyanko, OJ (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ojk@anl.gov NR 24 TC 10 Z9 10 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD SEP 12 PY 2005 VL 87 IS 11 AR 113506 DI 10.1063/1.2048817 PG 3 WC Physics, Applied SC Physics GA 963KC UT WOS:000231802200065 ER PT J AU Horgan, FG AF Horgan, FG TI Effects of deforestation on diversity, biomass and function of dung beetles on the eastern slopes of the Peruvian Andes SO FOREST ECOLOGY AND MANAGEMENT LA English DT Article DE biomass; deforestation; diversity; dung beetles; ecosystem function; habitat change; Scarabaeidae ID SECONDARY SEED DISPERSERS; FOREST FRAGMENTATION; COPROPHAGOUS BEETLES; RAIN-FOREST; ECOSYSTEM PROCESSES; CATTLE DUNG; BIODIVERSITY; SCARABAEIDAE; COLEOPTERA; BURIAL AB Dung beetles play a major role in nutrient cycling in the tropics. While a number of studies have indicated decreasing diversity of dung beetles as a result of deforestation, scant information exists on the implications of this for decomposition. This study compares clung beetle assemblages at forest and deforested sites on the eastern slopes of the Peruvian Andes and examines the importance of species richness and assemblage biomass in the decomposition of standardized dung pats. Results from pitfall trapping indicated that species richness, assemblage biomass and the number of beetles arriving at dung pats were greater at forest sites than at deforested sites. Although dung removal was generally faster at forest sites, between 50 and 100% of each 100 ml pat was removed within 3 days at all sites. Dung remained attractive to beetles for longer at forest sites, where it remained moister, than at the deforested sites. Dung beetle activity significantly reduced the number of flies emerging from dung. In an observation of decomposition of 96 separate dung pats, dung disappearance after 24 h was more frequently and more closely related to total assemblage biomass than to species richness. This study indicates that deforestation results in a reduced efficiency in decomposition by clung beetles that can be attributed mainly to reduced assemblage biomass at individual dung pats. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ New Brunswick, Dept Biol, Populat Ecol Grp, Fredericton, NB E3B 6C2, Canada. RP Horgan, FG (reprint author), TEAGASC, Oak Pk Res Ctr, Carlow, Co Carlow, Ireland. EM fhorgan@oakpark.teagasc.ie NR 52 TC 38 Z9 44 U1 1 U2 19 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 SEP 12 PY 2005 VL 216 IS 1-3 BP 117 EP 133 DI 10.1016/j.foreco.2005.05.049 PG 17 WC Forestry SC Forestry GA 990KS UT WOS:000233742400010 ER PT J AU Vecchi, PA Alvarez, CM Ellern, A Angelici, RJ Sygula, A Sygula, R Rabideau, PW AF Vecchi, PA Alvarez, CM Ellern, A Angelici, RJ Sygula, A Sygula, R Rabideau, PW TI Flattening of a curved-surface buckybowl (corannulene) by eta(6) coordination to {Cp*Ru}(+) SO ORGANOMETALLICS LA English DT Article ID TO-BOWL INVERSION; TRANSITION-METAL-COMPLEXES; ORBITAL AXIS VECTOR; ELECTRONIC COMMUNICATION; FULLERENE COMPLEXES; MOLECULAR-STRUCTURE; SANDWICH-COMPLEX; 3 DIMENSIONS; C-60; BUCKMINSTERFULLERENE AB The corannulene complex [C-p*Ru(eta(6)-C20H10)](+) (3(+); where Cp* = eta(5)-C5Me5), prepared by the reaction of [Cp* Ru(mu(3)-Cl)](4) with Ag+ and the curved-surface buckybowl C20H10 (1), has a structure in which the bowl is slightly flattened as compared with the case for free corannulene. The corannulene unit in the [(Cp*Ru)(2)(mu(2)-eta(6):eta(6)-C20H10)][PF6](2)), containing two eta(6)-{Cp*Ru}(+) units coordinated on opposite sides of the corannulae, is flattened substantiall more. The X-ray-determined structure od the corresponding SbF6- salt, [(Cp*Ru)(2)(mu(2)-eta(6):eta(6)-C20H10)][SbF6](2) (4[SbF6](2)), shows that the corranulene bowl is almost completely flat. Low-temperatures NMR studies of the analogous 1,2,5,6-tetrametylcoran-nulene complex [(Cp*Ru)(2)(mu(2)-eta(6):eta(6)-C20H6Me4](2+) (6(2+)) show that there is a very low barrier to inversion of the bowl, even at -90%degrees C. Computational investigations reproduce the major structural features of 3(+) and 4(2+) and account for the low corannulene inversion barrier in 4(2+). C1 Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Mississippi State Univ, Dept Chem, Mississippi State, MS 39762 USA. RP Angelici, RJ (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM angelici@iastate.edu RI Alvarez, Celedonio/E-6197-2010 OI Alvarez, Celedonio/0000-0003-4431-6501 NR 55 TC 46 Z9 46 U1 1 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0276-7333 J9 ORGANOMETALLICS JI Organometallics PD SEP 12 PY 2005 VL 24 IS 19 BP 4543 EP 4552 DI 10.1021/om0505458 PG 10 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA 963DT UT WOS:000231784200008 ER PT J AU Zi, GF Blosch, LL Jia, L Andersen, RA AF Zi, GF Blosch, LL Jia, L Andersen, RA TI Preparation and reactions of base-free bis (1,2,4-tri-tert-butylcyclopentadienyl) uranium methylimide, CP ' U-2=NMe, and related compounds SO ORGANOMETALLICS LA English DT Article ID VALENT ORGANOURANIUM COMPLEXES; INTERMOLECULAR HYDROAMINATION; CRYSTAL-STRUCTURES; FUNCTIONAL-GROUPS; TERMINAL ALKYNES; BEHAVIOR; AZIDES; SIME3 AB The uranium metallocenes [eta 5-1,3-(Me3E)(2)C5H3](2) UMe2 (E = C, Si) react with NH3 to give the dimers {[eta 5-1,3-Me3E)(2)C5H3](2)U}2(mu-NH)(2) (E = C(1), Si (2)) but with p-toluidine to give the monomeric diamides [eta(5)-1,3-(Me3E)(2)C5H3](2)U(NH-p-tolyl)(2) (E=C (3), Si (4)) do not eliminate p-toluidine but sublime intact at 140 degrees C in a vacuum. The uranium metallocene [eta 5-1,2,4-(Me3C)(3)C5H2](2)UMe2 reacts with the RNH2 to yield [eta(5)-1,2,4-(Me3C)(3)C5H2](2)U(NHR)(2) (R = Me (8), PhCH2 (9), p-tolyl (10)), which are isolated as crystalline solids. In benzene solution these diamides are in equilibrium with [eta(5)-1,2,4-(Me3C)(3)C5H2](2)U = NR2, which may be isolated pure when R is Me (11) or p-tolyl (12), and the primary amine. The monomeric imide (eta(5)-1,2,4-(Me3C)(3)C5H2](2)U = NMe (11) reacts with R'C &3bond; CR' to yield the cycloaddition products [eta(5)-1,2,4-(Me3C)(3)C5H2](2)U - [N(Me)C(R')] (R' = Me (15), Ph (16), which react with excess MeNH2 to regenerate the diamide [eta 5-1,2,4-(Me3C)(3)C5H2](2)U(NHMe)(2) (8) and MeN = C(R')CH(R'). The methylimide, [eta(5)-1,2,4-(Me3C)(3)C5H2](2)U = NMe (11), does not react with Me3SiX reagents; a model is proposed that rationalises this reactivity pattern. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Andersen, RA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Chem, Berkeley, CA 94720 USA. EM raandersen@lbl.gov NR 28 TC 50 Z9 50 U1 1 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0276-7333 J9 ORGANOMETALLICS JI Organometallics PD SEP 12 PY 2005 VL 24 IS 19 BP 4602 EP 4612 DI 10.1021/om050427k PG 11 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA 963DT UT WOS:000231784200015 ER PT J AU Carlsten, BE AF Carlsten, BE TI Modeling an emittance-dominated elliptical sheet beam with a 21/2-dimensional particle-in-cell code SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE beam dynamics; beam transport; microwave tubes AB Modeling a 3-dimensional (3-D) elliptical beam with a 21/2-D particle-in-cell (PIC) code requires a reduction in the beam parameters. The 21/2-D PIC code can only model the center slice of the sheet beam, but that can still provide useful information about the beam transport and distribution evolution, even if the beam is emittance dominated. The reduction of beam parameters and resulting interpretation of the simulation is straightforward, but not trivial. In this paper, we describe the beam parameter reduction and emittance issues related to the initial beam distribution. As a numerical example, we use the case of a sheet beam designed for use with a planar traveling-wave amplifier for high power generator for RF ranging from 95 to 300GHz [Carlsten et al., IEEE Trans. Plasma Sci. 33 (2005) 85]. These numerical techniques also apply to modeling high-energy elliptical bunches in RF accelerators. (c) 2005 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Carlsten, BE (reprint author), Los Alamos Natl Lab, MS H851, Los Alamos, NM 87545 USA. EM bcarlsten@lanl.gov NR 14 TC 4 Z9 4 U1 0 U2 0 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 SEP 11 PY 2005 VL 550 IS 1-2 BP 14 EP 26 DI 10.1016/j.nima.2005.04.074 PG 13 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 965QE UT WOS:000231964500003 ER PT J AU Smith, T Kunkle, J Castelaz, J Thomson, S Burstein, Z Bernstein, A Rosenberg, L Heffner, M King, J AF Smith, T Kunkle, J Castelaz, J Thomson, S Burstein, Z Bernstein, A Rosenberg, L Heffner, M King, J TI The effects of a hydrogen environment on the lifetime of small-diameter drift chamber anode wires SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE embrittlement; hydrogen; ultra-fine wire; lifetime; TPC ID HIGH-PRESSURE HYDROGEN; TUNGSTEN AB Possible deterioration of anode sense wires used in a hydrogen-filled neutron detector is investigated. Wires were loaded with free weights and put into a wire detector environment. Stainless steel, tungsten, and platinum wires did not break after exposure to charge equivalent to many wire lifetimes. Furthermore, exposure to hydrogen gas caused no noticeable surface degradation or change in wire yield strength. (c) 2005 Elsevier B.V. All rights reserved. C1 Harvey Mudd Coll, Claremont, CA 91711 USA. Lawrence Livermore Natl Labs, Livermore, CA 94551 USA. RP King, J (reprint author), Harvey Mudd Coll, Claremont, CA 91711 USA. EM jking@hmc.edu NR 13 TC 3 Z9 3 U1 0 U2 0 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 SEP 11 PY 2005 VL 550 IS 1-2 BP 90 EP 95 DI 10.1016/j.nima.2005.06.023 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 965QE UT WOS:000231964500011 ER PT J AU Colas, J Di Ciaccio, L El Kacimi, M Gaumer, O Gouanere, M Goujdami, D Lafaye, R Le Maner, C Neukermans, L Perrodo, P Poggioli, L Prieur, D Przysieznlak, H Sauvage, G Wingerter-Seez, I Zitoun, R Lanni, F Ma, H Rajagopalan, S Rescia, S Takai, H Belymam, A Benchekroun, D Hakimi, M Hoummada, A Barberio, E Gao, YS Lu, L Stroynowski, R Aleksa, M Hansen, JB Carli, T Fassnacht, P Gianotti, F Hervas, L Lampl, W Belhorma, B Collot, J Gallin-Martel, ML Hostachy, JY Ledroit-Guillon, F Martin, P Ohlsson-Malek, F Saboumazrag, S Viret, S Leltchouk, M Parsons, JA Seman, M Barreiro, F Del Peso, J Labarga, L Oliver, C Rodier, S Barrillon, P Benchouk, C Djama, F Duval, PY Henry-Couannier, F Hubaut, F Monnier, E Pralavorio, P Sauvage, D Serfon, C Tisserant, S Toth, J Banfi, D Carminati, L Cavalli, D Costa, G Delmastro, M Fanti, M Mandelli, L Mazzanti, M Tartarelli, GF Kotov, K Maslennikov, A Pospelov, G Tikhonov, Y Bourdarios, C de la Taille, C Fayard, L Fournier, D Iconomidou-Fayard, L Kado, M Lechowski, M Parrour, G Puzo, P Rousseau, D Sacco, R Seguin-Moreau, N Serin, L Unal, G Zerwas, D Dekhissi, B Derkaoui, J El Kharrim, A Maaroufi, F Camard, A Lacour, D Laforge, B Nikolic-Audit, I Schwemling, P Ghazlane, H El Moursli, RC Fakhr-Eddine, AI Boonekamp, M Mansoulie, B Meyer, P Schwindling, J Lund-Jensen, B Tayalati, Y AF Colas, J Di Ciaccio, L El Kacimi, M Gaumer, O Gouanere, M Goujdami, D Lafaye, R Le Maner, C Neukermans, L Perrodo, P Poggioli, L Prieur, D Przysieznlak, H Sauvage, G Wingerter-Seez, I Zitoun, R Lanni, F Ma, H Rajagopalan, S Rescia, S Takai, H Belymam, A Benchekroun, D Hakimi, M Hoummada, A Barberio, E Gao, YS Lu, L Stroynowski, R Aleksa, M Hansen, JB Carli, T Fassnacht, P Gianotti, F Hervas, L Lampl, W Belhorma, B Collot, J Gallin-Martel, ML Hostachy, JY Ledroit-Guillon, F Martin, P Ohlsson-Malek, F Saboumazrag, S Viret, S Leltchouk, M Parsons, JA Seman, M Barreiro, F Del Peso, J Labarga, L Oliver, C Rodier, S Barrillon, P Benchouk, C Djama, F Duval, PY Henry-Couannier, F Hubaut, F Monnier, E Pralavorio, P Sauvage, D Serfon, C Tisserant, S Toth, J Banfi, D Carminati, L Cavalli, D Costa, G Delmastro, M Fanti, M Mandelli, L Mazzanti, M Tartarelli, GF Kotov, K Maslennikov, A Pospelov, G Tikhonov, Y Bourdarios, C de la Taille, C Fayard, L Fournier, D Iconomidou-Fayard, L Kado, M Lechowski, M Parrour, G Puzo, P Rousseau, D Sacco, R Seguin-Moreau, N Serin, L Unal, G Zerwas, D Dekhissi, B Derkaoui, J El Kharrim, A Maaroufi, F Camard, A Lacour, D Laforge, B Nikolic-Audit, I Schwemling, P Ghazlane, H El Moursli, RC Fakhr-Eddine, AI Boonekamp, M Mansoulie, B Meyer, P Schwindling, J Lund-Jensen, B Tayalati, Y TI Position resolution and particle identification with the ATLAS EM calorimeter SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE calorimeters; particle physics ID PERFORMANCE; MODULE-0 AB In the years between 2000 and 2002 several pre-series and series modules of the ATLAS EM barrel and end-cap calorimeter were exposed to electron, photon and pion beams. The performance of the calorimeter with respect to its finely segmented first sampling has been studied. The polar angle resolution has been found to be in the range 50-60 (mrad)/root E(GeV). The pi(0) rejection has been measured to be about 3.5 for 90% photon selection efficiency at PT = 50GeV/c. e-pi separation studies have indicated that a pion fake rate of (0.07-0.5)% can be achieved while maintaining 90% electron identification efficiency for energies up to 40 GeV. (c) 2005 Elsevier B.V. All rights reserved. C1 CNRS, LAPP, IN2P3, F-74941 Annecy Le Vieux, France. Brookhaven Natl Lab, Upton, NY 11973 USA. Fac Sci Ain Chock, Casablanca, Morocco. So Methodist Univ, Dallas, TX 75275 USA. CERN, European Lab Particle Phys, CH-1211 Geneva, Switzerland. Univ Grenoble 1, Lab Phys Subatom & Cosmol, F-38026 St Martin Dheres, France. Columbia Univ, Nevis Labs, Irvington, NY 10533 USA. Univ Autonoma Madrid, Dept Phys, Madrid, Spain. Univ Mediterranee, IN2P3, CNRS, Ctr Phys Particules Marseille, F-13288 Marseille, France. Univ Milan, Dipartimento Fis, I-20133 Milan, Italy. Ist Nazl Fis Nucl, I-20133 Milan, Italy. Budker Inst Nucl Phys, RU-630090 Novosibirsk, Russia. Univ Paris 11, Lab Accelerateur Lineaire, IN2P3, CNRS, F-91898 Orsay, France. Univ Mohammed Premier, Lab Phys Theor & Phys Particules, Oujda, Morocco. Univ Paris 06, Lab Phys Nucl & Hautes Energies, F-75252 Paris, France. Univ Paris 07, Lab Phys Nucl & Hautes Energies, F-75252 Paris, France. Univ Mohammed 5, Fac Sci, Rabat, Morocco. Ctr Natl Energie Sci & Tech Nucl, Rabat, Morocco. CE Saclay, DAPNIA, Serv Phys Particules, CEA, F-91191 Gif Sur Yvette, France. Royal Inst Technol, Stockholm, Sweden. KFKI, Budapest, Hungary. RP Sacco, R (reprint author), Queen Mary Univ London, Dept Phys, Mile End Rd, London E1 4NS, England. EM roberto.sacco@cern.ch RI Rescia, Sergio/D-8604-2011; Takai, Helio/C-3301-2012; Delmastro, Marco/I-5599-2012; Tartarelli, Giuseppe Francesco/A-5629-2016 OI Rescia, Sergio/0000-0003-2411-8903; Takai, Helio/0000-0001-9253-8307; Delmastro, Marco/0000-0003-2992-3805; Tartarelli, Giuseppe Francesco/0000-0002-4244-502X NR 16 TC 21 Z9 21 U1 1 U2 5 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 SEP 11 PY 2005 VL 550 IS 1-2 BP 96 EP 115 DI 10.1016/j.nima.2005.05.041 PG 20 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 965QE UT WOS:000231964500012 ER PT J AU Cooper, W Daly, C Demarteau, M Fast, J Hanagaki, K Johnson, M Kuykendall, W Lubatti, H Matulik, M Nomerotski, A Quinn, B Wang, J AF Cooper, W Daly, C Demarteau, M Fast, J Hanagaki, K Johnson, M Kuykendall, W Lubatti, H Matulik, M Nomerotski, A Quinn, B Wang, J TI Electrical properties of carbon fiber support systems SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE carbon fiber; silicon vertex detector; support structure; grounding; Tevatron; Fermilab; Dzero ID DETECTOR; TRACKER AB Carbon fiber support structures have become common elements of detector designs for high energy physics experiments. Carbon fiber has many mechanical advantages but it is also characterized by high conductivity, particularly at high frequency, with associated design issues. This paper discusses the elements required for sound electrical performance of silicon detectors employing carbon fiber support elements. Tests on carbon fiber structures are presented indicating that carbon fiber must be regarded as a conductor for the frequency region of 10-100 MHz. The general principles of grounding configurations involving carbon fiber structures will be discussed. To illustrate the design requirements, measurements performed with a silicon detector on a carbon fiber support structure at small radius are presented. A grounding scheme employing copper-kapton mesh circuits is described and shown to provide adequate and robust detector performance. (c) 2005 Elsevier B.V. All rights reserved. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Mississippi, Dept Phys, University, MS 38677 USA. Univ Washington, Dept Phys, Seattle, WA 98195 USA. RP Demarteau, M (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM demarteau@fnal.gov; mjohnson@fnal.gov RI Nomerotski, Andrei/A-5169-2010 NR 12 TC 8 Z9 8 U1 0 U2 0 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 SEP 11 PY 2005 VL 550 IS 1-2 BP 127 EP 138 DI 10.1016/j.nima.2005.04.087 PG 12 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 965QE UT WOS:000231964500014 ER PT J AU Shin, TJ Dierker, SB Smith, GC AF Shin, TJ Dierker, SB Smith, GC TI Position resolution and energy spectra from a two-dimensional gas proportional detector in the region of the krypton K-edge SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE position resolution; krypton K-edge; X-ray gas proportional detector ID XENON FILLED MWPC; SPATIAL-RESOLUTION; X-RAYS; CHAMBERS; FWHM AB Results are presented of the position resolution and energy spectra from a two-dimensional gas proportional detector in the region of the krypton K-edge of 14.326 keV. Measurements were made with a gas mixture of Kr/10%CO2 and the position resolution was fit by a simple model based on the photoelectron and Auger electron range. In the energy region below the K-edge, X-rays interact primarily in the L-shell, yielding an energetic photoelectron that limits position resolution to no better than several hundred mu m. For X-rays with energy just above the K-edge, position resolution in the range of 90 mu m FWHM was achieved using the technique of escape peak gating. We found broad low-level wings forming about 31% of the total area in the position spectrum above the K-edge, indicating that the L-shell interactions are included (and inseparable) in the gating technique of photopeak events within this energy range. Furthermore, the shape of the position spectrum was well explained when the energy dependence of sigma(L)/(sigma(K) + sigma(L)) was considered above the K-edge. (c) 2005 Elsevier B.V. All rights reserved. C1 Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. Brookhaven Natl Lab, Instrumentat Div, Upton, NY 11973 USA. RP Shin, TJ (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. EM shin@bnl.gov RI Shin, Tae Joo/R-7434-2016 OI Shin, Tae Joo/0000-0002-1438-3298 NR 13 TC 1 Z9 1 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 SEP 11 PY 2005 VL 550 IS 1-2 BP 292 EP 304 DI 10.1016/j.nima.2005.05.050 PG 13 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 965QE UT WOS:000231964500028 ER PT J AU Zsigmond, G Carpenter, JM AF Zsigmond, G Carpenter, JM TI A numerical analysis of time focusing of crystal analyzer spectrometers on pulsed sources SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE crystal analyzer spectrometers; backscattering spectrometers; time focusing; neutron scattering; pulsed neutron sources; resolution ID MONTE-CARLO SIMULATION AB We have carried out Monte Carlo simulations that support the linear analytical theory of time-focusing on crystal analyzer instruments and provide further interesting details on the time-of-flight signals obtained for different geometries. Important non-linear effects are revealed close to the time-focusing conditions. Calculations for realistic sizes of spectrometer elements indicate an elastic-scattering time-of-flight spread sigma(t)/t approximately 7.9 x 10(-5), far less than the conventional (and incorrect) Delta Theta cot Theta estimate for such type of instrument. The aim is to provide a basis for design of spectrometers of the highest possible resolution with the highest possible counting rates, meanwhile to reveal new flexibilities for the design e.g. tunable analyzer energy. (c) 2005 Elsevier B.V. All rights reserved. C1 Hahn Meitner Inst Berlin GmbH, D-14109 Berlin, Germany. Argonne Natl Lab, Intense Pulsed Neutron Source, Argonne, IL 60439 USA. RP Zsigmond, G (reprint author), Paul Scherrer Inst, Lab Dev & Methods, CH-5232 Villigen, Switzerland. EM geza.zsigmond@psi.ch NR 8 TC 2 Z9 2 U1 0 U2 0 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 SEP 11 PY 2005 VL 550 IS 1-2 BP 359 EP 378 DI 10.1016/j.nima.2005.03.172 PG 20 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 965QE UT WOS:000231964500033 ER PT J AU Rochman, D Haight, RC O'Donnell, JM Michaudon, A Wender, SA Vieira, DJ Bond, EM Bredeweg, TA Kronenberg, A Wilhelmy, JB Ethvignot, T Granier, T Petit, M Danon, Y AF Rochman, D Haight, RC O'Donnell, JM Michaudon, A Wender, SA Vieira, DJ Bond, EM Bredeweg, TA Kronenberg, A Wilhelmy, JB Ethvignot, T Granier, T Petit, M Danon, Y TI Characteristics of a lead slowing-down spectrometer coupled to the LANSCE accelerator SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE neutron-induced reaction; lead slowing-down spectrometer; spallation neutron source; fission cross-section; MCNPX ID FISSION CROSS-SECTION; NEUTRON-INDUCED FISSION; ENERGY; NP-237; ISOMER AB A description is given of a lead slowing-down spectrometer (LSDS) installed at the 800-MeV proton accelerator of the Los Alamos Neutron Science Center (LANSCE). The LSDS is designed to study neutron-induced fission on actinides that can only be obtained or used in small quantities. The characteristics of this LSDS (energy-time relation, energy resolution, neutron flux) are presented through simulations with MCNPX and measurements with several different methods. Results on neutron-induced fission of U-235 and Pu-239 with tens of micrograms and tens of nanograms, respectively, are presented. Finally, additional MCNPX calculations have been performed to simulate the measurement of the cross-section for U-235m(n, f) using different target quantities and different initial isomer-to-ground state compositions. (c) 2005 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, LANSCE 3, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, C INC, Los Alamos, NM 87545 USA. CEA, DIF, DPTA, Serv Phys Nucl, F-91680 Bruyeres Le Chatel, France. Rensselaer Polytech Inst, Troy, NY 12180 USA. RP Haight, RC (reprint author), Los Alamos Natl Lab, LANSCE 3, MS H855, Los Alamos, NM 87545 USA. EM drochman@bnl.gov; haight@lanl.gov; odonnell@lanl.gov; michaudon@lanl.gov; wender@lanl.gov; vieira@lanl.gov; bond@lanl.gov; toddb@lanl.gov; kronenberga@mail.phy.ornl.gov; j_wilhelmy@lanl.gov; thierry.ethvignot@cea.fr; thierry.granier@cea.fr; michael.petit@cea.fr; danony@rpi.edu RI Danon, Yaron/B-5159-2009; OI Rochman, Dimitri/0000-0002-5089-7034 NR 42 TC 21 Z9 21 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 SEP 11 PY 2005 VL 550 IS 1-2 BP 397 EP 413 DI 10.1016/j.nima.2005.04.075 PG 17 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 965QE UT WOS:000231964500036 ER PT J AU Anderson, JM Li, ZY Krasnopolsky, R Blandford, RD AF Anderson, JM Li, ZY Krasnopolsky, R Blandford, RD TI The structure of magnetocentrifugal winds. I. Steady mass loading SO ASTROPHYSICAL JOURNAL LA English DT Article DE accretion, accretion disks; ISM : jets and outflows; MHD; stars : formation; stars : mass loss; stars : pre-main-sequence ID YOUNG STELLAR OBJECTS; MAGNETICALLY DRIVEN JETS; ACCRETION DISKS; NUMERICAL SIMULATIONS; ASTROPHYSICAL JETS; MAGNETOHYDRODYNAMIC JETS; MAGNETIZED WINDS; COLLIMATED WINDS; KEPLERIAN DISKS; RADIO JETS AB We present the results of a series of time-dependent numerical simulations of cold, magnetocentrifugally launched winds from accretion disks. The goal of this study is to determine how the mass loading from the disk affects the structure and dynamics of the wind for a given distribution of magnetic fields. Our simulations span 4.5 dex of mass loading; in the context of a disk with a launching region from 0.1 to 1.0 AU around a 1 M-circle dot star and a field strength of about 20 G at the inner disk edge, this amounts to mass-loss rates of 1 x 10(-9) -3 x 10(-5) M-circle dot yr(-1) from each side of the disk. We find that, as expected intuitively, the degree of collimation of the wind increases with mass loading; however, even the ''lightest'' wind simulated is significantly collimated compared with the force-free magnetic configuration of the same magnetic flux distribution at the launching surface, which becomes radial at large distances. The implication is that for flows from young stellar objects, a radial field approximation is inappropriate. Surprisingly, the terminal velocity of the wind and the magnetic lever arm are still well described by the analytical solutions for a radial field geometry. We also find that the isodensity contours and the Alfven surface are approximately self-similar in mass loading. The wind becomes unsteady above some critical mass-loading rate. The exact value of the critical rate depends on the ( small) velocity with which we inject the material into the wind. For a small enough injection speed, we are able to obtain the first examples of a class of heavily loaded magneto-centrifugal winds with magnetic fields completely dominated by the toroidal component all the way to the launching surface. The stability of such toroidally dominated winds in three dimensions will be the subject of a future investigation. C1 Univ Virginia, Dept Astron, Charlottesville, VA 22903 USA. Univ Illinois, Ctr Theoret Astrophys, Loomis Lab, Urbana, IL 61801 USA. Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Anderson, JM (reprint author), Univ Virginia, Dept Astron, POB 3818, Charlottesville, VA 22903 USA. EM jma2u@virginia.edu; zl4h@virginia.edu; ruben@astro.uiuc.edu; rdb3@stanford.edu NR 47 TC 36 Z9 36 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 SEP 10 PY 2005 VL 630 IS 2 BP 945 EP 957 DI 10.1086/432040 PN 1 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 961LR UT WOS:000231664400026 ER PT J AU Atkins, R Benbow, W Berley, D Blaufuss, E Coyne, DG DeYoung, T Dingus, BL Dorfan, DE Ellsworth, RW Fleysher, L Fleysher, R Gonzalez, MM Goodman, JA Hays, E Hoffman, CM Kelley, LA Lansdell, CP Linnemann, JT McEnery, JE Mincer, AI Morales, MF Nemethy, P Noyes, D Ryan, JM Samuelson, FW Parkinson, PMS Shoup, A Sinnis, G Smith, AJ Sullivan, GW Williams, DA Wilson, ME Xu, XW Yodh, GB AF Atkins, R Benbow, W Berley, D Blaufuss, E Coyne, DG DeYoung, T Dingus, BL Dorfan, DE Ellsworth, RW Fleysher, L Fleysher, R Gonzalez, MM Goodman, JA Hays, E Hoffman, CM Kelley, LA Lansdell, CP Linnemann, JT McEnery, JE Mincer, AI Morales, MF Nemethy, P Noyes, D Ryan, JM Samuelson, FW Parkinson, PMS Shoup, A Sinnis, G Smith, AJ Sullivan, GW Williams, DA Wilson, ME Xu, XW Yodh, GB TI Constraints on very high energy gamma-ray emission from gamma-ray bursts SO ASTROPHYSICAL JOURNAL LA English DT Article DE gamma rays : bursts; gamma rays : observations ID AIR-SHOWER ARRAY; GRB 970417A; TEV; BATSE; ABSORPTION; SEARCH; GRB-010921; MILAGRITO; COMPONENT; SPECTRUM AB The Milagro Gamma-Ray Observatory employs a water Cerenkov detector to observe extensive air showers produced by high-energy particles interacting in the Earth's atmosphere. Milagro has a wide field of view and high duty cycle, monitoring the northern sky almost continuously in the 100 GeV to 100 TeV energy range. Milagro is thus uniquely capable of searching for very high energy emission from gamma-ray bursts ( GRBs) during the prompt emission phase. Detection of > 100 GeV counterparts would place powerful constraints on GRB mechanisms. Twenty-five satellite-triggered GRBs occurred within the field of view of Milagro between 2000 January and 2001 December. We have searched for counterparts to these GRBs and found no significant emission from any of the burst positions. Due to the absorption of high-energy gamma rays by the extragalactic background light, detections are only expected to be possible for redshifts less than similar to 0.5. Three of the GRBs studied have measured redshifts. GRB 010921 has a redshift low enough ( 0.45) to allow an upper limit on the fluence to place an observational constraint on potential GRB models. C1 Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. Univ Calif Santa Cruz, Inst Particle Phys, Santa Cruz, CA 95064 USA. Univ Maryland, Dept Phys, College Pk, MD 20742 USA. Los Alamos Natl Lab, Grp P23, Los Alamos, NM 87545 USA. George Mason Univ, Dept Phys & Astron, Fairfax, VA 22030 USA. NYU, Dept Phys, New York, NY 10003 USA. Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. Univ New Hampshire, Dept Phys, Durham, NH 03824 USA. US FDA, Ctr Devices & Radiol Hlth, Off Sci & Engn Labs, Rockville, MD 20850 USA. Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. RP Atkins, R (reprint author), Univ Utah, Dept Phys, 115 South 1400 East, Salt Lake City, UT 84112 USA. RI Hays, Elizabeth/D-3257-2012; OI Dingus, Brenda/0000-0001-8451-7450; Mincer, Allen/0000-0002-6307-1418 NR 31 TC 43 Z9 43 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 SEP 10 PY 2005 VL 630 IS 2 BP 996 EP 1002 DI 10.1086/432501 PN 1 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 961LR UT WOS:000231664400030 ER PT J AU Schmidt, GD Szkody, P Vanlandingham, KM Anderson, SF Barentine, JC Brewington, HJ Hall, PB Harvanek, M Kleinman, SJ Krzesinski, J Long, D Margon, B Neilsen, EH Newman, PR Nitta, A Schneider, DP Snedden, SA AF Schmidt, GD Szkody, P Vanlandingham, KM Anderson, SF Barentine, JC Brewington, HJ Hall, PB Harvanek, M Kleinman, SJ Krzesinski, J Long, D Margon, B Neilsen, EH Newman, PR Nitta, A Schneider, DP Snedden, SA TI New low accretion rate magnetic binary systems and their significance for the evolution of cataclysmic variables SO ASTROPHYSICAL JOURNAL LA English DT Article DE magnetic fields; novae, cataclysmic variables; polarization; stars : individual (SDSS J083751.00+383012.5, SDSS J132411.57+032050.5, SDSS J155331.12+551614.5, SDSS J204827.91+005008.9) ID DIGITAL SKY SURVEY; AM HERCULIS BINARIES; STATIONARY RADIATION HYDRODYNAMICS; XMM-NEWTON OBSERVATIONS; AR URSAE MAJORIS; X-RAY BINARIES; WHITE-DWARFS; SPECTRAL TYPES; LINE SPECTRUM; PERIOD GAP AB Discoveries of two new white dwarf plus M star binaries with striking optical cyclotron emission features from the Sloan Digital Sky Survey ( SDSS) brings to six the total number of X-ray-faint, magnetic accretion binaries that accrete at rates. M <= 10(-13) M-circle dot yr(-1), or < 1% of the values normally encountered in cataclysmic variables. This fact, coupled with donor stars that underfill their Roche lobes and very cool white dwarfs, brand the binaries as post common-envelope systems whose orbits have not yet decayed to the point of Roche lobe contact. They are premagnetic cataclysmic variables, or pre-Polars. The systems exhibit spin-orbit synchronism and apparently accrete by efficient capture of the stellar wind from the secondary star, a process that has been dubbed a "magnetic siphon." Because of this, period evolution of the binaries will occur solely by gravitational radiation, which is very slow for periods > 3 hr. Optical surveys for the cyclotron harmonics appear to be the only means of discovery, so the space density of pre-Polars could rival that of Polars, and the binaries provide an important channel of progenitors ( in addition to the asynchronous intermediate Polars). Both physical and SDSS observational selection effects are identified that may help to explain the clumping of all six systems in a narrow range of magnetic field strength around 60 MG. C1 Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. Univ Washington, Dept Astron, Seattle, WA 98195 USA. Apache Point Observ, Sunspot, NM 88349 USA. York Univ, Dept Phys & Astron, N York, ON M3J 1P3, Canada. Cracow Pedag Univ, Mt Suhora Observ, PL-30084 Krakow, Poland. Space Telescope Sci Inst, Baltimore, MD 21218 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Penn State Univ, Dept Phys & Astron, Davey Lab, University Pk, PA 16802 USA. RP Schmidt, GD (reprint author), Univ Arizona, Steward Observ, 933 N Cherry St, Tucson, AZ 85721 USA. EM gschmidt@as.arizona.edu RI Margon, Bruce/B-5913-2012 NR 72 TC 66 Z9 66 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 SEP 10 PY 2005 VL 630 IS 2 BP 1037 EP 1053 DI 10.1086/431969 PN 1 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 961LR UT WOS:000231664400035 ER PT J AU Dunlop, JC AF Dunlop, JC TI Matter at high density and temperature at RHIC SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article; Proceedings Paper CT 32nd International Conference on High Energy Physics CY AUG 16-22, 2004 CL Beijing, PEOPLES R CHINA SP Int Union Pure & Appl Phys, Inst High Energy Phys, Chinese Acad Sci, Natl Nat Sci Fdn China, Chinese Phys Soc ID QUARK-GLUON PLASMA; PLUS AU COLLISIONS; CENTRALITY DEPENDENCE; ELLIPTIC FLOW; SIGNATURE; QCD; DISTRIBUTIONS; ANISOTROPY AB The status of current investigation of hot and dense matter at the Relativistic Heavy Ion Collider (RHIC) at Brookhaven National Laboratory (BNL) is reviewed. Indications for the creation of a dense, strongly interacting system have been seen. Further experimental and theoretical work is needed to convert these indications into quantitative measurements of the properties of the system created. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Brookhaven Natl Lab, Upton, NY 11973 USA. EM dunlop@bnl.gov NR 64 TC 0 Z9 0 U1 0 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X EI 1793-656X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD SEP 10 PY 2005 VL 20 IS 22 BP 5224 EP 5233 DI 10.1142/S0217751X05028739 PG 10 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 971JS UT WOS:000232380700016 ER PT J AU Petkovic, LM Ginosar, DM Burch, KC AF Petkovic, LM Ginosar, DM Burch, KC TI Supercritical fluid removal of hydrocarbons adsorbed on wide-pore zeolite catalysts SO JOURNAL OF CATALYSIS LA English DT Article DE supercritical fluid regeneration; isobutane/butene alkylation; acidic zeolites; coke analysis; FAU; BEA; MOR ID SOLID ACID CATALYSTS; SULFATED ZIRCONIA CATALYSTS; ALKENYL CARBENIUM IONS; ISOBUTANE/2-BUTENE ALKYLATION; ISOBUTANE/BUTENE ALKYLATION; CARBON-DIOXIDE; COKE FORMATION; USY; REGENERATION; ADSORPTION AB The effect of zeolite pore structure on coke removal by supercritical fluid regeneration (SFR) was studied on a series of wide-pore zeolites, including acidic Y, beta, and mordenite zeolites. Catalyst samples were deactivated under isobutane/butene reaction conditions and treated under flowing supercritical isobutane for 60 min. The chemical nature of the species remaining on the catalyst surface was analyzed by temperature-programmed oxidation, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), and ultraviolet-visible spectroscopy. Even though most adsorbed hydrocarbons were removed in some catalysts, DRIFTS spectra indicated that none of the catalysts was completely free of hydrocarbon deposits after SFR. Cyclic reaction/SFR experiments on USY and beta zeolites showed that neither catalyst recovered its initial performance, and also demonstrated a continuous decrease in activity. However, the decrease of activity between cycles was slower in the beta sample, probably due to hindered formation of unsaturated cyclic or polycyclic compounds. (c) 2005 Elsevier Inc. All rights reserved. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Petkovic, LM (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM petklm@inel.gov RI Petkovic, Lucia/E-9092-2011; Ginosar, Daniel/C-2357-2017 OI Petkovic, Lucia/0000-0002-0870-3355; Ginosar, Daniel/0000-0002-8522-1659 NR 41 TC 18 Z9 21 U1 3 U2 11 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 J9 J CATAL JI J. Catal. PD SEP 10 PY 2005 VL 234 IS 2 BP 328 EP 339 DI 10.1016/j.jcat.2005.06.027 PG 12 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 961AG UT WOS:000231633700009 ER PT J AU Mondy, LA Grillet, AM Pacheco, G Henfling, J Ingber, MS Graham, AL Brenner, H AF Mondy, LA Grillet, AM Pacheco, G Henfling, J Ingber, MS Graham, AL Brenner, H TI Apparent slip at the surface of a ball spinning in a concentrated suspension SO JOURNAL OF FLUID MECHANICS LA English DT Article ID INDUCED PARTICLE MIGRATION; MOLECULAR DIMENSIONS; QUIESCENT SUSPENSION; SOLID SPHERES; VISCOSITY; FLOW; DIFFUSION; CYLINDER; ROTATION; COUETTE AB The couple on a ball rotating relative to an otherwise quiescent suspension of comparably-sized, neutrally buoyant spheres is studied both experimentally and numerically. Apparent 'slip' relative to the analytical solution for a sphere spinning in a Newtonian fluid (based upon the viscosity of the suspension) is determined in suspensions with volume fractions c ranging from 0.03 to 0.50. This apparent slip results in a decrease of the measured torque on the spinning ball when the radius of the ball becomes comparable with that of the suspended spheres. Over the range of our data, the slip becomes more pronounced as the concentration c increases. At c = 0.25, three-dimensional boundary-element simulations agree well with the experimental data. Moreover, at c = 0.03, good agreement exists between such calculations and theoretical predictions of rotary slip in dilute suspensions. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ New Mexico, Dept Mech Engn, Albuquerque, NM 87131 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. MIT, Dept Chem Engn, Cambridge, MA 02139 USA. RP Mondy, LA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 32 TC 2 Z9 2 U1 2 U2 2 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 40 WEST 20TH ST, NEW YORK, NY 10011-4211 USA SN 0022-1120 J9 J FLUID MECH JI J. Fluid Mech. PD SEP 10 PY 2005 VL 538 BP 377 EP 397 DI 10.1017/S0022112005005380 PG 21 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 971CB UT WOS:000232357600016 ER PT J AU Lee, DY Lyons, LR Reeves, GD AF Lee, DY Lyons, LR Reeves, GD TI Comparison of geosynchronous energetic particle flux responses to solar wind dynamic pressure enhancements and substorms SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID SUDDEN IMPULSES; MAGNETIC-FIELD; MAGNETOSPHERIC RESPONSE; JANUARY 10; MAGNETOTAIL; LOBE; INJECTIONS; STRENGTH; DRIVEN; PULSE AB [1] Geosynchronous energetic particle fluxes are used to examine the differences and similarities between the particle disturbances due to an enhancement in solar wind dynamic pressure P-dyn and those caused by substorms. Disturbances are also distinguished by IMF conditions. First, for not strongly southward IMF conditions ( weakly southward or northward IMF), we find that the magnetospheric compression by a P-dyn enhancement usually causes particle fluxes to increase simultaneously at all energy channels. The increase is global around the Earth, but it usually occurs first on the dayside and then propagates to the nightside within a few minutes. We also find that a magnetospheric compression sometimes leads to a flux decrease or no flux change for at least one energy channel at some MLTs, which we attribute to the shape of radial profiles at constant adiabatic invariants. However, we find no evidence for substorm-like injections in our P-dyn enhancement events when the IMF is not strongly southward. Following prolonged strongly southward IMF, substorms caused by IMF changes that lead to convection electric field reduction and are not associated with a P-dyn change generate flux disturbances that are quite similar to typical substorm flux disturbances for less strongly southward IMF conditions. However, the dispersionless injection front is found over a much wider azimuthal region, sometimes extending to the late afternoonside for protons. We find that under prolonged steady, strongly southward IMF conditions, a P-dyn enhancement leads to a two-mode type disturbance. The disturbance due to magnetospheric compression can be clearly identified and is seen primarily on the dayside, and a substorm-like injection associated with current wedge formation is seen on the nightside. The dayside compression effect is seen in both species, but is often more easily identified in the proton fluxes than in the electron fluxes. The substorm-like injection feature is also seen in both species but is usually more evident in the electron fluxes. In the events studied here, the dayside compression disturbance precedes the substorm-like injection on the nightside by a few minutes. C1 Chungbuk Natl Univ, Coll Nat Sci, Dept Astron & Space Sci, Cheongju 361763, Chungbuk, South Korea. Chungbuk Natl Univ, Inst Basic Sci Res, Cheongju 361763, Chungbuk, South Korea. Univ Calif Los Angeles, Dept Atmospher Sci, Los Angeles, CA 90095 USA. Los Alamos Natl Lab, Los Alamos, NM USA. RP Chungbuk Natl Univ, Coll Nat Sci, Dept Astron & Space Sci, Cheongju 361763, Chungbuk, South Korea. EM dae-young-lee@hanmail.net; larry@atmos.ucla.edu; reeves@lanl.gov RI Reeves, Geoffrey/E-8101-2011 OI Reeves, Geoffrey/0000-0002-7985-8098 NR 24 TC 33 Z9 37 U1 0 U2 2 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 SEP 9 PY 2005 VL 110 IS A9 AR A09213 DI 10.1029/2005JA011091 PG 20 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 963TR UT WOS:000231829300005 ER PT J AU Son, JT Kim, HG AF Son, JT Kim, HG TI New investigation of fluorine-substituted spinel LiMn2O4-xFx by using sol-gel process SO JOURNAL OF POWER SOURCES LA English DT Article DE LiMn2O4; fluorine; electronic conductivity; cycleabilty; lithium secondary battery; electrochemical properties ID ELECTROCHEMICAL PROPERTIES; INTERCALATION CATHODES; ION BATTERIES; LITHIUM; TEMPERATURE; ELECTRODE; PHASE; CELLS AB To investigate the electrochemical properties of LiMn2O4-xFx (0 < x < 1) as a cathode material for 4-V class lithium secondary batteries, spinel phases synthesized at 800 degrees C are examined. Although the initial discharge capacity of LiMn2O4 is improved by substitution of F- for O-2(-) in the single-phase region, the cycle performance is reduced considerably compared with that of parent LiMn2O4. X-ray diffraction (XRD) data show that the single-phase region of x in LiMn2O4-xFx is 0 < x < 0.2. A secondary phase (Mn2O3) is observed in the region 0.4 < x < 1.0. Voltammetric peaks between 3 and 4.5 V region and XRD data suggest that the oxidation state of Mn in the parent LiMn2O4 increases at the expense of creating second phase (Mn2O3). These results also imply that a second phase spinel can improve the cycling performance of LiMn2O4 by suppressing the Jahn-Teller instability. The oxidation state of Mn in the single-phase spinel and the second-phase coexisting spinel is compared by means of XPS measurements. The electronic conductivity and activation energy of LiMn2O4 is also discussed. (c) 2005 Elsevier B.V. All rights reserved. C1 Korea Adv Inst Sci & Technol, Dept Mat Sci & Engn, Taejon, South Korea. RP Son, JT (reprint author), Lawrence Berkeley Natl Lab, Adv Energy Technol Div, MS 70-108B, Berkeley, CA 94720 USA. EM jtson@lbl.gov NR 32 TC 32 Z9 44 U1 0 U2 24 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 SEP 9 PY 2005 VL 147 IS 1-2 BP 220 EP 226 DI 10.1016/j.jpowsour.2004.12.006 PG 7 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 969NQ UT WOS:000232241400021 ER PT J AU Aubert, B Barate, R Boutigny, D Couderc, F Karyotakis, Y Lees, JP Poireau, V Tisserand, V Zghiche, A Grauges, E Palano, A Pappagallo, M Pompili, A Chen, JC Qi, ND Rong, G Wang, P Zhu, YS Eigen, G Ofte, I Stugu, B Abrams, GS Battaglia, M Breon, AB Brown, DN Button-Shafer, J Cahn, RN Charles, E Day, CT Gill, MS Gritsan, AV Groysman, Y Jacobsen, RG Kadel, RW Kadyk, J Kerth, LT Kolomensky, YG Kukartsev, G Lynch, G Mir, LM Oddone, PJ Orimoto, TJ Pripstein, M Roe, NA Ronan, MT Wenzel, WA Barrett, M Ford, KE Harrison, TJ Hart, AJ Hawkes, CM Morgan, SE Watson, AT Fritsch, M Goetzen, K Held, T Koch, H Lewandowski, B Pelizaeus, M Peters, K Schroeder, T Steinke, M Boyd, JT Burke, JP Chevalier, N 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F Bloom, P Chen, S Ford, WT Nauenberg, U Olivas, A Rankin, P Ruddick, WO Smith, JG Ulmer, KA Wagner, SR Zhang, J Chen, A Eckhart, EA Soffer, A Toki, WH Wilson, RJ Zeng, Q Altenburg, D Feltresi, E Hauke, A Spaan, B Brandt, T Brose, J Dickopp, M Klose, V Lacker, HM Nogowski, R Otto, S Petzold, A Schott, G Schubert, J Schubert, KR Schwierz, R Sundermann, JE Bernard, D Bonneaud, GR Grenier, P Schrenk, S Thiebaux, C Vasileiadis, G Verderi, M Bard, DJ Clark, PJ Gradl, W Muheim, F Playfer, S Xie, Y Andreotti, M Azzolini, V Bettoni, D Bozzi, C Calabrese, R Cibinetto, G Luppi, E Negrini, M Piemontese, L Anulli, F Baldini-Ferroli, R Calcaterra, A de Sangro, R Finocchiaro, G Patteri, P Peruzzi, IM Piccolo, M Zallo, A Buzzo, A Capra, R Contri, R Lo Vetere, M Macri, M Monge, MR Passaggio, S Patrignani, C Robutti, E Santroni, A Tosi, S Bailey, S Brandenburg, G Chaisanguanthum, KS Morii, M Won, E Wu, J Dubitzky, RS Langenegger, U Marks, J Schenk, S Uwer, U Bhimji, W Bowerman, DA Dauncey, PD Egede, U Flack, RL Gaillard, JR Morton, GW Nash, JA Nikolich, MB Taylor, GP Vazquez, WP Charles, MJ Mader, WF Mallik, U Mohapatra, AK Cochran, J Crawley, HB Eyges, V Meyer, WT Prell, S Rosenberg, EI Rubin, AE Yi, J Arnaud, N Davier, M Giroux, X Grosdidier, G Hocker, A Le Diberder, F Lepeltier, V Lutz, AM Oyanguren, A Petersen, TC Pierini, M Plaszczynski, S Rodier, S Roudeau, P Schune, MH Stocchi, A Wormser, G Cheng, CH Lange, DJ Simani, MC Wright, DM Bevan, AJ Chavez, CA Coleman, JP Forster, IJ Fry, JR Gabathuler, E Gamet, R George, KA Hutchcroft, DE Parry, RJ Payne, DJ Schofield, KC Touramanis, C Cormack, CM Di Lodovico, F Sacco, R Brown, CL Cowan, G Flaecher, HU Green, MG Hopkins, DA Jackson, PS McMahon, TR Ricciardi, S Salvatore, F Brown, D Davis, CL Allison, J Barlow, NR Barlow, RJ Hodgkinson, MC Lafferty, GD Naisbit, MT Williams, JC Chen, C Farbin, A Hulsbergen, WD Jawahery, A Kovalskyi, D Lae, CK Lillard, V Roberts, DA Simi, G Blaylock, G Dallapiccola, C Hertzbach, SS Kofler, R Koptchev, VB Li, X Moore, TB Saremi, S Staengle, H Willocq, S Cowan, R Koeneke, K Sciolla, G Sekula, SJ Spitznagel, M Taylor, F Yamamoto, RK Kim, H Patel, PM Robertson, SH Lazzaro, A Lombardo, V Palombo, F Bauer, JM Cremaldi, L Eschenburg, V Godang, R Kroeger, R Reidy, J Sanders, DA Summers, DJ Zhao, HW Brunet, S Cote, D Taras, P Viaud, B Nicholson, H Cavallo, N De Nardo, G Fabozzi, F Gatto, C Lista, L Monorchio, D Paolucci, P Piccolo, D Sciacca, C Baak, M Bulten, H Raven, G Snoek, HL Wilden, L Jessop, CP LoSecco, JM Allmendinger, T Benelli, G Gan, KK Honscheid, K Hufnagel, D Jackson, PD Kagan, H Kass, R Pulliam, T Rahimi, AM Ter-Antonyan, R Wong, QK Brau, J Frey, R Igonkina, O Lu, M Potter, CT Sinev, NB Strom, D Strube, J Torrence, E Dorigo, A Galeazzi, F Margoni, M Morandin, M Posocco, M Rotondo, M Simonetto, F Stroili, R Voci, C Benayoun, M Briand, H Chauveau, J David, P Del Buono, L de la Vaissiere, C Hamon, O John, MJJ Leruste, P Malcles, J Ocariz, J Roos, L Therin, G Behera, PK Gladney, L Guo, QH Panetta, J Biasini, M Covarelli, R Pacetti, S Pioppi, M Angelini, C Batignani, G Bettarini, S Bucci, F Calderini, G Carpinelli, M Cenci, R Forti, F Giorgi, MA Lusiani, A Marchiori, G Morganti, M Neri, N Paoloni, E Rama, M Rizzo, G Walsh, J Haire, M Judd, D Wagoner, DE Biesiada, J Danielson, N Elmer, P Lau, YP Lu, C Olsen, J Smith, AJS Telnov, AV Bellini, F Cavoto, G D'Orazio, A Di Marco, E Faccini, R Ferrarotto, F Ferroni, F Gaspero, M Li Gioi, L Mazzoni, MA Morganti, S Piredda, G Polci, F Safai Tehrani, F Voena, C Schroder, H Wagner, G Waldi, R Adye, T De Groot, N Franek, B Gopal, GP Olaiya, EO Wilson, FF Aleksan, R Emery, S Gaidot, A Ganzhur, SF Giraud, PF Graziani, G Hamel de Monchenault, G Kozanecki, W Legendre, M London, GW Mayer, B Vasseur, G Yeche, C Zito, M Purohit, MV Weidemann, AW Wilson, JR Yumiceva, FX Abe, T Allen, MT Aston, D Bartoldus, R Berger, N Boyarski, AM Buchmueller, OL Claus, R Convery, MR Cristinziani, M Dingfelder, JC Dong, D Dorfan, J Dujmic, D Dunwoodie, W Fan, S Field, RC Glanzman, T Gowdy, SJ Hadig, T Halyo, V Hast, C Hryn'ova, T Innes, WR Kelsey, MH Kim, P Kocian, ML Leith, DWGS Libby, J Luitz, S Luth, V Lynch, HL Marsiske, H Menke, S Messner, R Muller, DR O'Grady, CP Ozcan, VE Perazzo, A Perl, M Ratcliff, BN Roodman, A Salnikov, AA Schindler, RH Schwiening, J Snyder, A Stelzer, J Su, D Sullivan, MK Suzuki, K Swain, S Thompson, JM Va'vra, J Weaver, M Wisniewski, WJ Wittgen, M Wright, DH Yarritu, AK Yi, K Young, CC Burchat, PR Edwards, AJ Majewski, SA Petersen, BA Roat, C Ahmed, M Ahmed, S Alam, MS Ernst, JA Saeed, MA Wappler, FR Zain, SB Bugg, W Krishnamurthy, M Spanier, SM Eckmann, R Ritchie, JL Satpathy, A Schwitters, RF Izen, JM Kitayama, I Lou, XC Ye, S Bianchi, F Bona, M Gallo, F Gamba, D Bomben, M Bosisio, L Cartaro, C Cossutti, F Della Ricca, G Dittongo, S Grancagnolo, S Lanceri, L Vitale, L Martinez-Vidal, F Panvini, RS Banerjee, S Bhuyan, B Brown, CM Fortin, D Hamano, K Kowalewski, R Roney, JM Sobie, RJ Back, JJ Harrison, PF Latham, TE Mohanty, GB Band, HR Chen, X Cheng, B Dasu, S Datta, M Eichenbaum, AM Flood, KT Graham, M Hollar, JJ Johnson, JR Kutter, PE Li, H Liu, R Mellado, B Mihalyi, A Pan, Y Prepost, R Tan, P von Wimmersperg-Toeller, JH Wu, SL Yu, Z Neal, H AF Aubert, B Barate, R Boutigny, D Couderc, F Karyotakis, Y Lees, JP Poireau, V Tisserand, V Zghiche, A Grauges, E Palano, A Pappagallo, M Pompili, A Chen, JC Qi, ND Rong, G Wang, P Zhu, YS Eigen, G Ofte, I Stugu, B Abrams, GS Battaglia, M Breon, AB Brown, DN Button-Shafer, J Cahn, RN Charles, E Day, CT Gill, MS Gritsan, AV Groysman, Y Jacobsen, RG Kadel, RW Kadyk, J Kerth, LT Kolomensky, YG Kukartsev, G Lynch, G Mir, LM Oddone, PJ Orimoto, TJ Pripstein, M Roe, NA Ronan, MT Wenzel, WA Barrett, M Ford, KE Harrison, TJ Hart, AJ Hawkes, CM Morgan, SE Watson, AT Fritsch, M Goetzen, K Held, T Koch, H Lewandowski, B Pelizaeus, M Peters, K Schroeder, T Steinke, M Boyd, JT Burke, JP Chevalier, N Cottingham, WN Kelly, MP Cuhadar-Donszelmann, T Fulsom, BG Hearty, C Knecht, NS Mattison, TS McKenna, JA Khan, A Kyberd, P Saleem, M Teodorescu, L Blinov, AE Blinov, VE Bukin, AD Druzhinin, VP Golubev, VB Kravchenko, EA Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Yushkov, AN Best, D Bondioli, M Bruinsma, M Chao, M Eschrich, I Kirkby, D Lankford, AJ Mandelkern, M Mommsen, RK Roethel, W Stoker, DP Buchanan, C Hartfiel, BL Weinstein, AJR Foulkes, SD Gary, JW Long, O Shen, BC Wang, K Zhang, L del Re, D Hadavand, HK Hill, EJ MacFarlane, DB Paar, HP Rahatlou, S Sharma, V Berryhill, JW Campagnari, C Cunha, A Dahmes, B Hong, TM Mazur, MA Richman, JD Verkerke, W Beck, TW Eisner, AM Flacco, CJ Heusch, CA Kroseberg, J Lockman, WS Nesom, G Schalk, T Schumm, BA Seiden, A Spradlin, P Williams, DC Wilson, MG Albert, J Chen, E Dubois-Felsmann, GP Dvoretskii, A Hitlin, DG Narsky, I Piatenko, T Porter, FC Ryd, A Samuel, A Andreassen, R Jayatilleke, S Mancinelli, G Meadows, BT Sokoloff, MD Blanc, F Bloom, P Chen, S Ford, WT Nauenberg, U Olivas, A Rankin, P Ruddick, WO Smith, JG Ulmer, KA Wagner, SR Zhang, J Chen, A Eckhart, EA Soffer, A Toki, WH Wilson, RJ Zeng, Q Altenburg, D Feltresi, E Hauke, A Spaan, B Brandt, T Brose, J Dickopp, M Klose, V Lacker, HM Nogowski, R Otto, S Petzold, A Schott, G Schubert, J Schubert, KR Schwierz, R Sundermann, JE Bernard, D Bonneaud, GR Grenier, P Schrenk, S Thiebaux, C Vasileiadis, G Verderi, M Bard, DJ Clark, PJ Gradl, W Muheim, F Playfer, S Xie, Y Andreotti, M Azzolini, V Bettoni, D Bozzi, C Calabrese, R Cibinetto, G Luppi, E Negrini, M Piemontese, L Anulli, F Baldini-Ferroli, R Calcaterra, A de Sangro, R Finocchiaro, G Patteri, P Peruzzi, IM Piccolo, M Zallo, A Buzzo, A Capra, R Contri, R Lo Vetere, M Macri, M Monge, MR Passaggio, S Patrignani, C Robutti, E Santroni, A Tosi, S Bailey, S Brandenburg, G Chaisanguanthum, KS Morii, M Won, E Wu, J Dubitzky, RS Langenegger, U Marks, J Schenk, S Uwer, U Bhimji, W Bowerman, DA Dauncey, PD Egede, U Flack, RL Gaillard, JR Morton, GW Nash, JA Nikolich, MB Taylor, GP Vazquez, WP Charles, MJ Mader, WF Mallik, U Mohapatra, AK Cochran, J Crawley, HB Eyges, V Meyer, WT Prell, S Rosenberg, EI Rubin, AE Yi, J Arnaud, N Davier, M Giroux, X Grosdidier, G Hocker, A Le Diberder, F Lepeltier, V Lutz, AM Oyanguren, A Petersen, TC Pierini, M Plaszczynski, S Rodier, S Roudeau, P Schune, MH Stocchi, A Wormser, G Cheng, CH Lange, DJ Simani, MC Wright, DM Bevan, AJ Chavez, CA Coleman, JP Forster, IJ Fry, JR Gabathuler, E Gamet, R George, KA Hutchcroft, DE Parry, RJ Payne, DJ Schofield, KC Touramanis, C Cormack, CM Di Lodovico, F Sacco, R Brown, CL Cowan, G Flaecher, HU Green, MG Hopkins, DA Jackson, PS McMahon, TR Ricciardi, S Salvatore, F Brown, D Davis, CL Allison, J Barlow, NR Barlow, RJ Hodgkinson, MC Lafferty, GD Naisbit, MT Williams, JC Chen, C Farbin, A Hulsbergen, WD Jawahery, A Kovalskyi, D Lae, CK Lillard, V Roberts, DA Simi, G Blaylock, G Dallapiccola, C Hertzbach, SS Kofler, R Koptchev, VB Li, X Moore, TB Saremi, S Staengle, H Willocq, S Cowan, R Koeneke, K Sciolla, G Sekula, SJ Spitznagel, M Taylor, F Yamamoto, RK Kim, H Patel, PM Robertson, SH Lazzaro, A Lombardo, V Palombo, F Bauer, JM Cremaldi, L Eschenburg, V Godang, R Kroeger, R Reidy, J Sanders, DA Summers, DJ Zhao, HW Brunet, S Cote, D Taras, P Viaud, B Nicholson, H Cavallo, N De Nardo, G Fabozzi, F Gatto, C Lista, L Monorchio, D Paolucci, P Piccolo, D Sciacca, C Baak, M Bulten, H Raven, G Snoek, HL Wilden, L Jessop, CP LoSecco, JM Allmendinger, T Benelli, G Gan, KK Honscheid, K Hufnagel, D Jackson, PD Kagan, H Kass, R Pulliam, T Rahimi, AM Ter-Antonyan, R Wong, QK Brau, J Frey, R Igonkina, O Lu, M Potter, CT Sinev, NB Strom, D Strube, J Torrence, E Dorigo, A Galeazzi, F Margoni, M Morandin, M Posocco, M Rotondo, M Simonetto, F Stroili, R Voci, C Benayoun, M Briand, H Chauveau, J David, P Del Buono, L de la Vaissiere, C Hamon, O John, MJJ Leruste, P Malcles, J Ocariz, J Roos, L Therin, G Behera, PK Gladney, L Guo, QH Panetta, J Biasini, M Covarelli, R Pacetti, S Pioppi, M Angelini, C Batignani, G Bettarini, S Bucci, F Calderini, G Carpinelli, M Cenci, R Forti, F Giorgi, MA Lusiani, A Marchiori, G Morganti, M Neri, N Paoloni, E Rama, M Rizzo, G Walsh, J Haire, M Judd, D Wagoner, DE Biesiada, J Danielson, N Elmer, P Lau, YP Lu, C Olsen, J Smith, AJS Telnov, AV Bellini, F Cavoto, G D'Orazio, A Di Marco, E Faccini, R Ferrarotto, F Ferroni, F Gaspero, M Li Gioi, L Mazzoni, MA Morganti, S Piredda, G Polci, F Safai Tehrani, F Voena, C Schroder, H Wagner, G Waldi, R Adye, T De Groot, N Franek, B Gopal, GP Olaiya, EO Wilson, FF Aleksan, R Emery, S Gaidot, A Ganzhur, SF Giraud, PF Graziani, G Hamel de Monchenault, G Kozanecki, W Legendre, M London, GW Mayer, B Vasseur, G Yeche, C Zito, M Purohit, MV Weidemann, AW Wilson, JR Yumiceva, FX Abe, T Allen, MT Aston, D Bartoldus, R Berger, N Boyarski, AM Buchmueller, OL Claus, R Convery, MR Cristinziani, M Dingfelder, JC Dong, D Dorfan, J Dujmic, D Dunwoodie, W Fan, S Field, RC Glanzman, T Gowdy, SJ Hadig, T Halyo, V Hast, C Hryn'ova, T Innes, WR Kelsey, MH Kim, P Kocian, ML Leith, DWGS Libby, J Luitz, S Luth, V Lynch, HL Marsiske, H Menke, S Messner, R Muller, DR O'Grady, CP Ozcan, VE Perazzo, A Perl, M Ratcliff, BN Roodman, A Salnikov, AA Schindler, RH Schwiening, J Snyder, A Stelzer, J Su, D Sullivan, MK Suzuki, K Swain, S Thompson, JM Va'vra, J Weaver, M Wisniewski, WJ Wittgen, M Wright, DH Yarritu, AK Yi, K Young, CC Burchat, PR Edwards, AJ Majewski, SA Petersen, BA Roat, C Ahmed, M Ahmed, S Alam, MS Ernst, JA Saeed, MA Wappler, FR Zain, SB Bugg, W Krishnamurthy, M Spanier, SM Eckmann, R Ritchie, JL Satpathy, A Schwitters, RF Izen, JM Kitayama, I Lou, XC Ye, S Bianchi, F Bona, M Gallo, F Gamba, D Bomben, M Bosisio, L Cartaro, C Cossutti, F Della Ricca, G Dittongo, S Grancagnolo, S Lanceri, L Vitale, L Martinez-Vidal, F Panvini, RS Banerjee, S Bhuyan, B Brown, CM Fortin, D Hamano, K Kowalewski, R Roney, JM Sobie, RJ Back, JJ Harrison, PF Latham, TE Mohanty, GB Band, HR Chen, X Cheng, B Dasu, S Datta, M Eichenbaum, AM Flood, KT Graham, M Hollar, JJ Johnson, JR Kutter, PE Li, H Liu, R Mellado, B Mihalyi, A Pan, Y Prepost, R Tan, P von Wimmersperg-Toeller, JH Wu, SL Yu, Z Neal, H TI Determination of vertical bar V-ub vertical bar from measurements of the electron and neutrino momenta in inclusive semileptonic B decays SO PHYSICAL REVIEW LETTERS LA English DT Article ID MESON DECAYS; PHYSICS AB We present a determination of the Cabibbo-Kobayashi-Maskawa matrix element parallel to V(ub)parallel to based on the analysis of semileptonic B decays from a sample of 88x10(6) Upsilon(4S) decays collected with the BABAR detector at the SLAC PEP-II e(+)e(-) storage ring. Charmless semileptonic B decays are selected using measurements of the electron energy and the invariant mass squared of the electron-neutrino pair. We obtain parallel to V(ub)parallel to=(3.95 +/- 0.26(-0.42)(+0.58)+/- 0.25)x10(-3), where the errors represent experimental uncertainties, heavy quark parameter uncertainties, and theoretical uncertainties, respectively. C1 Phys Particules Lab, F-74941 Annecy Le Vieux, France. Univ Autonoma Barcelona, IFAE, E-08193 Barcelona, Spain. Univ Bari, Dipartimento Fis, I-70126 Bari, Italy. Ist Nazl Fis Nucl, I-70126 Bari, Italy. Inst High Energy Phys, Beijing 100039, Peoples R China. Univ Bergen, Dept Phys, N-5007 Bergen, Norway. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. Univ Birmingham, Birmingham B15 2TT, W Midlands, England. Ruhr Univ Bochum, Inst Expt Phys, D-44780 Bochum, Germany. Univ Bristol, Bristol BS8 1TL, Avon, England. Univ British Columbia, Vancouver, BC V6T 1Z1, Canada. 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Princeton Univ, Princeton, NJ 08544 USA. Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. Ist Nazl Fis Nucl, I-00185 Rome, Italy. Univ Rostock, D-18051 Rostock, Germany. Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. CEA Saclay, DSM Dapnia, F-91191 Gif Sur Yvette, France. Univ S Carolina, Columbia, SC 29208 USA. Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. Stanford Univ, Stanford, CA 94305 USA. SUNY Albany, Albany, NY 12222 USA. Univ Tennessee, Knoxville, TN 37996 USA. Univ Texas, Austin, TX 78712 USA. Univ Texas, Richardson, TX 75083 USA. Univ Turin, Dipartimento Fis Sperimentale, I-10125 Turin, Italy. Ist Nazl Fis Nucl, I-10125 Turin, Italy. Univ Trieste, Dipartmento Fis, I-34127 Trieste, Italy. Ist Nazl Fis Nucl, I-34127 Trieste, Italy. Univ Valencia, IFIC, CSIC, E-46071 Valencia, Spain. Vanderbilt Univ, Nashville, TN 37235 USA. Univ Victoria, Victoria, BC V8W 3P6, Canada. Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06511 USA. Univ Basilicata, I-85100 Potenza, Italy. RP Phys Particules Lab, F-74941 Annecy Le Vieux, France. RI Forti, Francesco/H-3035-2011; Rotondo, Marcello/I-6043-2012; Patrignani, Claudia/C-5223-2009; de Sangro, Riccardo/J-2901-2012; Sarti, Alessio/I-2833-2012; Peters, Klaus/C-2728-2008; de Groot, Nicolo/A-2675-2009; Lista, Luca/C-5719-2008; Bellini, Fabio/D-1055-2009; crosetti, nanni/H-3040-2011; Roe, Natalie/A-8798-2012; Neri, Nicola/G-3991-2012; Cavallo, Nicola/F-8913-2012; 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; Della Ricca, Giuseppe/B-6826-2013; Kravchenko, Evgeniy/F-5457-2015; Calabrese, Roberto/G-4405-2015; Mir, Lluisa-Maria/G-7212-2015; Martinez Vidal, F*/L-7563-2014; Kolomensky, Yury/I-3510-2015; Lo Vetere, Maurizio/J-5049-2012; Grancagnolo, Sergio/J-3957-2015; M, Saleem/B-9137-2013; Lusiani, Alberto/N-2976-2015; Morandin, Mauro/A-3308-2016; Lusiani, Alberto/A-3329-2016; Di Lodovico, Francesca/L-9109-2016; Pappagallo, Marco/R-3305-2016; Calcaterra, Alessandro/P-5260-2015; Frey, Raymond/E-2830-2016 OI Forti, Francesco/0000-0001-6535-7965; Rotondo, Marcello/0000-0001-5704-6163; Patrignani, Claudia/0000-0002-5882-1747; de Sangro, Riccardo/0000-0002-3808-5455; Sarti, Alessio/0000-0001-5419-7951; Peters, Klaus/0000-0001-7133-0662; Bellini, Fabio/0000-0002-2936-660X; Neri, Nicola/0000-0002-6106-3756; 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; Della Ricca, Giuseppe/0000-0003-2831-6982; Calabrese, Roberto/0000-0002-1354-5400; Mir, Lluisa-Maria/0000-0002-4276-715X; Martinez Vidal, F*/0000-0001-6841-6035; Kolomensky, Yury/0000-0001-8496-9975; Lo Vetere, Maurizio/0000-0002-6520-4480; Grancagnolo, Sergio/0000-0001-8490-8304; Lusiani, Alberto/0000-0002-6876-3288; Morandin, Mauro/0000-0003-4708-4240; Lusiani, Alberto/0000-0002-6876-3288; Di Lodovico, Francesca/0000-0003-3952-2175; Pappagallo, Marco/0000-0001-7601-5602; Calcaterra, Alessandro/0000-0003-2670-4826; Frey, Raymond/0000-0003-0341-2636 NR 28 TC 72 Z9 73 U1 0 U2 5 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 SEP 9 PY 2005 VL 95 IS 11 AR 111801 DI 10.1103/PhysRevLett.95.111801 PG 7 WC Physics, Multidisciplinary SC Physics GA 963KA UT WOS:000231802000020 PM 16383973 ER PT J AU Gedik, N Langner, M Orenstein, J Ono, S Abe, Y Ando, Y AF Gedik, N Langner, M Orenstein, J Ono, S Abe, Y Ando, Y TI Abrupt transition in quasiparticle dynamics at optimal doping in a cuprate superconductor system SO PHYSICAL REVIEW LETTERS LA English DT Article ID CONDUCTIVITY; TIME; TC AB We report time-resolved measurements of the photoinduced change in reflectivity, Delta R, in the Bi2Sr2Ca1-yDyyCu2O8+delta (BSCCO) system of cuprate superconductors as a function of hole concentration. We find that the kinetics of quasiparticle decay and the sign of Delta R both change abruptly where the superconducting transition temperature T-c is maximal. These coincident changes suggest that a sharp transition in quasiparticle dynamics takes place precisely at optimal doping in the BSCCO system. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Elect Power Ind, Cent Res Inst, Tokyo 2018511, Japan. RP CALTECH, Lab Mol Sci, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91125 USA. EM gedik@caltech.edu RI Ando, Yoichi/B-8163-2013; Orenstein, Joseph/I-3451-2015 OI Ando, Yoichi/0000-0002-3553-3355; NR 30 TC 61 Z9 62 U1 0 U2 16 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 SEP 9 PY 2005 VL 95 IS 11 AR 117005 DI 10.1103/PhysRevLett.95.117005 PG 4 WC Physics, Multidisciplinary SC Physics GA 963KA UT WOS:000231802000059 PM 16197037 ER PT J AU Gorelik, LY Kulinich, SI Shekhter, RI Jonson, M Vinokur, VM AF Gorelik, LY Kulinich, SI Shekhter, RI Jonson, M Vinokur, VM TI Coulomb promotion of spin-dependent tunneling SO PHYSICAL REVIEW LETTERS LA English DT Article ID CONDUCTANCE; TRANSPORT AB We study transport of spin-polarized electrons through a magnetic single-electron transistor ( SET) in the presence of an external magnetic field. Assuming the SET to have a nanometer size central island with a single-electron level we find that the interplay on the island between coherent spin-flip dynamics and Coulomb interactions can make the Coulomb correlations promote rather than suppress the current through the device. We find the criteria for this new phenomenon-Coulomb promotion of spin-dependent tunneling- to occur. C1 Chalmers Univ Technol, Dept Appl Phys, SE-41296 Gothenburg, Sweden. BI Verkin Inst Low Temp Phys & Engn, UA-61103 Kharkov, Ukraine. Univ Gothenburg, Dept Phys, SE-41296 Gothenburg, Sweden. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Gorelik, LY (reprint author), Chalmers Univ Technol, Dept Appl Phys, SE-41296 Gothenburg, Sweden. RI Jonson, Mats/D-6545-2011 NR 17 TC 31 Z9 31 U1 1 U2 2 PU AMERICAN 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 SEP 9 PY 2005 VL 95 IS 11 AR 116806 DI 10.1103/PhysRevLett.95.116806 PG 4 WC Physics, Multidisciplinary SC Physics GA 963KA UT WOS:000231802000054 PM 16197032 ER PT J AU Hall, LJ Murayama, H Perez, G AF Hall, LJ Murayama, H Perez, G TI Electroweak baryogenesis from late neutrino masses SO PHYSICAL REVIEW LETTERS LA English DT Article ID MODEL CP-VIOLATION; STANDARD MODEL; BARYON ASYMMETRY; PHASE-TRANSITION; LEPTOGENESIS; PHYSICS; SCALE; LIGHT AB Electroweak baryogenesis, given a first-order phase transition, does not work in the standard model because the quark Yukawa matrices are too hierarchical. On the other hand, the neutrino mass matrix is apparently not hierarchical. In models with neutrino mass generation at low scales, the neutrino Yukawa couplings lead to large CP violation in the reflection probability of heavy leptons by the expanding Higgs bubble wall, and can generate the observed baryon asymmetry of the universe. The mechanism predicts new vectorlike leptons below the TeV scale and sizable mu -> e processes. C1 Ernest Orlando Lawrence Berkeley Natl Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Ernest Orlando Lawrence Berkeley Natl Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. RI Murayama, Hitoshi/A-4286-2011 NR 48 TC 8 Z9 8 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 SEP 9 PY 2005 VL 95 IS 11 AR 111301 DI 10.1103/PhysRevLett.95.111301 PG 4 WC Physics, Multidisciplinary SC Physics GA 963KA UT WOS:000231802000019 PM 16196997 ER PT J AU Hur, MS Lindberg, RR Charman, AE Wurtele, JS Suk, H AF Hur, MS Lindberg, RR Charman, AE Wurtele, JS Suk, H TI Electron kinetic effects on raman backscatter in plasmas SO PHYSICAL REVIEW LETTERS LA English DT Article ID LASER-PULSE AMPLIFICATION; COMPRESSION AB We augment the usual three-wave cold-fluid equations governing Raman backscatter (RBS) with a new kinetic thermal correction, proportional to an average of particle kinetic energy weighted by the ponderomotive phase. From closed-form analysis within a homogeneous kinetic three-wave model and ponderomotively averaged kinetic simulations in a more realistic pulsed case, the magnitude of these new contributions is shown to be a measure of the dynamical detuning between the pump laser, seed laser, and Langmuir wave. Saturation of RBS is analyzed, and the role of trapped particles illuminated. Simple estimates show that a small fraction of trapped particles (similar to 6%) can significantly suppress backscatter. We discuss the best operating regime of the Raman plasma amplifier to reduce these deleterious kinetic effects. C1 KERI, Ctr Adv Accelerators, Chang Won 641120, Kyongnam, South Korea. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Ctr Beam Phys, Berkeley, CA 94720 USA. RP Hur, MS (reprint author), KERI, Ctr Adv Accelerators, Chang Won 641120, Kyongnam, South Korea. EM RL236@socrates.berkeley.edu; hysuk@keri.re.kr RI wurtele, Jonathan/J-6278-2016 OI wurtele, Jonathan/0000-0001-8401-0297 NR 13 TC 35 Z9 35 U1 0 U2 4 PU AMERICAN 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 SEP 9 PY 2005 VL 95 IS 11 AR 115003 DI 10.1103/PhysRevLett.95.115003 PG 4 WC Physics, Multidisciplinary SC Physics GA 963KA UT WOS:000231802000035 PM 16197013 ER PT J AU Lee, G Guo, JD Plummer, EW AF Lee, G Guo, JD Plummer, EW TI Real-space observation of nanoscale inhomogeneities and fluctuations in a phase transition of a surface quasi-one-dimensional system: In/Si(111) SO PHYSICAL REVIEW LETTERS LA English DT Article ID CHARGE-DENSITY-WAVE; QUANTUM CHAINS; SILICON AB We report direct visualizations of the fluctuation and condensation phenomena in a phase transition of a one-dimensional (1D) In/Si(111) system using scanning tunneling microscopy. The high-temperature (HT) and low-temperature (LT) phases are found to coexist on the nanometer scale near T-c. Above T-c, 1D LT-phase stripes fluctuate in the HT phase and coalesce into 2D islands with decreasing temperature. They condense to make the LT phase below T-c. Small areas of the HT phase also exist below T-c. The observed temperature-dependent evolution of the nanoscale inhomogeneities is consistent with the theoretical predictions for a second-order phase transition. C1 Inha Univ, Dept Phys, Inchon 402751, South Korea. Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. RP Lee, G (reprint author), Inha Univ, Dept Phys, Inchon 402751, South Korea. EM glee@inha.ac.kr RI Guo, Jiandong/F-2081-2015 OI Guo, Jiandong/0000-0002-7893-022X NR 21 TC 42 Z9 42 U1 2 U2 7 PU AMERICAN 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 SEP 9 PY 2005 VL 95 IS 11 AR 116103 DI 10.1103/PhysRevLett.95.116103 PG 4 WC Physics, Multidisciplinary SC Physics GA 963KA UT WOS:000231802000045 PM 16197023 ER PT J AU Leite, VBP Alonso, LCP Newton, M Wang, J AF Leite, VBP Alonso, LCP Newton, M Wang, J TI Single molecule electron transfer dynamics in complex environments SO PHYSICAL REVIEW LETTERS LA English DT Article ID RANDOM-ENERGY MODEL; SOLVENT DYNAMICS; HEME-PROTEINS; LANDSCAPES; INTERMITTENCY; KINETICS; BINDING AB We propose a new theoretical approach to study the kinetics of the electron transfer (ET) under the dynamical influence of the complex environments with the first passage times (FPT) of the reaction events. By measuring the mean and high order moments of FPT and their ratios, the full kinetics of ET, especially the dynamical transitions across different temperature zones, is revealed. The potential applications of the current results to single molecule electron transfer are discussed. C1 Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Electroanalyt Chem, Changchun 130022, Peoples R China. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. SUNY Stony Brook, Dept Phys, Stony Brook, NY 11794 USA. RP Univ Estadual Paulista, IBILCE, Dept Fis, BR-15054000 Sao Jose do Rio Preto, SP, Brazil. EM vleite@ibilce.unesp.br RI Leite, Vitor/E-3550-2012 NR 27 TC 26 Z9 27 U1 1 U2 3 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 SEP 9 PY 2005 VL 95 IS 11 AR 118301 DI 10.1103/PhysRevLett.95.118301 PG 4 WC Physics, Multidisciplinary SC Physics GA 963KA UT WOS:000231802000074 PM 16197052 ER PT J AU Willey, TM Bostedt, C van Buuren, T Dahl, JE Liu, SG Carlson, RMK Terminello, LJ Moller, T AF Willey, TM Bostedt, C van Buuren, T Dahl, JE Liu, SG Carlson, RMK Terminello, LJ Moller, T TI Molecular limits to the quantum confinement model in diamond clusters SO PHYSICAL REVIEW LETTERS LA English DT Article ID RAY-ABSORPTION SPECTROSCOPY; ELECTRONIC-PROPERTIES; NANOCRYSTALS; HYDROCARBONS; SURFACES AB The electronic structure of monodispersed, hydrogen-passivated diamond clusters (diamondoids) in the gas phase has been studied with x-ray absorption spectroscopy. The data show that the bulk-related unoccupied states do not exhibit any quantum confinement. Additionally, density of states below the bulk absorption edge appears, consisting of features correlated to CH and CH2 hydrogen surface termination, resulting in an effective redshift of the lowest unoccupied states. The results contradict the commonly used and very successful quantum confinement model for semiconductors, which predicts increasing band edge blueshifts with decreasing particle size. Our findings indicate that in the ultimate size limit for nanocrystals a more molecular description is necessary. C1 DESY, Hamburger Synchrontronstschlungslab HASYLAB, D-2000 Hamburg, Germany. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Tech Univ Berlin, D-10623 Berlin, Germany. Chevron, Mol Diamond Technol, Richmond, CA 94802 USA. RP Bostedt, C (reprint author), DESY, Hamburger Synchrontronstschlungslab HASYLAB, Notkestr 85, D-2000 Hamburg, Germany. EM bostedt@physik.tu-berlin.de RI Willey, Trevor/A-8778-2011 OI Willey, Trevor/0000-0002-9667-8830 NR 20 TC 73 Z9 73 U1 0 U2 14 PU AMERICAN 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 SEP 9 PY 2005 VL 95 IS 11 AR 113401 DI 10.1103/PhysRevLett.95.113401 PG 4 WC Physics, Multidisciplinary SC Physics GA 963KA UT WOS:000231802000025 PM 16197003 ER PT J AU Zhou, XJ Shi, JR Yoshida, T Cuk, T Yang, WL Brouet, V Nakamura, J Mannella, N Komiya, S Ando, Y Zhou, F Ti, WX Xiong, JW Zhao, ZX Sasagawa, T Kakeshita, T Eisaki, H Uchida, S Fujimori, A Zhang, ZY Plummer, EW Laughlin, RB Hussain, Z Shen, ZX AF Zhou, XJ Shi, JR Yoshida, T Cuk, T Yang, WL Brouet, V Nakamura, J Mannella, N Komiya, S Ando, Y Zhou, F Ti, WX Xiong, JW Zhao, ZX Sasagawa, T Kakeshita, T Eisaki, H Uchida, S Fujimori, A Zhang, ZY Plummer, EW Laughlin, RB Hussain, Z Shen, ZX TI Multiple bosonic mode coupling in the electron self-energy of (La2-xSrx)CuO4 SO PHYSICAL REVIEW LETTERS LA English DT Article ID MAGNETIC EXCITATIONS; SUPERCONDUCTORS; LA2-XSRXCUO4; FLUCTUATIONS AB High resolution angle-resolved photoemission spectroscopy data along the (0, 0)-(pi,pi) nodal direction with significantly improved statistics reveal fine structure in the electron self-energy of the underdoped (La2-xSrx)CuO4 samples in the normal state. Fine structure at energies of (40-46) meV and (58-63) meV, and possible fine structure at energies of ( 23 - 29) meV and ( 75 - 85) meV, have been identified. These observations indicate that, in (La2-xSrx) CuO4, more than one bosonic modes are involved in the coupling with electrons. C1 Stanford Univ, Dept Phys, Stanford, CA 94305 USA. Stanford Univ, Stanford Synchrotron Radiat Lab, Stanford, CA 94305 USA. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. Univ Tokyo, Dept Complex Sci & Engn, Chiba 277856, Japan. Elect Power Ind, Cent Res Inst, Tokyo 2018511, Japan. Chinese Acad Sci, Inst Phys, Natl Lab Superconduct, Beijing 100080, Peoples R China. Univ Tokyo, Dept Adv Mat Sci, Tokyo, Japan. Univ Tokyo, Dept Superconduct, Bunkyo Ku, Tokyo 113, Japan. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RP Stanford Univ, Dept Phys, Stanford, CA 94305 USA. RI Shi, Junren/D-5156-2009; Ando, Yoichi/B-8163-2013; Sasagawa, Takao/E-6666-2014; Yang, Wanli/D-7183-2011 OI Ando, Yoichi/0000-0002-3553-3355; Sasagawa, Takao/0000-0003-0149-6696; Yang, Wanli/0000-0003-0666-8063 NR 24 TC 125 Z9 126 U1 0 U2 14 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 SEP 9 PY 2005 VL 95 IS 11 AR 117001 DI 10.1103/PhysRevLett.95.117001 PG 4 WC Physics, Multidisciplinary SC Physics GA 963KA UT WOS:000231802000055 PM 16197033 ER PT J AU Aspuru-Guzik, A Dutoi, AD Love, PJ Head-Gordon, M AF Aspuru-Guzik, A Dutoi, AD Love, PJ Head-Gordon, M TI Simulated quantum computation of molecular energies SO SCIENCE LA English DT Article AB The calculation time for the energy of atoms and molecules scales exponentially with system size on a classical computer but polynomially using quantum algorithms. We demonstrate that such algorithms can be applied to problems of chemical interest using modest numbers of quantum bits. Calculations of the water and lithium hydride molecular ground-state energies have been carried out on a quantum computer simulator using a recursive phase-estimation algorithm. The recursive algorithm reduces the number of quantum bits required for the readout register from about 20 to 4. Mappings of the molecular wave function to the quantum bits are described. An adiabatic method for the preparation of a good approximate ground-state wave function is described and demonstrated for a stretched hydrogen molecule. The number of quantum bits required scales linearly with the number of basis functions, and the number of gates required grows polynomially with the number of quantum bits. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. D Wave Syst Inc, Burnaby, BC V5C 6G9, Canada. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Aspuru-Guzik, A (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM alan@aspuru.com RI Aspuru-Guzik, Alan/A-4984-2008 OI Aspuru-Guzik, Alan/0000-0002-8277-4434 NR 14 TC 178 Z9 179 U1 10 U2 36 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 SEP 9 PY 2005 VL 309 IS 5741 BP 1704 EP 1707 DI 10.1126/science.1113479 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 963WK UT WOS:000231836700038 PM 16151006 ER PT J AU Benitez, JJ de la Fuente, OR Diez-Perez, I Sanz, F Salmeron, M AF Benitez, JJ de la Fuente, OR Diez-Perez, I Sanz, F Salmeron, M TI Dielectric properties of self-assembled layers of octadecylamine on mica in dry and humid environments SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID POLARIZATION FORCE MICROSCOPY; CAPILLARY PHENOMENA; WATER; MONOLAYERS; SURFACES AB Atomic force microscopy operating in noncontact electrostatic force mode was used to study the interaction of water with films of alkylamines and alkylsilanes on mica. The films efficiently block water adsorption except in exposed mica areas, where it strongly modifies the mobility of surface ions. We also studied the molecular orientation of octadecylamine molecules forming monolayers and multilayer islands. In monolayer films the molecules bind to mica through the amino group, producing a positive contact potential relative to mica (dipole pointing up). In multilayer films the methyl and amino group terminations are exposed in alternating layers that give rise to alternating values of the contact potential. These findings correlate with low and high friction forces measured in the methyl termination and amino terminations. (c) 2005 American Institute of Physics. C1 Univ Seville, CSIC, Ctr Mixto, Inst Ciencia Mat Sevilla, Seville 41092, Spain. Univ Complutense, Dept Fis Mat, E-28040 Madrid, Spain. Univ Barcelona, Lab Electroquim & Mat, Barcelona, Spain. Univ Calif Berkeley, Div Sci Mat, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Salmeron, M (reprint author), Univ Seville, CSIC, Ctr Mixto, Inst Ciencia Mat Sevilla, Seville 41092, Spain. EM cbross@lbl.gov RI Rodriguez, Oscar/B-7118-2011; Diez-Perez, Ismael/F-6402-2014; Benitez, Jose J/K-5662-2014 OI Rodriguez, Oscar/0000-0002-6888-459X; Diez-Perez, Ismael/0000-0003-0513-8888; Benitez, Jose J/0000-0002-3222-0564 NR 19 TC 7 Z9 7 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 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD SEP 8 PY 2005 VL 123 IS 10 AR 104706 DI 10.1063/1.1927507 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 964MU UT WOS:000231886000037 PM 16178617 ER PT J AU Hansen, N Wodtke, AM Goncher, SJ Robinson, JC Sveum, NE Neumark, DM AF Hansen, N Wodtke, AM Goncher, SJ Robinson, JC Sveum, NE Neumark, DM TI Photofragment translation spectroscopy of ClN3 at 248 nm: Determination of the primary and secondary dissociation pathways SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID 1.315 MU-M; CHLORINE AZIDE; ENERGY-TRANSFER; PHOTODISSOCIATION DYNAMICS; CHAIN DECOMPOSITION; BRANCHING RATIO; NCL(A(1)DELTA); IODINE; LASER; CIN3 AB Photofragmentation translational spectroscopy was used to identify the primary and secondary reaction pathways in the KrF laser (248 nm) photodissociation of chlorine azide (ClN3) under collision-free conditions. Both the molecular channel producing NCl (X (3)Sigma,a (1)Delta)+N-2 and the radical channel producing Cl (P-2(J))+N-3 were analyzed in detail. Consistent with previously reported velocity map ion imaging experiments [N. Hansen and A. M. Wodtke, J. Phys. Chem. A 107, 10608 (2003)] a bimodal translational energy distribution is seen when Cl atoms are monitored at m/z=35(Cl+). Momentum-matched N-3 counterfragments can be seen at m/z=42(N-3(+)). The characteristics of the observed radical-channel data reflect the formation of linear azide radical and another high-energy form of N-3 (HEF-N-3) that exhibits many of the characteristics one would expect from cyclic N-3. HEF-N-3 can be directly detected by electron-impact ionization more than 100 mu s after its formation. Products of the unimolecular dissociation of HEF-N-3 are observed in the m/z=14(N+) and m/z=28(N-2(+)) data. Anisotropy parameters were determined for the primary channels to be beta=-0.3 for the NCl forming channel and beta=1.7 and beta=0.4 for the linear N-3 and HEF-N-3 forming channels, respectively. There is additional evidence for secondary photodissociation of N-3 and of NCl. (c) 2005 American Institute of Physics. C1 Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA. Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Hansen, N (reprint author), Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA. EM nhansen@sandia.gov; wodtke@chem.ucsb.edu RI Neumark, Daniel/B-9551-2009; Hansen, Nils/G-3572-2012; Wodtke, Alec/I-4848-2012; OI Neumark, Daniel/0000-0002-3762-9473; Wodtke, Alec/0000-0002-6509-2183 NR 37 TC 26 Z9 26 U1 2 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 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD SEP 8 PY 2005 VL 123 IS 10 AR 104305 DI 10.1063/1.1948381 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 964MU UT WOS:000231886000015 PM 16178595 ER PT J AU Hirst, LS Pynn, R Bruinsma, RF Safinya, CR AF Hirst, LS Pynn, R Bruinsma, RF Safinya, CR TI Hierarchical self-assembly of actin bundle networks: Gels with surface protein skin layers SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-SIZE DISTRIBUTION; ALPHA-ACTININ; MECHANICAL-PROPERTIES; PHASE-TRANSITION; POLYMER GELS; GELATION; AGGREGATION; DETERMINES; DEPENDENCE; MEMBRANES AB The networklike structure of actin bundles formed with the cross-linking protein alpha-actinin has been investigated via x-ray scattering and confocal fluorescence microscopy over a wide range of alpha-actinin/F-actin ratios. We describe the hierarchical structure of bundle gels formed at high ratios. Isotropic actin bundle gels form via cluster-cluster aggregation in the diffusion-limited aggregation regime at high alpha-actinin/actin ratios. This process is clearly observed by confocal fluorescence microscopy. Polylysine is investigated as an alternative bundling agent in the high-ratio regime and the effects of F-actin length are also discussed. One particularly fascinating aspect of this system is the presence of a structured skin layer at the gel/water interface. Confocal microscopy has elucidated the full three-dimensional structure of this layer and revealed several interesting morphologies. The protein skin layer is a micron-scale structure composed of a directed network of bundles and exhibits flat, crumpled, and tubelike shapes. We show that crumpling of the skin layer results from stresses due to the underlying gel. These biologically based geometric structures may detach from the gel, demonstrating potential for the generation of biological scaffolds with defined shapes for applications in cell encapsulation and tissue engineering. We demonstrate manipulation of the skin layer, producing hemispherical structures in solution. (c) 2005 American Institute of Physics. C1 Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. Univ Calif Santa Barbara, Mol Cellular & Dev Biol Dept, Santa Barbara, CA 93106 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. RP Safinya, CR (reprint author), Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. EM Safinya@mrl.ucsb.edu RI Hirst, Linda/A-4862-2008; OI Hirst, Linda/0000-0002-8306-9366; Safinya, Cyrus/0000-0002-3295-7128 FU NIGMS NIH HHS [GM-59288] NR 33 TC 17 Z9 17 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 SEP 8 PY 2005 VL 123 IS 10 AR 104902 DI 10.1063/1.1961229 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 964MU UT WOS:000231886000039 PM 16178619 ER PT J AU Petrova, T Steuber, H Hazemann, I Cousido-Siah, A Mitschler, A Chung, R Oka, M Icebe, G El-Kabbani, O Joachimiak, A Podjarny, A AF Petrova, T Steuber, H Hazemann, I Cousido-Siah, A Mitschler, A Chung, R Oka, M Icebe, G El-Kabbani, O Joachimiak, A Podjarny, A TI Factorizing selectivity determinants of inhibitor binding toward aldose and aldehyde reductases: Structural and thermodynamic properties of the aldose reductase mutant Leu300Pro-fidarestat complex SO JOURNAL OF MEDICINAL CHEMISTRY LA English DT Article ID RESOLUTION DRUG DESIGN; DIABETIC COMPLICATIONS; STEREOSPECIFIC INTERACTION; ACTIVE-SITE; HOLOENZYME; FIDARESTAT; SPECIFICITY; CLONING; POCKET AB Structure of the Leu300Pro mutant of human aldose reductase (ALR2) in complex with the inhibitor fidarestat is determined. Comparison with the hA-LR2-fidarestat complex and the porcine aldehyde reductase (ALR1)-fidarestat complex indicates that the hydrogen bond between the Leu300 amino group of the wild-type and the exocyclic amide group of the inhibitor is the key determinant for the specificity of fidarestat for ALR2 over ALR1. Thermodynamic data also suggest an enthalpic contribution as the predominant difference in the binding energy between the aldose reductase mutant and the wild-type. An additional selectivity-determining feature is the difference in the interaction between the inhibitor and the side chain of Trp219, ordered in the present structure but disordered (corresponding Trp220) in the ALR1-fidarestat complex. Thus, the hydrogen bond (similar to 7 kJ/mol) corresponds to a 23-fold difference in inhibitor potency while the differences in the interactions between Trp219(ALR2) and fidarestat and between Trp220(ALR1) and fidarestat can account for an additional 10-fold difference in potency. C1 IGBMC, CNRS, UMR 7104, Lab Genome & Biol Struct, F-67404 Illkirch Graffenstaden, France. Univ Marburg, Dept Pharmaceut Chem, D-35032 Marburg, Germany. Monash Univ, Victorian Coll Pharm, Dept Med Chem, Parkville, Vic 3052, Australia. Sanwa Kagaku Kenkyusyo Co Ltd, Inabe, Mie 5110406, Japan. Argonne Natl Lab, Struct Biol Ctr, Biosci Div, Argonne, IL 60439 USA. RP Podjarny, A (reprint author), IGBMC, CNRS, UMR 7104, Lab Genome & Biol Struct, 1 Rue Laurent Fries,BP 10142, F-67404 Illkirch Graffenstaden, France. EM podjarny@titus.u-strasbg.fr RI Petrova, Tatiana/N-1578-2013; OI Petrova, Tatiana/0000-0002-8032-2629; Podjarny, Alberto/0000-0002-7685-1077 NR 38 TC 30 Z9 31 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0022-2623 J9 J MED CHEM JI J. Med. Chem. PD SEP 8 PY 2005 VL 48 IS 18 BP 5659 EP 5665 DI 10.1021/jm050424+ PG 7 WC Chemistry, Medicinal SC Pharmacology & Pharmacy GA 962OV UT WOS:000231743000007 PM 16134934 ER PT J AU Srinivasan, NK Su, MC Sutherland, JW Michael, JV AF Srinivasan, NK Su, MC Sutherland, JW Michael, JV TI reflected shock tube studies of high-temperature rate constants for CH3+O-2, H2CO+O-2, and OH+O-2 SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID RATE COEFFICIENT MEASUREMENTS; POTENTIAL-ENERGY SURFACE; CHEMICAL KINETIC DATABASE; THERMAL-DECOMPOSITION; MULTIPASS ABSORPTION; COMBUSTION CHEMISTRY; CH4 DISSOCIATION; ATOM ABSORPTION; METHYL RADICALS; CARBON-MONOXIDE AB The reflected shock tube technique with multipass absorption spectrometric detection of OH-radicals at 308 nm, corresponding to a total path length of similar to 2.8 m, has been used to study the reaction CH3 + O-2 - CH2O + OH. Experiments were performed between 1303 and 2272 K, using ppm quantities of CH3I (methyl source) and 5-10% O-2, diluted with Kr as the bath gas at test pressures less than 1 atm. We have also reanalyzed our earlier ARAS measurements for the atomic channel (CH3 + O-2 -> CH3O + O) and have compared both these results with other earlier studies to derive a rate expression of the Arrhenius forrn. The derived expressions, in units of cm(3) molecule(-1) s(-1), are k = 3.11 X 10(-13) exp(-4953 K/T) over the T-range 1237-2430 K, for the OH-channel, and k = 1.253 x 10(-11) exp(-14241K/T) over the T-range 1250-2430 K, for the O-atom channel. Since CH2O is a major product in both reactions, reliable rates for the reaction CH2O + O-2 -> HCO + HO2 could be derived from [OH](t) and [0], experiments over the T-range 1587-2109 K. The combined linear least-squares fit result, k = 1.34 x 10(-8) exp(-26883 KIT) cm(3) molecule(-1) s(-1), and a recent VTST calculation clearly overlap within the uncertainties in both studies. Finally, a high sensitivity for the reaction OH + O-2 -> HO2 + O was noted at high temperature in the O-atom data set simulations. The values for this obtained by fitting the O-atom data sets at later times (similar to 1.2 ms) again follow the Arrhenius form, k = 2.56 x 10(-10) exp(-24145 K/T) cm(3) molecule(-1) s(-1), over the T-range, 1950-2100 K. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Michael, JV (reprint author), Argonne Natl Lab, Div Chem, D-193,Bldg 200, Argonne, IL 60439 USA. EM Michael@anlchm.chm.anl.gov RI Michael, Joe/E-3907-2010 NR 64 TC 33 Z9 33 U1 1 U2 10 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 SEP 8 PY 2005 VL 109 IS 35 BP 7902 EP 7914 DI 10.1021/jp0581330 PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 961UK UT WOS:000231687100011 PM 16834172 ER PT J AU Shao, MH Adzic, RR AF Shao, MH Adzic, RR TI Spectroscopic identification of the reaction intermediates in oxygen reduction on gold in alkaline solutions SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Letter ID INFRARED-ABSORPTION SPECTROSCOPY; SINGLE-CRYSTAL ELECTRODES; SITU ATR-SEIRAS; ACID-SOLUTIONS; IR SPECTROSCOPY; CARBON-MONOXIDE; SURFACE; ELECTROCATALYSIS; ELECTROOXIDATION; FILMS AB Surface enhanced infrared reflection- absorption spectroscopy with an attentuated total reflection configuration (ATR-SEIRAS) was used for the first time to identify the intermediates of the oxygen reduction reaction (ORR) on gold electrodes. Our study employed a Au thin-film electrode in acidic and alkaline solutions. In alkaline solutions, a potential dependent band at 1268 cm(-1), which we assigned to the antisymmetric bending mode of OOH of adsorbed HO2-, was observed between 0. 1 and -0.6 V versus Ag vertical bar AgCl, Cl-, exactly in the potential range where the ORR occurred. The assignment was supported by our isotope exchange experiment. The adsorbed HO2- is a reaction intermediate in the 4e(-) serial mechanism. In acidic solutions, there was only a very weak band at the same position, reflecting the fast protonation of HO2-. This finding may imply that the interaction between HO2- and An surfaces is very weak in acidic solutions, in agreement with the observed 2e(-) reduction mechanism. C1 Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. RP Adzic, RR (reprint author), Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. EM adzic@bnl.gov OI Shao, Minhua/0000-0003-4496-0057 NR 44 TC 57 Z9 57 U1 3 U2 42 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 SEP 8 PY 2005 VL 109 IS 35 BP 16563 EP 16566 DI 10.1021/jp053450s PG 4 WC Chemistry, Physical SC Chemistry GA 961UN UT WOS:000231687400001 PM 16853105 ER PT J AU Chen, LX Shaw, GB Tiede, DM Zuo, XB Zapol, P Redfern, PC Curtiss, LA Sooksimuang, T Mandal, BK AF Chen, LX Shaw, GB Tiede, DM Zuo, XB Zapol, P Redfern, PC Curtiss, LA Sooksimuang, T Mandal, BK TI Excited state dynamics and structures of functionalized phthalocyanines. 1. Self-regulated assembly of zinc helicenocyanine SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID NONLINEAR-OPTICAL RESPONSE; SUBSTITUTED PHTHALOCYANINES; ELECTRONIC-STRUCTURE; SYSTEMATIC PREPARATION; METAL PHTHALOCYANINES; SEMIEMPIRICAL METHODS; ORBITAL SETS; COMPLEXES; METALLOPHTHALOCYANINES; AGGREGATION AB Recently synthesized zinc helicenocyanine (ZnHc), where four helicene groups are fused with a phthalocyanine (Pc) core through all-carbon linkages, exhibits an unusually strong tendency of forming soluble molecular aggregates in organic solvents. The aggregation results in a strong optical absorption across most of the visible region, which is drastically different from that of its monomer. The aggregation is suppressed by dissolving ZnHc in a liquid crystal, octylbiphenylcarbonitrile (OBCN), where the monomer ZnHc dominates and exhibits a typical optical absorption spectrum of monomeric zinc phthalocyanine, except red shift in both Q- and B- bands due to pi-conjugation expansion. This study correlates optical properties and excited state dynamics of ZnHc with intra- and intermolecular electronic interactions, using quantum mechanical calculations and ultrafast transient absorption spectroscopy. Structural details of the aggregates are revealed by smallangle X-ray scattering (SAXS) to be uniformly dimers with alkoxy chains wrapped around the core of a face-to-face dimer. The results suggest that while the peripheral helicene moieties in ZnHc are electronically coupled to the Pc core via expansion of the :pi-conjugation of the macrocycle, the coupling is attenuated by the "lock washer" conformation of the nonplanar peripheral helicenes which prevents pi-conjugation throughout the entire macrocycle. The interplay between,T-conjugation expansion in the macrocyle plane and the pi-pi stacking out of the macrocyle plane produces a structure that facilitates the unique optical properties and self-regulated assembly into nanoscale structures in solution. These novel optical properties are explored for potential applications in various areas. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. IIT, Dept Biol Chem & Phys Sci, Chicago, IL 60616 USA. RP Chen, LX (reprint author), Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RI Zuo, Xiaobing/F-1469-2010; Zapol, Peter/G-1810-2012; Sooksimuang, Thanasat/C-8796-2013 OI Zapol, Peter/0000-0003-0570-9169; NR 75 TC 16 Z9 16 U1 3 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD SEP 8 PY 2005 VL 109 IS 35 BP 16598 EP 16609 DI 10.1021/jp051947w PG 12 WC Chemistry, Physical SC Chemistry GA 961UN UT WOS:000231687400008 PM 16853112 ER PT J AU Eres, G Kinkhabwala, AA Cui, HT Geohegan, DB Puretzky, AA Lowndes, DH AF Eres, G Kinkhabwala, AA Cui, HT Geohegan, DB Puretzky, AA Lowndes, DH TI Molecular beam-controlled nucleation and growth of vertically aligned single-wall carbon nanotube arrays SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; MULTILAYERED METAL-CATALYSTS; SOOT FORMATION; GAS-PHASE; CHEMISTRY; SURFACE; FLAMES; IRON; TEMPERATURE; FULLERENES AB The main obstacle to widespread application of single-wall carbon nanotubes is the lack of reproducible synthesis methods of pure material. We describe a new growth method for single-wall carbon nanotubes that uses molecular beams of precursor gases that impinge on a heated substrate coated with a catalyst thin film. In this growth environment the gas and the substrate temperature are decoupled and carbon nanotube growth occurs by surface reactions without contribution from homogeneous gas-phase reactions. This controlled reaction environment revealed that SWCNT growth is a complex multicomponent reaction in which not just C, but also H, and O play a critical role. These experiments identified acetylene as a prolific direct building block for carbon network formation that is an order of magnitude more efficient than other small-molecule precursors. The molecular jet experiments show that with optimal catalyst particle size the incidence rate of acetylene molecules plays a critical role in the formation of single-wall carbon nanotubes and dense vertically aligned arrays in which they are the dominant component. The threshold for vertically aligned growth, the growth rate, the diameter, and the number of walls of the carbon nanotubes are systematically correlated with the acetylene incidence rate and the substrate temperature. C1 Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Oak Ridge Natl Lab, Condensed Matter Sci Div, POB 2008, Oak Ridge, TN 37831 USA. EM eresg@ornl.gov RI Kinkhabwala, Anika/A-8214-2010; Puretzky, Alexander/B-5567-2016; Geohegan, David/D-3599-2013; Eres, Gyula/C-4656-2017 OI Puretzky, Alexander/0000-0002-9996-4429; Geohegan, David/0000-0003-0273-3139; Eres, Gyula/0000-0003-2690-5214 NR 47 TC 108 Z9 108 U1 2 U2 17 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 SEP 8 PY 2005 VL 109 IS 35 BP 16684 EP 16694 DI 10.1021/jp051531i PG 11 WC Chemistry, Physical SC Chemistry GA 961UN UT WOS:000231687400019 PM 16853123 ER PT J AU Wasylenko, W Frei, H AF Wasylenko, W Frei, H TI Direct observation of surface ethyl to ethane interconversion upon C2H4 hydrogenation over Pt/Al2O3 catalyst by time-resolved FT-IR spectroscopy SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID SUM-FREQUENCY GENERATION; REFLECTION-ABSORPTION SPECTROSCOPY; SINGLE-CRYSTAL SURFACES; PT(111) SURFACE; VIBRATIONAL SPECTROSCOPY; INFRARED-SPECTROSCOPY; IN-SITU; ETHENE; DESORPTION; DEHYDROGENATION AB Time-resolved FT-IR spectra of ethylene hydrogenation over alumina-supported Pt catalyst were recorded at 25 ms resolution in the temperature range of 323-473 K using various H-2 concentrations (1 atm total gas pressure). Surface ethyl species (2870 and 1200 cm(-1)) were detected at all temperatures along with the gas-phase ethane product (2954 and 2893 cm(-1)). The CH3CH2Pt growth was instantaneous on the time scale of 25 ms under all experimental conditions. At 323 K, the decay time of surface ethyl (122 10 ms) coincides with the rise time of ethane (144 +/- 14 ms). This establishes direct kinetic evidence for surface ethyl as the relevant reaction intermediate. Such a direct link between the temporal behavior of an unstable surface intermediate and the final product in a heterogeneous catalytic system has not been demonstrated before. A fraction (25%) of the asymptotic ethane growth at 323 K is prompt, indicating that there are surface ethyl species that react much faster than the majority of the CH3CH2Pt intermediates. The dispersive kinetics is attributed to the varying strength of interaction of the ethyl species with the Pt surface caused by heterogeneity of the surface environment. At 473 K, the majority of ethyl intermediates are hydrogenated prior to the recording of the first time slice (24 ms), and a correspondingly large prompt growth of ethane is observed. The yield and kinetics of the surface ethylidyne are in agreement with the known spectator nature of this species. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Frei, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. EM HMFrei@lbl.gov NR 42 TC 27 Z9 27 U1 1 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD SEP 8 PY 2005 VL 109 IS 35 BP 16873 EP 16878 DI 10.1021/jp053773o PG 6 WC Chemistry, Physical SC Chemistry GA 961UN UT WOS:000231687400043 PM 16853147 ER PT J AU Collin, D Ritort, F Jarzynski, C Smith, SB Tinoco, I Bustamante, C AF Collin, D Ritort, F Jarzynski, C Smith, SB Tinoco, I Bustamante, C TI Verification of the Crooks fluctuation theorem and recovery of RNA folding free energies SO NATURE LA English DT Article ID NONEQUILIBRIUM MEASUREMENTS; PULLING EXPERIMENTS; MECHANICAL FORCE; MOLECULES; EQUALITY; ERROR AB Atomic force microscopes and optical tweezers are widely used to probe the mechanical properties of individual molecules and molecular interactions, by exerting mechanical forces that induce transitions such as unfolding or dissociation. These transitions often occur under nonequilibrium conditions and are associated with hysteresis effects - features usually taken to preclude the extraction of equilibrium information from the experimental data. But fluctuation theorems(1-5) allow us to relate the work along nonequilibrium trajectories to thermodynamic free-energy differences. They have been shown to be applicable to single-molecule force measurements(6) and have already provided information on the folding free energy of a RNA hairpin(7,8). Here we show that the Crooks fluctuation theorem(9) can be used to determine folding free energies for folding and unfolding processes occurring in weak as well as strong nonequilibrium regimes, thereby providing a test of its validity under such conditions. We use optical tweezers(10) to measure repeatedly the mechanical work associated with the unfolding and refolding of a small RNA hairpin(11) and an RNA three-helix junction(12). The resultant work distributions are then analysed according to the theorem and allow us to determine the difference in folding free energy between an RNA molecule and a mutant differing only by one base pair, and the thermodynamic stabilizing effect of magnesium ions on the RNA structure. C1 Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. Merck & Co Inc, Automated Biotechnol Dept, N Wales, PA 19454 USA. Univ Barcelona, Fac Fis, Dept Fis Fonamental, E-08028 Barcelona, Spain. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Bustamante, C (reprint author), Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. EM ritort@ffn.ub.es; carlos@alice.berkeley.edu RI Jarzynski, Christopher/B-4490-2009 OI Jarzynski, Christopher/0000-0002-3464-2920 FU NIGMS NIH HHS [R01 GM010840] NR 30 TC 517 Z9 523 U1 9 U2 106 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD SEP 8 PY 2005 VL 437 IS 7056 BP 231 EP 234 DI 10.1038/nature04061 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 961YE UT WOS:000231696900050 PM 16148928 ER PT J AU Sambashivan, S Liu, YS Sawaya, MR Gingery, M Eisenberg, D AF Sambashivan, S Liu, YS Sawaya, MR Gingery, M Eisenberg, D TI Amyloid-like fibrils of ribonuclease A with three-dimensional domain-swapped and native-like structure SO NATURE LA English DT Article ID DISULFIDE BRIDGES; CORE STRUCTURE; CYSTATIN-C; PROTEIN; AGGREGATION; FIBERS; MODEL AB Amyloid or amyloid-like fibrils are elongated, insoluble protein aggregates, formed in vivo(1) in association with neurodegenerative diseases or in vitro(2) from soluble native proteins, respectively. The underlying structure of the fibrillar or 'cross-beta' state has presented long-standing, fundamental puzzles of protein structure. These include whether fibril-forming proteins have two structurally distinct stable states, native and fibrillar, and whether all or only part of the native protein refolds as it converts to the fibrillar state. Here we show that a designed amyloid-like fibril of the well-characterized enzyme RNase A contains native-like molecules capable of enzymatic activity. In addition, these functional molecular units are formed from a core RNase A domain and a swapped complementary domain. These findings are consistent with the zipper-spine model(3) in which a cross-beta spine is decorated with three-dimensional domain-swapped functional units, retaining native-like structure. C1 Univ Calif Los Angeles, Howard Hughes Med Inst, UCLA DOE Inst Genom & Proteom, Los Angeles, CA 90095 USA. RP Eisenberg, D (reprint author), Univ Calif Los Angeles, Howard Hughes Med Inst, UCLA DOE Inst Genom & Proteom, Box 951570, Los Angeles, CA 90095 USA. EM david@mbi.ucla.edu OI Sawaya, Michael/0000-0003-0874-9043 NR 26 TC 178 Z9 180 U1 3 U2 35 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD SEP 8 PY 2005 VL 437 IS 7056 BP 266 EP 269 DI 10.1038/nature03916 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 961YE UT WOS:000231696900058 PM 16148936 ER PT J AU Rae, PJ Brown, EN AF Rae, PJ Brown, EN TI The properties of poly(tetrafluoroethylene) (PTFE) in tension SO POLYMER LA English DT Article DE polytetrafluoroethylene; PTFE; tension ID MECHANICAL-PROPERTIES; CRYSTAL-STRUCTURE; HIGH-PRESSURE; POLYTETRAFLUOROETHYLENE; MICROSTRUCTURE; DEFORMATION; TOUGHNESS; STRENGTH; FRACTURE; PHASE AB Samples of DuPont 7A and 7C Teflon (PTFE, poly(tetrafluoroethylene)) were tested in tension at strain-rates between 2 X 10(-4) and 0.1 s(-1) land temperatures between - 50 and 150 degrees C. Additionally, using a Hopkinson bar, a temperature series was undertaken in tension between - 50 and 23 degrees C at a strain rate of 800 s(-1). To investigate the small-strain response, strain gauges were used to measure axial and transverse strain allowing the Poisson ratio to be calculated. The effect of crystallinity was investigated using 7C material thermally processed to produce more amorphous material. As expected, the tensile mechanical properties of PTFE are significantly affected by strain-rate and temperature, but only to a limited extent by crystallinity. The Poisson ratio at small strains was found to differ in tension (approximate to 0.36) and compression (approximate to 0.46). Failure behavior and microstructure were correlated to temperature induced phase transitions. (c) 2005 Elsevier Ltd. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM USA. RP Rae, PJ (reprint author), Los Alamos Natl Lab, MST-8,MS-G755, Los Alamos, NM USA. EM prae@lanl.gov OI Brown, Eric/0000-0002-6812-7820 NR 44 TC 72 Z9 73 U1 6 U2 35 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0032-3861 J9 POLYMER JI Polymer PD SEP 8 PY 2005 VL 46 IS 19 BP 8128 EP 8140 DI 10.1016/j.polymer.2005.06.120 PG 13 WC Polymer Science SC Polymer Science GA 960EN UT WOS:000231573100036 ER PT J AU Kersley, L Pryse, SE Denton, MH Bust, G Fremouw, E Secan, J Jakowski, N Bailey, GJ AF Kersley, L Pryse, SE Denton, MH Bust, G Fremouw, E Secan, J Jakowski, N Bailey, GJ TI Radio tomographic imaging of the northern high-latitude ionosphere on a wide geographic scale SO RADIO SCIENCE LA English DT Article ID ELECTRON-DENSITY; MODEL; IMF AB [1] Several chains of receivers, measuring total electron content (TEC) during passes of satellites in the U. S. Navy Ionospheric Measuring System (NIMS), are operated at northern high latitudes by members of the International Ionospheric Tomography Community (IITC). Results are presented here of nearly simultaneous latitude-altitude images of the ionosphere over Scandinavia, Greenland, and Alaska, generated from IITC data obtained on 20 September 2001 and interpreted in the context of an IMF-dependent convection model. The images are compared with output from a coupled thermosphere-ionosphere-plasmasphere model and also with maps of high-latitude TEC generated from GPS measurements. With B-z and B-y both weakly negative, the images and map reveal plasma features of a two-cell convection pattern rotated slightly to earlier local magnetic times. The tomographic images provide details of map features such as a tongue of ionization created by solar EUV radiation on the dayside and entrained by convection into the polar cap from the western Russian sector. Combining latitude versus altitude tomographic images generated in different longitudinal sectors from polar-orbiting beacon satellites such as those of NIMS with TEC maps from GPS offers an emerging opportunity for polar aeronomic studies, especially if further related to synoptic convection measurements. The results also demonstrate the potential role of wide-scale radio tomography in the verification of ionospheric models. C1 Univ Wales, Inst Math & Phys Sci, Aberystwyth SY23 3BZ, Dyfed, Wales. Univ Sheffield, Dept Appl Math, Sheffield S3 7RH, S Yorkshire, England. Univ Texas, Appl Res Labs, Austin, TX 78713 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NW Res Associates Inc, Bellevue, WA 98009 USA. Deutsch Zentrum Luft & Raumfahrt, D-17235 Neustrelitz, Germany. NW Res Associates Inc, Tucson, AZ 85719 USA. RP Kersley, L (reprint author), Univ Wales, Inst Math & Phys Sci, Aberystwyth SY23 3BZ, Dyfed, Wales. EM lek@aber.ac.uk OI Denton, Michael/0000-0002-1748-3710 NR 17 TC 5 Z9 5 U1 0 U2 0 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0048-6604 J9 RADIO SCI JI Radio Sci. PD SEP 8 PY 2005 VL 40 IS 5 AR RS5003 DI 10.1029/2004RS003103 PG 9 WC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology & Atmospheric Sciences; Remote Sensing; Telecommunications SC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology & Atmospheric Sciences; Remote Sensing; Telecommunications GA 963TU UT WOS:000231829700001 ER PT J AU Riley, WJ Randerson, JT Foster, PN Lueker, TJ AF Riley, W. J. Randerson, J. T. Foster, P. N. Lueker, T. J. TI Influence of terrestrial ecosystems and topography on coastal CO2 measurements: A case study at Trinidad Head, California SO JOURNAL OF GEOPHYSICAL RESEARCH-BIOGEOSCIENCES LA English DT Article ID ATMOSPHERIC CARBON-DIOXIDE; SURFACE-HYDROLOGY MODEL; AIR POLLUTANT TRANSPORT; LOS-ANGELES BASIN; BOUNDARY-LAYER; SEA-BREEZE; PART I; FLUXES; SIMULATIONS; CLIMATE AB Coastal stations are critical for interpretation of continental-scale CO2 exchanges although the impacts of land and sea breezes, local topography, katabatic winds, and CO2 transport from nearby terrestrial ecosystems are not well characterized. We applied a modeling framework that couples meteorological (MM5), land-surface (LSM1), and tracer models to investigate the impact of these factors on coastal CO2 measurements. Model predictions compared well with measurements over 4 months at our case study site (Trinidad Head, California). We predicted that during midday and under strong onshore wind conditions, positive and negative CO2 anomalies from the assumed "background'' marine layer air were sampled at the station. These anomalies resulted from two classes of mechanisms that couple transport and recent terrestrial ecosystem exchanges. First, and most important, are local and large-scale recirculation of nighttime positive CO2 anomalies resulting from katabatic flows off the coastal mountain range. Second, negative anomalies generated by daytime net ecosystem uptake can be transported offshore in the residual layer and then entrained in the marine boundary layer. We predicted monthly averaged CO2 anomalies associated with terrestrial exchanges of 0.53, 0.34, 3.1, and 0.05 ppm during March, June, September, and December of 2002. Positive anomalies from nighttime ecosystem respiration were more likely to be sampled than are negative anomalies associated with daytime net ecosystem uptake. Current atmospheric models used in continental-scale inverse studies do not resolve these two classes of mechanisms and therefore may infer incorrect CO2 exchange rates. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. Univ Calif Irvine, Earth Syst Sci Dept, Irvine, CA 92717 USA. Univ Bristol, Dept Earth Sci, Bristol BS8 1TH, Avon, England. Univ Calif San Diego, Scripps Inst Oceanog, Geosci Res Div, La Jolla, CA 92093 USA. RP Riley, WJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM wjriley@lbl.gov; jranders@uci.edu; prufoster@yahoo.com; tlueker@ucsd.edu RI Foster, Pru/K-5476-2012; Riley, William/D-3345-2015 OI Foster, Pru/0000-0003-4735-1521; Riley, William/0000-0002-4615-2304 NR 61 TC 15 Z9 15 U1 2 U2 7 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 SEP 7 PY 2005 VL 110 IS G1 AR G01005 DI 10.1029/2004JG000007 PG 15 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 090GX UT WOS:000240940100005 ER PT J AU Curry, JJ Sansonetti, CJ Wang, J AF Curry, JJ Sansonetti, CJ Wang, J TI Temperature profiles and thermal losses in 150 W high-intensity discharge lamps SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article; Proceedings Paper CT 10th International Symposium on the Science and Technology of Light Sources CY JUL 18-22, 2004 CL Toulouse, FRANCE SP European COST 529 Network, GE, Philips, Heraeus, Osram, SLi, Welch Allyn ID ADVANCED PHOTON SOURCE; X-RAY-ABSORPTION; ARC LAMP; CONVECTION; MERCURY AB A series of 150 W quartz metal-halide test lamps containing four different chemistries has been studied with optical emission spectroscopy and x-ray absorption imaging. The four chemistries are pure Hg, Hg-HgI2, Hg-NaI and Hg-NaI-DYI3. Core temperatures and comprehensive distributions of Hg vapour densities were measured and combined to obtain comprehensive gas temperature distributions. The concentrations of additives in these specially designed test lamps were found to be much smaller than is typical for a commercial metal-halide lamp. As a consequence, the core temperatures in all lamps are largely characteristic of a pure Hg discharge. The gas temperature distributions have been used to determine power losses resulting from thermal conduction through the Hg vapour. The fraction of total input power dissipated thermally was found to be 0.49 +/- 0.01 in pure Hg, similar to published measurements for such lamps. In the Hg-NaI and Hg-NaI-DyI3 lamps, thermal losses are 0.41 +/- 0.01 and 0.42 +/- 0.01, respectively. The Hg-HgI2 lamp has thermal losses of 0.29 +/- 0.03. C1 Natl Inst Stand & Technol, Gaithersburg, MD 20899 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Curry, JJ (reprint author), Natl Inst Stand & Technol, Gaithersburg, MD 20899 USA. EM jjcurry@nist.gov NR 20 TC 9 Z9 9 U1 0 U2 1 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 SEP 7 PY 2005 VL 38 IS 17 BP 3086 EP 3092 DI 10.1088/0022-3727/38/17/S10 PG 7 WC Physics, Applied SC Physics GA 967FN UT WOS:000232077000012 ER PT J AU Karolyi, G Neufeld, Z Scheuring, I AF Karolyi, G Neufeld, Z Scheuring, I TI Rock-scissors-paper game in a chaotic flow: The effect of dispersion on the cyclic competition of microorganisms SO JOURNAL OF THEORETICAL BIOLOGY LA English DT Article DE chaotic-mixing; coexistence; non-transitive competition; rock-scissors-paper game ID ESCHERICHIA-COLI; PROMOTES BIODIVERSITY; ECOLOGICAL ROLE; PLANKTON; POPULATIONS; COEXISTENCE; ALLELOPATHY; BACTERIA; PHYTOPLANKTON; EVOLUTION AB Laboratory experiments and numerical simulations have shown that the outcome of cyclic competition is significantly affected by the spatial distribution of the competitors. Short-range interaction and limited dispersion allows for coexistence of competing species that cannot coexist in a well-mixed environment. In order to elucidate the mechanisms that destroy species diversity we study the intermediate situation of imperfect mixing, typical in aquatic media, in a model of cyclic competition between toxin producing, sensitive and resistant phenotypes. It is found, that chaotic mixing, by changing the character of the spatial distribution, induces coherent oscillations in the populations. The magnitude of the oscillations increases with the strength of mixing, leading to the extinction of some species beyond a critical mixing rate. When mixing is non-uniform in space, coexistence can be sustained at much stronger mixing by the formation of partially isolated regions, that prevent global extinction. The heterogeneity of mixing may enable toxin producing and sensitive strains to coexist for very long time at strong mixing. (c) 2005 Elsevier Ltd. All rights reserved. C1 Hungarian Acad Sci, Dept Plant Taxon & Ecol, H-1117 Budapest, Hungary. Hungarian Acad Sci, Res Grp Ecol & Theoret Biol, H-1117 Budapest, Hungary. Eotvos Lorand Univ, H-1117 Budapest, Hungary. Budapest Univ Technol & Econ, Ctr Appl Math & Computat Phys, H-1521 Budapest, Hungary. Budapest Univ Technol & Econ, Dept Struct Mech, H-1521 Budapest, Hungary. Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Scheuring, I (reprint author), Hungarian Acad Sci, Dept Plant Taxon & Ecol, Pazmany P Setany 1-C, H-1117 Budapest, Hungary. EM shieazsf@ludens.elte.hu RI Karolyi, Gyorgy/A-5073-2008; Scheuring, Istvan/A-5368-2011; Neufeld, Zoltan/C-3008-2011; OI Scheuring, Istvan/0000-0002-8108-8897; Karolyi, Gyorgy/0000-0002-1021-9554 NR 51 TC 31 Z9 31 U1 0 U2 11 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-5193 J9 J THEOR BIOL JI J. Theor. Biol. PD SEP 7 PY 2005 VL 236 IS 1 BP 12 EP 20 DI 10.1016/j.jtbi.2005.02.012 PG 9 WC Biology; Mathematical & Computational Biology SC Life Sciences & Biomedicine - Other Topics; Mathematical & Computational Biology GA 946KC UT WOS:000230569900003 PM 15967180 ER PT J AU Agarwal, R Binz, T Swaminathan, S AF Agarwal, R Binz, T Swaminathan, S TI Structural analysis of botulinum neurotoxin serotype F light chain: Implications on substrate binding and inhibitor design SO BIOCHEMISTRY LA English DT Article ID ACTIVE-SITE RESIDUES; CLOSTRIDIUM-BARATII; CATALYTIC DOMAIN; SYNAPTOBREVIN; TETANUS; REQUIREMENTS; SPECIFICITY; ISOFORMS; SEQUENCE; TOXIN AB The seven serologically distinct Clostridium botulinum neurotoxins (BoNTs A-G) are zinc endopeptidases which block the neurotransmitter release by cleaving one of the three proteins of the soluble N-ethylmaleimide-sensitive-factor attachment protein receptor complex (SNARE complex) essential for the fusion of vesicles containing neurotransmitters with target membranes. These metallopeptidases exhibit unique specificity for the substrates and peptide bonds they cleave. Development of countermeasures and therapeutics for BoNTs is a priority because of their extreme toxicity and potential misuse as biowarfare agents. Though they share sequence homology and structural similarity, the structural information on each one of them is required to understand the mechanism of action of all of them because of their specificity. Unraveling the mechanism will help in the ultimate goal of developing inhibitors as antibotulinum drugs for the toxins. Here, we report the high-resolution structure of active BoNT/F catalytic domain in two crystal forms. The structure was exploited for modeling the substrate binding and identifying the S1' subsite and the putative exosites which are different from BoNT/A or BoNT/B. The orientation of docking of the substrate at the active site is consistent with the experimental BoNT/A-LC:SNAP-25 peptide model and our proposed model for BoNT/E-LC:SNAP-25. C1 Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. Hannover Med Sch, Dept Biochem, D-30623 Hannover, Germany. RP Swaminathan, S (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. EM swami@bnl.gov NR 42 TC 50 Z9 51 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD SEP 6 PY 2005 VL 44 IS 35 BP 11758 EP 11765 DI 10.1021/bi0510072 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 962DA UT WOS:000231710000013 PM 16128577 ER PT J AU Hill, D Lin, Y Qu, LW Kitaygorodskiy, A Connell, JW Allard, LF Sun, YP AF Hill, D Lin, Y Qu, LW Kitaygorodskiy, A Connell, JW Allard, LF Sun, YP TI Functionalization of carbon nanotubes with derivatized polyimide SO MACROMOLECULES LA English DT Article ID ELECTROSTATIC CHARGE MITIGATION; TRANSFER RADICAL POLYMERIZATION; DISPERSION; LUMINESCENCE; CHEMISTRY; FILMS; NMR AB Single-walled and multiple-walled carbon nanotubes were functionalized with derivatized polyimide for the homogeneous dispersion of the nanotubes. For the functionalization, the nanotubebound carboxylic acids derived from the surface defects were targeted for esterification reactions with pendant hydroxyl groups in the derivatized polyimide. The functionalized nanotube samples, readily soluble in several common organic solvents, were thoroughly characterized by a series of instrumental techniques including NMR in both solution phase and solid state, optical absorption, Raman, thermogravimetric analysis, and microscopy methods. The results were consistent with well-dispersed nanotubes functionalized by the polyimide, and also with the expectation that the nanotube electronic properties were largely preserved in the specific mode of functionalization. The presumed formation of ester linkages in the functionalized samples was supported by the results from chemical defunctionalization. The potential applications of the polyimide-functionalized carbon nanotubes and the demonstrated functionalization strategy are discussed. C1 Clemson Univ, Dept Chem, Clemson, SC 29634 USA. Clemson Univ, Lab Emerging Mat & Technol, Clemson, SC 29634 USA. NASA, Langley Res Ctr, Adv Mat & Proc Branch, Hampton, VA 23681 USA. Oak Ridge Natl Lab, High Temp Mat Lab, Oak Ridge, TN 37831 USA. RP Sun, YP (reprint author), Clemson Univ, Dept Chem, Clemson, SC 29634 USA. NR 42 TC 82 Z9 83 U1 2 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD SEP 6 PY 2005 VL 38 IS 18 BP 7670 EP 7675 DI 10.1021/ma0509210 PG 6 WC Polymer Science SC Polymer Science GA 960RX UT WOS:000231612000019 ER PT J AU Bai, T Becker, M Gupta, A Strike, P Murphy, VJ Anders, RF Batchelor, AH AF Bai, T Becker, M Gupta, A Strike, P Murphy, VJ Anders, RF Batchelor, AH TI Structure of AMA1 from Plasmodium falciparum reveals a clustering of polymorphisms that surround a conserved hydrophobic pocket SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE malaria; vaccine ID APICAL MEMBRANE ANTIGEN-1; MALARIA VACCINE CANDIDATE; HEPATOCYTE GROWTH-FACTOR; BLOOD-STAGE MALARIA; BINDING-SITE; ERYTHROCYTE INVASION; TOXOPLASMA-GONDII; ACQUIRED-IMMUNITY; CRYSTAL-STRUCTURE; APPLE DOMAINS AB Apical membrane antigen 1 (AMA1) is a leading malaria vaccine candidate that possesses polymorphisms that may pose a problem for a vaccine based on this antigen. Knowledge of the distribution of the polymorphic sites on the surface of AMA1 is necessary to obtain a detailed understanding of their significance for vaccine development. For this reason we have sought to determine the three-dimensional structure of AMA1 using x-ray crystallography. The central two-thirds of AMA1 is relatively conserved among Plasmodium species as well as more distantly related apicomplexan parasites, and contains two clusters of disulfide-bonded cysteines termed domains I and II. The crystal structure of this fragment of AMA1 reported here reveals that domains I+II consists of two intimately associated PAN domains. PAN domain I contains many long loops that extend from the domain core and form a scaffold for numerous polymorphic residues. This extreme adaptation of a PAN domain reveals how malaria parasites have introduced significant flexibility and variation into AMA1 to evade protective human antibody responses. The polymorphisms on the AMA1 surface are exclusively located on one side of the molecule, presumably because this region of AMA1 is most accessible to antibodies reacting with the parasite surface. Moreover, the most highly polymorphic residues surround a conserved hydrophobic trough that is ringed by domain I and domain II loops. Precedents set by viral receptor proteins would suggest that this is likely to be the AMA1 receptor binding pocket. C1 Univ Maryland, Sch Pharm, Baltimore, MD 21201 USA. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. Commonwealth Sci & Ind Res Org, Hlth Sci & Nutr, Parkville, Vic 3052, Australia. La Trobe Univ, Cooperat Res Ctr Vaccine Technol, Bundoora, Vic 3086, Australia. La Trobe Univ, Dept Biochem, Bundoora, Vic 3086, Australia. RP Batchelor, AH (reprint author), Univ Maryland, Sch Pharm, 20 Penn St, Baltimore, MD 21201 USA. EM abatchel@rx.umaryland.edu NR 58 TC 135 Z9 138 U1 0 U2 4 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 SEP 6 PY 2005 VL 102 IS 36 BP 12736 EP 12741 DI 10.1073/pnas.0501808102 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 962FP UT WOS:000231716700019 PM 16129835 ER PT J AU Zhang, Y Weber, WJ McCready, DE Grove, DA Jensen, J Possnert, G AF Zhang, Y Weber, WJ McCready, DE Grove, DA Jensen, J Possnert, G TI Experimental determination of electronic stopping for ions in silicon dioxide SO APPLIED PHYSICS LETTERS LA English DT Article ID HEAVY-IONS; ALPHA-PARTICLES; CROSS-SECTIONS; ENERGY-LOSS; POWER; RELIABILITY AB The electronic energy loss for He-4, Li-7, Be-9, C-12, O-16, F-19, and Si-28 ions in self-supporting silicon dioxide foils has been measured over a continuous range of energies. The measured He stopping powers are in good agreement with the SRIM-2003 (Stopping and Range of Ions in Matter) prediction. In the case of Li and C ions, the measured stopping powers exhibit some deviation from the SRIM-2003 predictions only around the Bragg peak; however, for Be, O, F, and Si ions, the measure stopping powers exhibit up to 10% deviation from the SRIM-2003 predictions over the entire energy range. The results indicate that the modified Bohr formula is suitable for scaling the stopping number for C and heavier ions in the classical interaction regime. (c) 2005 American Institute of Physics. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Luxel Corp, Friday Harbor, WA 98250 USA. Angstrom Lab, Div Ion Phys, SE-75121 Uppsala, Sweden. RP Zhang, Y (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM yanwen.zhang@pnl.gov RI Weber, William/A-4177-2008 OI Weber, William/0000-0002-9017-7365 NR 28 TC 11 Z9 11 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 SEP 5 PY 2005 VL 87 IS 10 AR 104103 DI 10.1063/1.2041828 PG 3 WC Physics, Applied SC Physics GA 960SZ UT WOS:000231614800072 ER PT J AU Fan, J Shui, WQ Yang, PY Wang, XY Xu, YM Wang, HH Chen, X Zhao, DY AF Fan, J Shui, WQ Yang, PY Wang, XY Xu, YM Wang, HH Chen, X Zhao, DY TI Mesoporous silica nanoreactors for highly efficient proteolysis SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE mass spectrometry; mesoporous materials; nanoreactors; peptides; proteolysis ID CAPILLARY-ZONE-ELECTROPHORESIS; MASS-SPECTROMETRY; ENZYME IMMOBILIZATION; CATALYTIC ACTIVITY; MOLECULAR-SIEVES; PROTEINS; DIGESTION; ADSORPTION; STABILITY; SUPPORT AB Protein digestion inside the nanoreactor channels of mesoporous silica (SBA-15) is reported, and evaluated by using peptide-mass mapping. Both proteases and substrates were efficiently captured within these biocompatible nanoreactors. After 10minutes, the mass spectrum of the protein digests released from the mesoporous-silica-based nanoreactors revealed the presence of eight peptides covering 58% of the protein sequence with an intense signal (signal/noise ratio > 70). In comparison, the conventional overnight in-solution digestion of proteins under otherwise identical conditions generated only three peptides (27% sequence coverage). We propose that this order-of-magnitude increase in the proteolytic reaction rate is mainly attributed to two factors: substrate enrichment within mesoporous silica channels and enzyme immobilization. The surface properties and macrostructure of the mesoporous silica were studied to reveal their significant influence on proteolytic reactions. C1 Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. Fudan Univ, Dept Chem, Shanghai Key Lab Mol Catalysis & Innovat Mat, Shanghai 200433, Peoples R China. Fudan Univ, Genet Inst, Shanghai 200433, Peoples R China. RP Chen, X (reprint author), Los Alamos Natl Lab, Biosci Div, BN-2, Los Alamos, NM 87545 USA. EM chen_xian@lanl.gov; dyzhao@fudan.cdu.cn RI Fan, Jie/B-3740-2008; Zhao, Dongyuan/E-5796-2010 OI Fan, Jie/0000-0002-8380-6338; Zhao, Dongyuan/0000-0002-1642-2510 NR 29 TC 67 Z9 70 U1 2 U2 34 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PD SEP 5 PY 2005 VL 11 IS 18 BP 5391 EP 5396 DI 10.1002/chem.20050060 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 962ZH UT WOS:000231771700023 PM 16001450 ER PT J AU Lightstone, FC Schwegler, E Allesch, M Gygi, F Galli, G AF Lightstone, FC Schwegler, E Allesch, M Gygi, F Galli, G TI A first-principles molecular dynamics study of calcium in water SO CHEMPHYSCHEM LA English DT Article DE ab initio calculations; calcium; cations; molecular dynamics; solvent effects ID DENSITY-FUNCTIONAL THEORY; HYDROGEN-BOND STRUCTURE; OPPENHEIMER AB-INITIO; X-RAY-DIFFRACTION; LIQUID WATER; SOLVATION STRUCTURE; WANNIER FUNCTIONS; SIMULATION; ION; CA2+ C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Graz Univ Technol, Dept Theoret & Computat Phys, A-8010 Graz, Austria. RP Lightstone, FC (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM felice@llnl.gov RI Schwegler, Eric/F-7294-2010; Schwegler, Eric/A-2436-2016 OI Schwegler, Eric/0000-0003-3635-7418 NR 28 TC 63 Z9 63 U1 0 U2 19 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1439-4235 J9 CHEMPHYSCHEM JI ChemPhysChem PD SEP 5 PY 2005 VL 6 IS 9 BP 1745 EP 1749 DI 10.1002/cphc.200500053 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 965SR UT WOS:000231971100014 PM 16013079 ER PT J AU Kohanoff, J Caro, A Finnis, MW AF Kohanoff, J Caro, A Finnis, MW TI An isothermal-isobaric Langevin thermostat for simulating nanoparticles under pressure: Application to Au clusters SO CHEMPHYSCHEM LA English DT Article DE clusters; gold; nanostructures; pressure; simulation ID STRUCTURAL TRANSFORMATIONS; MOLECULAR-DYNAMICS; NANOCRYSTALS; MECHANISM AB We present a method for simulating clusters or, molecules subjected to an external pressure, which is exerted by a pressure-transmitting medium. It is based on the canoninical Langevin thermostat, but extended in such a way that the Brownian forces are allowed to operate only from the region exterior to the cluster. We show that the frictional force of the Langevin thermostat is linked to the pressure of the reservoir in a unique way, and that this property manifests itself when the particle it acts upon is not pointlike but has finite dimensions. By choosing appropriately the strength of the random forces and the friction coefficient, both temperature and pressure can be controlled independently. We illustrate the capabilities of this new method by calculating the compressibility of small gold clusters under pressure. C1 Queens Univ Belfast, Atomist Simulat Ctr, Belfast BT7 1NN, Antrim, North Ireland. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Ctr Atom Bariloche, RA-8400 San Carlos De Bariloche, Rio Negro, Argentina. RP Kohanoff, J (reprint author), Queens Univ Belfast, Atomist Simulat Ctr, Belfast BT7 1NN, Antrim, North Ireland. EM j.kohonoff@qub.ac.uk RI Kohanoff, Jorge/H-9874-2015 OI Kohanoff, Jorge/0000-0002-8237-7543 NR 25 TC 7 Z9 7 U1 1 U2 4 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1439-4235 J9 CHEMPHYSCHEM JI ChemPhysChem PD SEP 5 PY 2005 VL 6 IS 9 BP 1848 EP 1852 DI 10.1002/cphc.200400607 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 965SR UT WOS:000231971100035 PM 16144013 ER PT J AU McGrath, MJ Siepmann, JI Kuo, IFW Mundy, CJ VandeVondele, J Hutter, J Mohamed, F Krack, M AF McGrath, MJ Siepmann, JI Kuo, IFW Mundy, CJ VandeVondele, J Hutter, J Mohamed, F Krack, M TI Isobaric-isothermal Monte Carlo simulations from first principles: Application to liquid water at ambient conditions SO CHEMPHYSCHEM LA English DT Article DE density functional calculations; Monte Carlo simulations; thermodynamics; water chemistry ID INITIO MOLECULAR-DYNAMICS; DENSITY-FUNCTIONAL THEORY; SPACE GAUSSIAN PSEUDOPOTENTIALS; FORCE-FIELDS; POTENTIAL FUNCTIONS; EQUILIBRIUM; ACCURACY; EXCHANGE; MODEL AB A series of first-principles Monte Carlo simulations in the isobaric-isothermal ensemble were carried out for liquid water at ambient conditions (T = 298 K and p = 1 atm). The Becke-Lee-Yang-Parr (BLYP) exchange and correlation energy functionals and norm-conserving Goedecker-Teter-Hutter (GTH) pseudopotentials were employed with the CP2K simulation package to examine systems consisting of 64 water molecules. The fluctuations in the system volume encountered in simulations in the isobaric-isothermal ensemble require a reconsideration of the suitability of the typical charge-density cutoff and the regular grid-generation method previously used for the computation of the electrostatic energy in first-principles simulations in the microcanonical or canonical ensembles. In particular, it is noted that a much higher cutoff is needed and that the most computationally efficient method of creating grids con result in poor simulations. Analysis of the simulation trajectories using a very large charge-density cutoff at 1200 Ry and four different grid-generation methods point to a significantly underestimated liquid density of about 0.8 g cm(-3) resulting in a somewhat understructured liquid (with a value of about 2.7 for the height of the first peak in the oxygen-oxygen radial distribution function) for BLYP-GTH water at ambient conditions. In addition, a simulation using a charge-density cutoff at 280 Ry yields a higher density of 0.9 g cm(-3) showing the sensitivity of the simulation outcome to this parameter. C1 Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA. Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England. Univ Zurich, Inst Phys Chem, CH-8057 Zurich, Switzerland. Swiss Fed Inst Technol, Chem Phys Lab, CH-6904 Lugano, Switzerland. RP Siepmann, JI (reprint author), Univ Minnesota, Dept Chem, 207 Pleasant St SE, Minneapolis, MN 55455 USA. EM siepmann@chem.umn.edu RI Hutter, Juerg/E-9244-2011; VandeVondele, Joost/L-6420-2013; Krack, Matthias/D-1802-2009 OI VandeVondele, Joost/0000-0002-0902-5111; Krack, Matthias/0000-0002-2082-7027 NR 52 TC 63 Z9 63 U1 5 U2 23 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1439-4235 J9 CHEMPHYSCHEM JI ChemPhysChem PD SEP 5 PY 2005 VL 6 IS 9 BP 1894 EP 1901 DI 10.1002/cphc.200400580 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 965SR UT WOS:000231971100042 PM 16080220 ER PT J AU Mayrhofer, KJJ Arenz, M Blizanac, BB Stamenkovic, V Ross, PN Markovic, NM AF Mayrhofer, KJJ Arenz, M Blizanac, BB Stamenkovic, V Ross, PN Markovic, NM TI CO surface electrochemistry on Pt-nanoparticles: A selective review SO ELECTROCHIMICA ACTA LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the International-Society-of-Electrochemistry CY SEP, 2004 CL Thessaloniki, GREECE SP Int Soc Electrochem DE particle size effect; infrared spectroscopy; platinum; nanoparticles; carbon monoxide oxidation ID SUPPORTED PLATINUM NANOPARTICLES; SITU INFRARED-SPECTROSCOPY; CARBON-MONOXIDE; MONOLAYER OXIDATION; ADLAYER STRUCTURES; PARTICLE-SIZE; ELECTRODES; ELECTROCATALYSTS; ADSORPTION; INTERFACES AB Oxidation of CO on platinum nanoparticles ranging in size from 1 to 30 nm has been studied in acid electrolytes. We found that Pt nanoparticles, characterized by transmission electron microscopy, are not perfect cubo-octahedrons and that large particles have "rougher" surfaces than small particles. The importance of "defect" sites for the catalytic properties of nanoparticles was probed by using infrared reflection absorption spectroscopy (IRAs) and rotating disk electrode. From IRAs experiments, by monitoring how the vibrational frequency of a-top CO (v(CO)) as well as the concomitant development of dissolved CO2 are affected by the number of defects on Pt nanoparticles, we suggested that defects play a significant role in CO "clustering" on nanoparticles, causing CO to decrease/increase in local coverage, which results in anomalous redshift/blueshift v(CO) frequency deviations from the normal Stark-tuning behavior. The observed v(CO) deviations are accompanied by CO2 production, which increases by increasing the number of defects on the nanoparticles, i.e., 1 <= 2 < 5 << 30 nm. We suggest that the catalytic activity for CO adlayer oxidation (CO stripping) is predominantly influenced by the ability of the surface to dissociate water and to form OHad on defect sites. We demonstrate that the catalytic activity of Pt nanoparticles for CO oxidation under the condition of continuous CO supply to the surface depends on the pre-history of the electrode. If the surface is precovered by CO, the particle size has a negligible effect on CO oxidation. However, on an oxide-precovered surface CO bulk oxidation increases with decreasing particle size, i.e., with increasing oxophilicity of the particles. We found, if specific sites on the surface are active for OH adsorption, then the electrocatalytic activity for CO oxidation changes as the concentration of these sites changes with particle size. (C) 2005 Elsevier Ltd. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Markovic, NM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM nmmarkovic@lbl.gov RI Mayrhofer, Karl/D-4166-2009; Arenz, Matthias/C-7385-2009; Arenz, Matthias/C-3195-2016 OI Arenz, Matthias/0000-0001-9765-4315; Arenz, Matthias/0000-0001-9765-4315 NR 42 TC 112 Z9 113 U1 7 U2 64 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD SEP 5 PY 2005 VL 50 IS 25-26 BP 5144 EP 5154 DI 10.1016/j.electacta.2005.02.070 PG 11 WC Electrochemistry SC Electrochemistry GA 970WW UT WOS:000232344100038 ER PT J AU Deb, A Bergmann, U Cramer, SP Cairns, EJ AF Deb, A Bergmann, U Cramer, SP Cairns, EJ TI Structural investigations of LiFePO4 electrodes and in situ studies by Fe X-ray absorption spectroscopy SO ELECTROCHIMICA ACTA LA English DT Article; Proceedings Paper CT 55th Annual Meeting of the International-Society-of-Electrochemistry (ISE 2004) CY SEP, 2004 CL Thessaloniki, GREECE SP Int Soc Electrochem DE FeK-edge; X-ray absorption near edge spectroscopy; electrodes ID LITHIUM RECHARGEABLE BATTERIES; CATHODE MATERIALS; PEROVSKITE; DIFFRACTION; PHOSPHATES; CHEMISTRY; MOSSBAUER; INSERTION; LICOPO4; XANES AB Fe K-edge X-ray absorption near edge spectroscopy (XANES) and extended X-ray absorption fine structure (EXAFS) have been performed on electrodes containing LiFePO4 to determine the local atomic and electronic structure and their stability with electrochemical cycling. A versatile electrochemical in situ cell has been constructed for long-term soft and hard X-ray experiments for the structural investigation on battery electrodes during the lithium-insertion/extraction processes. The device is used here for an X-ray absorption spectroscopic study of lithium insertion/extraction in a LiFePO4 electrode, where the electrode contained about 7.7 mg of LiFePO4 on a 20 mu m thick Al-foil. Fe K-edge X-ray absorption near edge spectroscopy (XANES) and extended X-ray absorption fine structure (EXAFS) have been performed on this electrode to determine the local atomic and electronic structure and their stability with electrochemical cycling. The initial state (LiFePO4) showed iron to be in the Fe2+ state corresponding to the initial state (0.0 mAh) of the cell, whereas in the delithiated state (FePO4) iron was found to be in the Fe3+ state corresponding to the final charged state (3 mAh). XANES region of the XAS spectra revealed a high spin configuration for the two states (Fe (II), d(6) and Fe (III), d(5)). The results confirm that the olivine structure of the LiFePO4 and FePO4 is retained by the electrodes in agreement with the XRD observations reported previously. These results confirm that LiFePO4 cathode material retains good structural short-range order leading to superior cycling capability. (C) 2005 Elsevier Ltd. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. Stanford Synchrotron Radiat Res Lab, Menlo Pk, CA 94025 USA. Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Deb, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM adeb@lbl.gov RI Deb, Aniruddha/H-7529-2016; Cairns, Elton/E-8873-2012 OI Deb, Aniruddha/0000-0002-0331-9709; Cairns, Elton/0000-0002-1179-7591 NR 39 TC 36 Z9 37 U1 2 U2 46 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD SEP 5 PY 2005 VL 50 IS 25-26 BP 5200 EP 5207 DI 10.1016/j.electacta.2005.02.086 PG 8 WC Electrochemistry SC Electrochemistry GA 970WW UT WOS:000232344100044 ER PT J AU Crowe, MC Kapoor, RN Cervantes-Lee, F Parkanyi, L Schulte, L Pannell, KH Brodbelt, JS AF Crowe, MC Kapoor, RN Cervantes-Lee, F Parkanyi, L Schulte, L Pannell, KH Brodbelt, JS TI Investigating bidentate and tridentate carbamoylmethylphosphine oxide ligand interactions with rare-earth elements using electrospray ionization quadrupole ion trap mass spectrometry SO INORGANIC CHEMISTRY LA English DT Article ID COLLISION-INDUCED DISSOCIATION; GAS-PHASE REACTIONS; COMPLEX COORDINATION STRUCTURE; MOLECULE REACTIONS; LANTHANIDE(III) COMPLEXES; NITRATE COMPLEXES; METAL-COMPLEXES; URANYL; EXTRACTION; REACTIVITY AB Electrospray ionization (ESI) quadrupole ion trap mass spectrometry (QIT-MS) and collisionally activated dissociation (CAD) were used to evaluate the rare-earth binding properties of two hydrophobic carbamoylmethylphosphine oxide (CMPO) ligands, the normal bidentate variety, (t-BUC6H4)(2)P(O)CH2C(O)N(i-Bu)(2) (A), a new potentally tridentate extractant, (t-BUC6H4)(2)P(O)CH[CH2C(O)N(i-BU)(2)]C(O)N(i-BU)(2) (B), and tributyl phosphate. The mass spectral results obtained from analysis of 1% HNO3/methanol solution containing the ligands and dissolved lanthanide salts reveal that the favorable stoichiometries of the ligand/metal/nitrate complexes are 2:1:2 for the bidentate, ligand A, 1:1:2 for the tridentate ligand B, and 3:1:2 for the monodentate tributyl phosphate. These observed stoichiometries correlate with the number of available binding sites on each ligand as well as with potential steric effects. Energy-variable collisionally activated dissociation experiments showed that for the 21:2 complexes involving ligand A or B, as the ionic radius of the bound metal decreased, the removal of nitric acid required less energy and resulted in less extensive spontaneous solvent coordination. This experimental trend suggests that, as the ionic radius of the lanthanide ion decreases, a pair of the carbamoylmethylphosphine ligands is able to more completely solvate the bound metal ion thereby weakening the nitrate-metal interaction. C1 Univ Texas, Dept Chem, El Paso, TX 79968 USA. Univ Texas, Dept Chem & Biochem, Austin, TX 78712 USA. Los Alamos Natl Lab, Actinide Chem Proc Grp, Los Alamos, NM 87545 USA. RP Pannell, KH (reprint author), Univ Texas, Dept Chem, El Paso, TX 79968 USA. EM kpannell@utep.edu; jbrodbelt@mail.utexas.edu NR 82 TC 21 Z9 21 U1 1 U2 14 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 SEP 5 PY 2005 VL 44 IS 18 BP 6415 EP 6424 DI 10.1021/ic0503028 PG 10 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 960HO UT WOS:000231581400035 PM 16124822 ER PT J AU Selby, HD Chan, BC Hess, RF Abney, KD Dorhout, PK AF Selby, HD Chan, BC Hess, RF Abney, KD Dorhout, PK TI Three new phases in the K/Cu/Th/S system: KCuThS3, K2Cu2ThS4, and K3Cu3Th2S7 SO INORGANIC CHEMISTRY LA English DT Article ID Q = S; INTERMEDIATE TEMPERATURES; OPTICAL-PROPERTIES; DIMENSIONAL METAL; CRYSTAL-STRUCTURE; BAND-GAPS; CHALCOGENIDES; VALENCE; TERNARY; COPPER AB Synthetic exploration of K/Cu/Th/S quaternary phase space has yielded three new compounds: KCuThS3 (1), K2Cu2ThS4 (II), and K3Cu3Th2S7 (III). All three phases are semiconductors with optical band gaps of 2.95, 2.17, and 2.49 eV(I-III). Compound I crystallizes in the orthorhombic space group Cmcm with a = 4.076(1) angstrom, b = 13.864(4) angstrom, and c = 10.541(3) angstrom. Compound II crystallizes in the monoclinic space group C2/m with a = 14.522(l) angstrom, b = 4.026(3) angstrom, and c = 7.566(6) angstrom; beta = 109.949(1)degrees. Compound III crystallizes in orthorhombic space group Pbcn with a = 4.051(2) angstrom, b = 14.023(8) angstrom, and c = 24.633(13) angstrom. The compounds are all layered materials, with each layer composed of threads of edge-sharing ThS6 octahedra bridged by CUS4 tetrahedral threads of varying dimension. The layers are separated by well-ordered potassium ions. The relatively wide range of optical band gaps is attributed to the extent of the CUS4 motifs. As the dimension of the CUS4 chains increases, band gaps decrease in the series. All materials were characterized by single-crystal X-ray diffraction, microprobe chemical analysis, and diffuse reflectance spectroscopy (NIR-UV). C1 Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA. Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Nucl Mat & Technol Div, Los Alamos, NM 87545 USA. RP Dorhout, PK (reprint author), Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA. EM Peter.Dorhout@colostate.edu NR 35 TC 14 Z9 14 U1 0 U2 2 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 SEP 5 PY 2005 VL 44 IS 18 BP 6463 EP 6469 DI 10.1021/ic050561x PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 960HO UT WOS:000231581400041 PM 16124828 ER PT J AU Setlow, RB AF Setlow, RB TI My early days in photobiology with Philip Hanawalt SO MUTATION RESEARCH-FUNDAMENTAL AND MOLECULAR MECHANISMS OF MUTAGENESIS LA English DT Biographical-Item DE ultraviolet light; DNA synthesis; bromouracil incorporation; density gradients; nucleotide excision repair ID ULTRAVIOLET LIGHT; THYMINE; IRRADIATION; INHIBITION; CELLS AB Phil and I started our careers on somewhat similar scientific paths. I had an undergraduate degree in physics from Swarthmore College and a Ph.D. degree in physics from Yale for research in the field for ultraviolet spectroscopy. Phil received an undergraduate degree in Physics from Oberlin College, joined the Yale Physics Department in 1954, and transferred to the new Biophysics Department in 1955. We began our interactions then by virtue of the fact that Phil had to take a Laboratory Course in Experimental Physics, one part of which was spectroscopy in which I was the instructor. One of my principal interests was in the effects of different wavelengths of ultraviolet (UV) radiation on proteins, viruses and bacterial cells. So what was more natural than for Phil to dream up a Ph.D. research project to investigate the effects of different wavelengths of UV on macromolecular synthesis in Escherichia coli. I became his mentor with expertise in UV, whereas he did most of the microbiological/biochemical work. Thus began a collaboration and a communicating friendship, the latter going on for 50 years. That communication was essential in elucidating some of the important steps in nucleotide excision repair-a field in which Phil is a pre-eminent scholar and investigator. Published by Elsevier B.V. C1 Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Setlow, RB (reprint author), Brookhaven Natl Lab, Dept Biol, POB 5000, Upton, NY 11973 USA. EM settow@bnl.gov NR 8 TC 1 Z9 2 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0027-5107 J9 MUTAT RES-FUND MOL M JI Mutat. Res.-Fundam. Mol. Mech. Mutagen. PD SEP 4 PY 2005 VL 577 IS 1-2 BP 4 EP 8 DI 10.1016/j.mrfmmm.2005.01.031 PG 5 WC Biotechnology & Applied Microbiology; Genetics & Heredity; Toxicology SC Biotechnology & Applied Microbiology; Genetics & Heredity; Toxicology GA 954OR UT WOS:000231164900002 PM 15916781 ER PT J AU Denton, MH Jordanova, VK Henderson, MG Skoug, RM Thomsen, MF Pollock, CJ Zaharia, S Funsten, HO AF Denton, MH Jordanova, VK Henderson, MG Skoug, RM Thomsen, MF Pollock, CJ Zaharia, S Funsten, HO TI Storm-time plasma signatures observed by IMAGE/MENA and comparison with a global physics-based model SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID ENERGETIC NEUTRAL ATOMS; RING CURRENT; INNER MAGNETOSPHERE; MAGNETIC-FIELD; IMAGES; POLAR; PRESSURE; SUBSTORM; DYNAMICS; SHEET AB We present energetic neutral atom (ENA) fluxes measured by the medium energy neutral atom (MENA) imager onboard the IMAGE satellite for the geomagnetic storm of 21 October 2001 at energies of 6 and 12 keV. The fluxes indicate strong low altitude emissions close to the Earth and a nightside peak close to local midnight. The fluxes are compared with theoretical ENA fluxes calculated using the ring current-atmosphere interaction model (RAM). We find good quantitative agreement between MENA data and RAM results, both of which indicate a peak in ENA emissions on the nightside, close to local midnight which varies in radial location between similar to 2 and similar to 5 R-e during the period of study. We demonstrate the validity of comparing RAM results with MENA data and pave the way for further study of plasma sheet entry to the inner magnetosphere during storm-times. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ New Hampshire, Ctr Space Sci, Durham, NH 03824 USA. SW Res Inst, Instrumentat & Space Res Div, San Antonio, TX 78238 USA. RP Los Alamos Natl Lab, MS-D466, Los Alamos, NM 87545 USA. EM mhdenton@lanl.gov RI Funsten, Herbert/A-5702-2015; Henderson, Michael/A-3948-2011; OI Funsten, Herbert/0000-0002-6817-1039; Henderson, Michael/0000-0003-4975-9029; Denton, Michael/0000-0002-1748-3710; Jordanova, Vania/0000-0003-0475-8743 NR 28 TC 16 Z9 16 U1 0 U2 0 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 EI 1944-8007 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD SEP 3 PY 2005 VL 32 IS 17 AR L17102 DI 10.1029/2005GL023353 PG 5 WC Geosciences, Multidisciplinary SC Geology GA 962JG UT WOS:000231727000004 ER PT J AU Cowee, MM Russell, CT Wang, YL Gurnett, DA AF Cowee, MM Russell, CT Wang, YL Gurnett, DA TI On the possibility of fast neutral production of the inner Io torus SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID PLASMA TORUS; GALILEO SPACECRAFT; MODEL; ASYMMETRY; DENSITY; VOYAGER; REGION; FLYBY; FIELD AB The Galileo spacecraft passed through the Io torus and its inner boundary on 7 December 1995 and 5 November 2002 during the J0 and A34 passes, respectively. Electron densities inferred from plasma wave measurements on both passes indicated a steep gradient at the inner boundary of the cold Io torus located between 4.5 and 5 R-J (Io is at 5.9 R-J), as well as the expected much less steep gradient in the outer torus, with an outer boundary at distances greater than 8 R-J. We attempt to model the inner torus with the fast neutral production model of Wang et al. (2001). A reduced ion pickup velocity at Io can prevent fast neutrals from penetrating inside the observed inner edge of the cold torus. Outward radial convection that increases with radial distances enables a steady state to be maintained. Differences between the passes are not entirely explained by varying pickup velocity at Io and convective transport. Factors including variable mass loading, diffusive transport mechanisms, dawn-dusk torus asymmetry, and spacecraft trajectory effects may also be important. C1 Univ Calif Los Angeles, Inst Geophys & Planetary Phys, Los Angeles, CA 90095 USA. Los Alamos Natl Lab, Space & Atmospher Sci Grp, Los Alamos, NM 87545 USA. Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. RP Cowee, MM (reprint author), Univ Calif Los Angeles, Inst Geophys & Planetary Phys, Los Angeles, CA 90095 USA. EM mcowee@igpp.ucla.edu NR 21 TC 0 Z9 0 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 SEP 3 PY 2005 VL 110 IS A9 AR A09205 DI 10.1029/2004JA010678 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 962KD UT WOS:000231729400002 ER PT J AU Wang, HC Liu, YD Chen, YX Robinson, H Ke, HM AF Wang, HC Liu, YD Chen, YX Robinson, H Ke, HM TI Multiple elements jointly determine inhibitor selectivity of cyclic nucleotide phosphodiesterases 4 and 7 SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID CAMP-SPECIFIC PHOSPHODIESTERASE; CRYSTAL-STRUCTURE; CATALYTIC DOMAIN; MESSENGER-RNA; MECHANISM; AMP; COMPLEX; PDE7A; IDENTIFICATION; LYMPHOCYTES AB Phosphodiesterase (PDE) inhibitors have been widely studied as therapeutics for treatment of human diseases. However, the mechanism by which each PDE family recognizes selectively a category of inhibitors remains a puzzle. Here we report the crystal structure of PDE7A1 catalytic domain in complex with non-selective inhibitor 3-isobutyl-1-methylxanthine and kinetic analysis on the mutants of PDE7A1 and PDE4D2. Our studies suggest at least three elements play critical roles in inhibitor selectivity: 1) the conformation and position of an invariant glutamine, 2) the natures of scaffolding residues, and 3) residues that alter shape and size of the binding pocket. Kinetic analysis shows that single PDE7 to PDE4 mutations increase the sensitivity of PDE7 to PDE4 inhibitors but are not sufficient to render the engineered enzymes comparable with the wild types. The triple S373Y/S377T/I412S mutation of PDE7A1 produces a PDE4-like enzyme, implying that multiple elements must work together to determine inhibitor selectivity. C1 Univ N Carolina, Dept Biochem & Biophys, Chapel Hill, NC 27599 USA. Univ N Carolina, Lineberger Comprehens Canc Ctr, Chapel Hill, NC 27599 USA. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. Cent S Univ, Sch Biosci & Technol, Changsha 410008, Peoples R China. RP Ke, HM (reprint author), Univ N Carolina, Dept Biochem & Biophys, Chapel Hill, NC 27599 USA. EM hke@med.unc.edu FU NIGMS NIH HHS [GM59791] NR 40 TC 52 Z9 53 U1 0 U2 5 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 J9 J BIOL CHEM JI J. Biol. Chem. PD SEP 2 PY 2005 VL 280 IS 35 BP 30949 EP 30955 DI 10.1074/jbc.M504398200 PG 7 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 958ZX UT WOS:000231487800037 PM 15994308 ER PT J AU Tsai, P Marra, JM Pou, S Bowman, MK Rosen, GM AF Tsai, P Marra, JM Pou, S Bowman, MK Rosen, GM TI Is there stereoselectivity in spin trapping superoxide by 5-tert-butoxycarbonyl-5-methyl-1-pyrroline N-oxide? SO JOURNAL OF ORGANIC CHEMISTRY LA English DT Article ID SYNTHASE GENERATES SUPEROXIDE; OXYGEN-CENTERED RADICALS; PHOSPHORYLATED NITRONE; AMINO-ACIDS; IN-VITRO; RESONANCE; EFFICIENT; ADDUCTS; TRAPS; PHOTOLYSIS AB Ester-containing nitrones, including 5-tert-butoxycarbonyl-5-methyl-1-pyrroline N-oxide 5, have been reported to be robust spin traps for superoxide (O-2(center dot-)), Using a chiral column, we have been able to isolate the two enantiomers of nitrone 5. With enantiomerically pure nitrone 5a and 5b we explored whether one of these isomers was solely responsible for the EPR spectrum of aminoxyl 6. Data obtained demonstrate that the spin trapping Of O-2(center dot-) by nitrone 5a and nitrone 5b affords the identical EPR spectra and lifetimes in homogeneous aqueous solution and exhibits the same ratio of cis and trans isomers. Quantum chemical modeling in vacuo also finds no difference, aside from the expected optical activity, arising from the difference in stereochemistry. C1 Univ Maryland, Sch Pharm, Dept Pharmaceut Sci, Baltimore, MD 21201 USA. Univ Maryland, Ctr Med Biotechnol, Inst Biotechnol, Baltimore, MD 21201 USA. Univ Maryland, Ctr Low Frequency EPR Imaging Vivo Physiol, Baltimore, MD 21201 USA. Purdue Pharma LP, Computat Combinatorial & Med Chem, Cranbury, NJ 08512 USA. Battelle Northwest, Struct Biol & Microimaging, Richland, WA 99352 USA. RP Rosen, GM (reprint author), Univ Maryland, Sch Pharm, Dept Pharmaceut Sci, Baltimore, MD 21201 USA. EM grosen@umaryland.edu RI Bowman, Michael/F-4265-2011 OI Bowman, Michael/0000-0003-3464-9409 FU NIBIB NIH HHS [EB-2034]; NIGMS NIH HHS [GM-61904] NR 33 TC 6 Z9 6 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0022-3263 J9 J ORG CHEM JI J. Org. Chem. PD SEP 2 PY 2005 VL 70 IS 18 BP 7093 EP 7097 DI 10.1021/jo050692f PG 5 WC Chemistry, Organic SC Chemistry GA 960EO UT WOS:000231573200009 PM 16122227 ER PT J AU Acosta, D Adelman, J Affolder, T Akimoto, T Albrow, MG Ambrose, D Amerio, S Amidei, D Anastassov, A Anikeev, K Annovi, A Antos, J Aoki, M Apollinari, G Arisawa, T Arguin, JF Artikov, A Ashmanskas, W Attal, A Azfar, F Azzi-Bacchetta, P Bacchetta, N Bachacou, H Badgett, W Barbaro-Galtieri, A Barker, GJ Barnes, VE Barnett, BA Baroiant, S Bauer, G Bedeschi, F Behari, S Belforte, S Bellettini, G Bellinger, J Belloni, A Ben-Haim, E Benjamin, D Beretvas, A Berry, T Bhatti, A Binkley, M Bisello, D Bishai, M Blair, RE Blocker, C Bloom, K Blumenfeld, B Bocci, A Bodek, A Bolla, G Bolshov, A Bortoletto, D Boudreau, J Bourov, S Brau, B Bromberg, C Brubaker, E Budagov, J Budd, HS Burkett, K Busetto, G Bussey, P Byrum, KL Cabrera, S Campanelli, M Campbell, M Canelli, F Canepa, A Casarsa, M Carlsmith, D Carosi, R Carron, S Cavalli-Sforza, M Castro, A Catastini, P Cauz, D Cerri, A Cerrito, L Chapman, J Chen, YC Chertok, M Chiarelli, G Chlachidze, G Chlebana, F Cho, I Cho, K Chokheli, D Chou, JP Chuang, S Chung, K Chung, WH Chung, YS Cijliak, M Ciobanu, CI Ciocci, MA Clark, AG Clark, D Coca, M Connolly, A Convery, M Conway, J Cooper, B Copic, K Cordelli, M Cortiana, G Cranshaw, J Cuevas, J Cruz, A Culbertson, R Currat, C Cyr, D Dagenhart, D Da Ronco, S D'Auria, S de Barbaro, P De Cecco, S Deisher, A De Lentdecker, G Dell'Orso, M Demers, S Demortier, L Deninno, M De Pedis, D Derwent, PF Dionisi, C Dittmann, JR DiTuro, P Dorr, C Dominguez, A Donati, S Donega, M Donini, J D'Onofrio, M Dorigo, T Ebina, K Efron, J Ehlers, J Erbacher, R Erdmann, M Errede, D Errede, S Eusebi, R Fang, HC Farrington, S Fedorko, I Fedorko, WT Feild, RG Feindt, M Fernandez, JP Field, RD Flanagan, G Flores-Castillo, LR Foland, A Forrester, S Foster, GW Franklin, M Freeman, JC Fujii, Y Furic, I Gajjar, A Gallinaro, M Galyardt, J Garcia-Sciveres, M Garfinkel, AF Gay, C Gerberich, H Gerdes, DW Gerchtein, E Giagu, S Giannetti, P Gibson, A Gibson, K Ginsburg, C Giolo, K Giordani, M Giunta, M Giurgiu, G Glagolev, V Glenzinski, D Gold, M Goldschmidt, N Goldstein, D Goldstein, J Gomez, G Gomez-Ceballos, G Goncharov, M Gonzalez, O Gorelov, I Goshaw, AT Gotra, Y Goulianos, K Gresele, A Griffiths, M Grosso-Pilcher, C Grundler, U da Costa, JG Haber, C Hahn, K Hahn, SR Halkiadakis, E Hamilton, A Han, BY Handler, R Happacher, F Hara, K Hare, M Harr, RF Harris, RM Hartmann, F Hatakeyama, K Hauser, J Hays, C Hayward, H Heinemann, B Heinrich, J Hennecke, M Herndon, M Hill, C Hirschbuehl, D Hocker, A Hoffman, KD Holloway, A Hou, S Houlden, MA Huffman, BT Huang, Y Hughes, RE Huston, J Ikado, K Incandela, J Introzzi, G Iori, M Ishizawa, Y Issever, C Ivanov, A Iwata, Y Iyutin, B James, E Jang, D Jayatilaka, B Jeans, D Jensen, H Jeon, EJ Jones, M Joo, KK Jun, SY Junk, T Kamon, T Kang, J Unel, MK Karchin, PE Kato, Y Kemp, Y Kephart, R Kerzel, U Khotilovich, V Kilminster, B Kim, DH Kim, HS Kim, JE Kim, MJ Kim, MS Kim, SB Kim, SH Kim, YK Kirby, M Kirsch, L Klimenko, S Klute, M Knuteson, B Ko, BR Kobayashi, H Kong, DJ Kondo, K Konigsberg, J Kordas, K Korn, A Korytov, A Kotwal, AV Kovalev, A Kraus, J Kravchenko, I Kreymer, A Kroll, J Kruse, M Krutelyov, V Kuhlmann, SE Kwang, S Laasanen, AT Lai, S Lami, S Lammel, S Lancaster, M Lander, R Lannon, K Lath, A Latino, G Lazzizzera, I Lecci, C LeCompte, T Lee, J Lee, J Lee, SW Lefevre, R Leonardo, N Leone, S Levy, S Lewis, JD Li, K Lin, C Lin, CS Lindgren, M Lipeles, E Liss, TM Lister, A Litvintsev, DO Liu, T Liu, Y Lockyer, NS Loginov, A Loreti, M Loverre, P Lu, RS Lucchesi, D Lujan, P Lukens, P Lungu, G Lyons, L Lys, J Lysak, R Lytken, E MacQueen, D Madrak, R Maeshima, K Maksimovic, P Manca, G Margaroli, F Marginean, R Marino, C Martin, A Martin, M Martin, V Martinez, M Maruyama, T Matsunaga, H Mattson, M Mazzanti, P McFarland, KS McGivern, D McIntyre, PM McNamara, P McNulty, R Mehta, A Menzemer, S Menzione, A Merkel, P Mesropian, C Messina, A Miao, T Miladinovic, N Miles, J Miller, L Miller, R Miller, JS Mills, C Miquel, R Miscetti, S Mitselmakher, G Miyamoto, A Moggi, N Mohr, B Moore, R Morello, M Fernandez, PAM Muelmenstaedt, J Mukherjee, A Mulhearn, M Muller, T Mumford, R Munar, A Murat, P Nachtman, J Nahn, S Nakano, I Napier, A Napora, R Naumov, D Necula, V Nelson, T Neu, C Neubauer, MS Nielsen, J Nigmanov, T Nodulman, L Norniella, O Ogawa, T Oh, SH Oh, YD Ohsugi, T Okusawa, T Oldeman, R Orava, R Orejudos, W Osterberg, K Pagliarone, C Palencia, E Paoletti, R Papadimitriou, V Paramonov, AA Pashapour, S Patrick, J Pauletta, G Paulini, M Paus, C Pellett, D Penzo, A Phillips, TJ Piacentino, G Piedra, J Pitts, KT Plager, C Pondrom, L Pope, G Portell, X Poukhov, O Pounder, N Prakoshyn, F Pronko, A Proudfoot, J Ptohos, F Punzi, G Rademacker, J Rahaman, MA Rakitine, A Rappoccio, S Ratnikov, F Ray, H Reisert, B Rekovic, V Renton, P Rescigno, M Rimondi, F Rinnert, K Ristori, L Robertson, WJ Robson, A Rodrigo, T Rolli, S Roser, R Rossin, R Rott, C Russ, J Rusu, V Ruiz, A Ryan, D Saarikko, H Sabik, S Safonov, A St Denis, R Sakumoto, WK Salamanna, G Saltzberg, D Sanchez, C Santi, L Sarkar, S Sato, K Savard, P Savoy-Navarro, A Schlabach, P Schmidt, EE Schmidt, MP Schmitt, M Schwarz, T Scodellaro, L Scott, AL Scribano, A Scuri, F Sedov, A Seidel, S Seiya, Y Semenov, A Semeria, F Sexton-Kennedy, L Sfiligoi, I Shapiro, MD Shears, T Shepard, PF Sherman, D Shimojima, M Shochet, M Shon, Y Shreyber, I Sidoti, A Sill, A Sinervo, P Sisakyan, A Sjolin, J Skiba, A Slaughter, AJ Sliwa, K Smirnov, D Smith, JR Snider, FD Snihur, R Soderberg, M Soha, A Somalwar, SV Spalding, J Spezziga, M Spinella, F Squillacioti, P Stadie, H Stanitzki, M Stelzer, B Stelzer-Chilton, O Stentz, D Strologas, J Stuart, D Suh, JS Sukhanov, A Sumorok, K Sun, H Suzuki, T Taffard, A Tafirout, R Takano, H Takashima, R Takeuchi, Y Takikawa, K Tanaka, M Tanaka, R Tanimoto, N Tecchio, M Teng, PK Terashi, K Tesarek, RJ Tether, S Thom, J Thompson, AS Thomson, E Tipton, P Tiwari, V Tkaczyk, S Toback, D Tollefson, K Tomura, T Tonelli, D Tonnesmann, M Torre, S Torretta, D Tourneur, S Trischuk, W Tsuchiya, R Tsuno, S Tsybychev, D Turini, N Ukegawa, F Unverhau, T Uozumi, S Usynin, D Vacavant, L Vaiciulis, A Varganov, A Vejcik, S Velev, G Veszpremi, V Veramendi, G Vickey, T Vidal, R Vila, I Vilar, R Vollrath, I Volobouev, I von der Mey, M Wagner, P Wagner, RG Wagner, RL Wagner, W Wallny, R Walter, T Wan, Z Wang, MJ Wang, SM Warburton, A Ward, B Waschke, S Waters, D Watts, T Weber, M Wester, WC Whitehouse, B Whiteson, D Wicklund, AB Wicklund, E Williams, HH Wilson, P Winer, BL Wittich, P Wolbers, S Wolfe, C Wolter, M Worcester, M Worm, S Wright, T Wu, X Wurthwein, F Wyatt, A Yagil, A Yamashita, T Yamamoto, K Yamaoka, J Yang, C Yang, UK Yao, W Yeh, GP Yoh, J Yorita, K Yoshida, T Yu, I Yu, S Yun, JC Zanello, L Zanetti, A Zaw, I Zetti, F Zhou, J Zucchelli, S AF Acosta, D Adelman, J Affolder, T Akimoto, T Albrow, MG Ambrose, D Amerio, S Amidei, D Anastassov, A Anikeev, K Annovi, A Antos, J Aoki, M Apollinari, G Arisawa, T Arguin, JF Artikov, A Ashmanskas, W Attal, A Azfar, F Azzi-Bacchetta, P Bacchetta, N Bachacou, H Badgett, W Barbaro-Galtieri, A Barker, GJ Barnes, VE Barnett, BA Baroiant, S Bauer, G Bedeschi, F Behari, S Belforte, S Bellettini, G Bellinger, J Belloni, A Ben-Haim, E Benjamin, D Beretvas, A Berry, T Bhatti, A Binkley, M Bisello, D Bishai, M Blair, RE Blocker, C Bloom, K Blumenfeld, B Bocci, A Bodek, A Bolla, G Bolshov, A Bortoletto, D Boudreau, J Bourov, S Brau, B Bromberg, C Brubaker, E Budagov, J Budd, HS Burkett, K Busetto, G Bussey, P Byrum, KL Cabrera, S Campanelli, M Campbell, M Canelli, F Canepa, A Casarsa, M Carlsmith, D Carosi, R Carron, S Cavalli-Sforza, M Castro, A Catastini, P Cauz, D Cerri, A Cerrito, L Chapman, J Chen, YC Chertok, M Chiarelli, G Chlachidze, G Chlebana, F Cho, I Cho, K Chokheli, D Chou, JP Chuang, S Chung, K Chung, WH Chung, YS Cijliak, M Ciobanu, CI Ciocci, MA Clark, AG Clark, D Coca, M Connolly, A Convery, M Conway, J Cooper, B Copic, K Cordelli, M Cortiana, G Cranshaw, J Cuevas, J Cruz, A Culbertson, R Currat, C Cyr, D Dagenhart, D Da Ronco, S D'Auria, S de Barbaro, P De Cecco, S Deisher, A De Lentdecker, G Dell'Orso, M Demers, S Demortier, L Deninno, M De Pedis, D Derwent, PF Dionisi, C Dittmann, JR DiTuro, P Dorr, C Dominguez, A Donati, S Donega, M Donini, J D'Onofrio, M Dorigo, T Ebina, K Efron, J Ehlers, J Erbacher, R Erdmann, M Errede, D Errede, S Eusebi, R Fang, HC Farrington, S Fedorko, I Fedorko, WT Feild, RG Feindt, M Fernandez, JP Field, RD Flanagan, G Flores-Castillo, LR Foland, A Forrester, S Foster, GW Franklin, M Freeman, JC Fujii, Y Furic, I Gajjar, A Gallinaro, M Galyardt, J Garcia-Sciveres, M Garfinkel, AF Gay, C Gerberich, H Gerdes, DW Gerchtein, E Giagu, S Giannetti, P Gibson, A Gibson, K Ginsburg, C Giolo, K Giordani, M Giunta, M Giurgiu, G Glagolev, V Glenzinski, D Gold, M Goldschmidt, N Goldstein, D Goldstein, J Gomez, G Gomez-Ceballos, G Goncharov, M Gonzalez, O Gorelov, I Goshaw, AT Gotra, Y Goulianos, K Gresele, A Griffiths, M Grosso-Pilcher, C Grundler, U da Costa, JG Haber, C Hahn, K Hahn, SR Halkiadakis, E Hamilton, A Han, BY Handler, R Happacher, F Hara, K Hare, M Harr, RF Harris, RM Hartmann, F Hatakeyama, K Hauser, J Hays, C Hayward, H Heinemann, B Heinrich, J Hennecke, M Herndon, M Hill, C Hirschbuehl, D Hocker, A Hoffman, KD Holloway, A Hou, S Houlden, MA Huffman, BT Huang, Y Hughes, RE Huston, J Ikado, K Incandela, J Introzzi, G Iori, M Ishizawa, Y Issever, C Ivanov, A Iwata, Y Iyutin, B James, E Jang, D Jayatilaka, B Jeans, D Jensen, H Jeon, EJ Jones, M Joo, KK Jun, SY Junk, T Kamon, T Kang, J Unel, MK Karchin, PE Kato, Y Kemp, Y Kephart, R Kerzel, U Khotilovich, V Kilminster, B Kim, DH Kim, HS Kim, JE Kim, MJ Kim, MS Kim, SB Kim, SH Kim, YK Kirby, M Kirsch, L Klimenko, S Klute, M Knuteson, B Ko, BR Kobayashi, H Kong, DJ Kondo, K Konigsberg, J Kordas, K Korn, A Korytov, A Kotwal, AV Kovalev, A Kraus, J Kravchenko, I Kreymer, A Kroll, J Kruse, M Krutelyov, V Kuhlmann, SE Kwang, S Laasanen, AT Lai, S Lami, S Lammel, S Lancaster, M Lander, R Lannon, K Lath, A Latino, G Lazzizzera, I Lecci, C LeCompte, T Lee, J Lee, J Lee, SW Lefevre, R Leonardo, N Leone, S Levy, S Lewis, JD Li, K Lin, C Lin, CS Lindgren, M Lipeles, E Liss, TM Lister, A Litvintsev, DO Liu, T Liu, Y Lockyer, NS Loginov, A Loreti, M Loverre, P Lu, RS Lucchesi, D Lujan, P Lukens, P Lungu, G Lyons, L Lys, J Lysak, R Lytken, E MacQueen, D Madrak, R Maeshima, K Maksimovic, P Manca, G Margaroli, F Marginean, R Marino, C Martin, A Martin, M Martin, V Martinez, M Maruyama, T Matsunaga, H Mattson, M Mazzanti, P McFarland, KS McGivern, D McIntyre, PM McNamara, P McNulty, R Mehta, A Menzemer, S Menzione, A Merkel, P Mesropian, C Messina, A Miao, T Miladinovic, N Miles, J Miller, L Miller, R Miller, JS Mills, C Miquel, R Miscetti, S Mitselmakher, G Miyamoto, A Moggi, N Mohr, B Moore, R Morello, M Fernandez, PAM Muelmenstaedt, J Mukherjee, A Mulhearn, M Muller, T Mumford, R Munar, A Murat, P Nachtman, J Nahn, S Nakano, I Napier, A Napora, R Naumov, D Necula, V Nelson, T Neu, C Neubauer, MS Nielsen, J Nigmanov, T Nodulman, L Norniella, O Ogawa, T Oh, SH Oh, YD Ohsugi, T Okusawa, T Oldeman, R Orava, R Orejudos, W Osterberg, K Pagliarone, C Palencia, E Paoletti, R Papadimitriou, V Paramonov, AA Pashapour, S Patrick, J Pauletta, G Paulini, M Paus, C Pellett, D Penzo, A Phillips, TJ Piacentino, G Piedra, J Pitts, KT Plager, C Pondrom, L Pope, G Portell, X Poukhov, O Pounder, N Prakoshyn, F Pronko, A Proudfoot, J Ptohos, F Punzi, G Rademacker, J Rahaman, MA Rakitine, A Rappoccio, S Ratnikov, F Ray, H Reisert, B Rekovic, V Renton, P Rescigno, M Rimondi, F Rinnert, K Ristori, L Robertson, WJ Robson, A Rodrigo, T Rolli, S Roser, R Rossin, R Rott, C Russ, J Rusu, V Ruiz, A Ryan, D Saarikko, H Sabik, S Safonov, A St Denis, R Sakumoto, WK Salamanna, G Saltzberg, D Sanchez, C Santi, L Sarkar, S Sato, K Savard, P Savoy-Navarro, A Schlabach, P Schmidt, EE Schmidt, MP Schmitt, M Schwarz, T Scodellaro, L Scott, AL Scribano, A Scuri, F Sedov, A Seidel, S Seiya, Y Semenov, A Semeria, F Sexton-Kennedy, L Sfiligoi, I Shapiro, MD Shears, T Shepard, PF Sherman, D Shimojima, M Shochet, M Shon, Y Shreyber, I Sidoti, A Sill, A Sinervo, P Sisakyan, A Sjolin, J Skiba, A Slaughter, AJ Sliwa, K Smirnov, D Smith, JR Snider, FD Snihur, R Soderberg, M Soha, A Somalwar, SV Spalding, J Spezziga, M Spinella, F Squillacioti, P Stadie, H Stanitzki, M Stelzer, B Stelzer-Chilton, O Stentz, D Strologas, J Stuart, D Suh, JS Sukhanov, A Sumorok, K Sun, H Suzuki, T Taffard, A Tafirout, R Takano, H Takashima, R Takeuchi, Y Takikawa, K Tanaka, M Tanaka, R Tanimoto, N Tecchio, M Teng, PK Terashi, K Tesarek, RJ Tether, S Thom, J Thompson, AS Thomson, E Tipton, P Tiwari, V Tkaczyk, S Toback, D Tollefson, K Tomura, T Tonelli, D Tonnesmann, M Torre, S Torretta, D Tourneur, S Trischuk, W Tsuchiya, R Tsuno, S Tsybychev, D Turini, N Ukegawa, F Unverhau, T Uozumi, S Usynin, D Vacavant, L Vaiciulis, A Varganov, A Vejcik, S Velev, G Veszpremi, V Veramendi, G Vickey, T Vidal, R Vila, I Vilar, R Vollrath, I Volobouev, I von der Mey, M Wagner, P Wagner, RG Wagner, RL Wagner, W Wallny, R Walter, T Wan, Z Wang, MJ Wang, SM Warburton, A Ward, B Waschke, S Waters, D Watts, T Weber, M Wester, WC Whitehouse, B Whiteson, D Wicklund, AB Wicklund, E Williams, HH Wilson, P Winer, BL Wittich, P Wolbers, S Wolfe, C Wolter, M Worcester, M Worm, S Wright, T Wu, X Wurthwein, F Wyatt, A Yagil, A Yamashita, T Yamamoto, K Yamaoka, J Yang, C Yang, UK Yao, W Yeh, GP Yoh, J Yorita, K Yoshida, T Yu, I Yu, S Yun, JC Zanello, L Zanetti, A Zaw, I Zetti, F Zhou, J Zucchelli, S CA CDF Collaboration TI Measurement of B(t -> Wb)/B(t -> Wq) at the Collider Detector at Fermilab SO PHYSICAL REVIEW LETTERS LA English DT Article ID PHYSICS AB We present a measurement of the ratio of top-quark branching fractions R=B(t -> Wb)/B(t -> Wq), where q can be a b, s, or a d quark, using lepton-plus-jets and dilepton data sets with an integrated luminosity of similar to 162 pb(-1) collected with the Collider Detector at Fermilab during Run II of the Tevatron. The measurement is derived from the relative numbers of t (t) over bar events with different multiplicity of identified secondary vertices. We set a lower limit of R > 0.61 at 95% confidence level. C1 Univ Florida, Gainesville, FL 32611 USA. Acad Sinica, Inst Phys, Taipei 11529, Taiwan. Argonne Natl Lab, Argonne, IL 60439 USA. Univ Autonoma Barcelona, Inst Fis Altes Energies, E-08193 Barcelona, Spain. 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. Joint Inst Nucl Res, RU-141980 Dubna, Russia. Duke Univ, Durham, NC 27708 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Geneva, CH-1211 Geneva, Switzerland. Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. Harvard Univ, Cambridge, MA 02138 USA. Univ Helsinki, Dept Phys, Div High Energy Phys, FIN-00014 Helsinki, Finland. Helsinki Inst Phys, FIN-00014 Helsinki, Finland. Hiroshima Univ, Higashihiroshima 724, Japan. Univ Illinois, Urbana, IL 61801 USA. Johns Hopkins Univ, Baltimore, MD 21218 USA. Univ Karlsruhe, Inst Expt Kernphys, D-76128 Karlsruhe, Germany. High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 305, Japan. Seoul Natl Univ, Seoul 151742, South Korea. Kyungpook Natl Univ, Ctr High Energy Phys, Taegu 702701, South Korea. Sungkyunkwan Univ, Suwon 440746, South Korea. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Liverpool, Liverpool L69 7ZE, Merseyside, England. UCL, London WC1E 6BT, England. 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. Inst Theoret & Expt Phys, Moscow 117259, Russia. Univ New Mexico, Albuquerque, NM 87131 USA. Northwestern Univ, Evanston, IL 60208 USA. Ohio State Univ, Columbus, OH 43210 USA. Okayama Univ, Okayama 7008530, Japan. Osaka City Univ, Osaka 588, Japan. Univ Oxford, Oxford OX1 3RH, England. Univ Padua, Ist Nazl Fis Nucl, Sez Padova Trento, I-35131 Padua, Italy. Univ Penn, Philadelphia, PA 19104 USA. Univ Siena, I-53100 Siena, Italy. Scuola Normale Super Pisa, I-53100 Siena, Italy. Univ Pisa, Ist Nazl Fis Nucl Pisa, I-56100 Pisa, Italy. Univ Pittsburgh, Pittsburgh, PA 15260 USA. Purdue Univ, W Lafayette, IN 47907 USA. Univ Rochester, Rochester, NY 14627 USA. Rockefeller Univ, New York, NY 10021 USA. Univ Roma La Sapienza, Ist Nazl Fis Nucl, Sez Roma 1, I-00185 Rome, Italy. Rutgers State Univ, Piscataway, NJ 08855 USA. Texas A&M Univ, College Stn, TX 77843 USA. Texas Tech Univ, Lubbock, TX 79409 USA. Univ Trieste Udine, Ist Nazl Fis Nucl, Trieste, Italy. Univ Tsukuba, Tsukuba, Ibaraki 305, Japan. Tufts Univ, Medford, MA 02155 USA. Waseda Univ, Tokyo 169, Japan. Wayne State Univ, Detroit, MI 48201 USA. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06520 USA. RP Univ Florida, Gainesville, FL 32611 USA. RI Muelmenstaedt, Johannes/K-2432-2015; Introzzi, Gianluca/K-2497-2015; Gorelov, Igor/J-9010-2015; Leonardo, Nuno/M-6940-2016; Canelli, Florencia/O-9693-2016; Warburton, Andreas/N-8028-2013; Kim, Soo-Bong/B-7061-2014; Lysak, Roman/H-2995-2014; Scodellaro, Luca/K-9091-2014; Connolly, Amy/J-3958-2013; Paulini, Manfred/N-7794-2014; Russ, James/P-3092-2014; Lazzizzera, Ignazio/E-9678-2015; Cabrera Urban, Susana/H-1376-2015; Cavalli-Sforza, Matteo/H-7102-2015; ciocci, maria agnese /I-2153-2015; Prokoshin, Fedor/E-2795-2012; Ivanov, Andrew/A-7982-2013; Lancaster, Mark/C-1693-2008; Ruiz, Alberto/E-4473-2011; Robson, Aidan/G-1087-2011; De Cecco, Sandro/B-1016-2012; Wolter, Marcin/A-7412-2012; St.Denis, Richard/C-8997-2012; Chiarelli, Giorgio/E-8953-2012; 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 OI Muelmenstaedt, Johannes/0000-0003-1105-6678; Introzzi, Gianluca/0000-0002-1314-2580; Gorelov, Igor/0000-0001-5570-0133; Leonardo, Nuno/0000-0002-9746-4594; Canelli, Florencia/0000-0001-6361-2117; Warburton, Andreas/0000-0002-2298-7315; Scodellaro, Luca/0000-0002-4974-8330; Paulini, Manfred/0000-0002-6714-5787; Russ, James/0000-0001-9856-9155; Lazzizzera, Ignazio/0000-0001-5092-7531; ciocci, maria agnese /0000-0003-0002-5462; Prokoshin, Fedor/0000-0001-6389-5399; Ivanov, Andrew/0000-0002-9270-5643; Ruiz, Alberto/0000-0002-3639-0368; Chiarelli, Giorgio/0000-0001-9851-4816; Azzi, Patrizia/0000-0002-3129-828X; Punzi, Giovanni/0000-0002-8346-9052; Annovi, Alberto/0000-0002-4649-4398 NR 15 TC 35 Z9 35 U1 1 U2 6 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 SEP 2 PY 2005 VL 95 IS 10 AR 102002 DI 10.1103/PhysRevLett.95.102002 PG 7 WC Physics, Multidisciplinary SC Physics GA 960TI UT WOS:000231615700009 PM 16196920 ER PT J AU Downward, L Bridges, F Bushart, S Neumeier, JJ Dilley, N Zhou, L AF Downward, L Bridges, F Bushart, S Neumeier, JJ Dilley, N Zhou, L TI Universal relationship between magnetization and changes in the local structure of La1-xCaxMnO3: Evidence for magnetic dimers SO PHYSICAL REVIEW LETTERS LA English DT Article ID POLARON FORMATION; MANGANITES; DISTORTION; TEMPERATURE; TRANSITION; FIELD; MODEL AB We present extensive x-ray absorption fine structure measurements on La1-xCaxMnO3 as a function of the B field (to 11 T) and Ca concentration, x (21%-45%). These results reveal local structure changes (associated with polaron formation) that depend only on the magnetization for a given sample, irrespective of whether the magnetization is achieved through a decrease in temperature or an applied magnetic field. Furthermore, the relationship between local structure and magnetization depends on the hole doping. A model is proposed in which a filamentary magnetization initially develops via the aggregation of pairs of Mn atoms involving a hole and an electron site. These pairs have little distortion and it is likely that they form at temperature T-* above T-c. C1 Univ Calif Santa Cruz, Dept Phys, Santa Cruz, CA 95064 USA. Montana State Univ, Dept Phys, Bozeman, MT 59717 USA. Quantum Design Inc, San Diego, CA 92121 USA. Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Downward, L (reprint author), Univ Calif Santa Cruz, Dept Phys, Santa Cruz, CA 95064 USA. NR 28 TC 28 Z9 28 U1 0 U2 3 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 SEP 2 PY 2005 VL 95 IS 10 AR 106401 DI 10.1103/PhysRevLett.95.106401 PG 4 WC Physics, Multidisciplinary SC Physics GA 960TI UT WOS:000231615700036 PM 16196947 ER PT J AU Evans, MH Zhang, XG Joannopoulos, JD Pantelides, ST AF Evans, MH Zhang, XG Joannopoulos, JD Pantelides, ST TI First-principles mobility calculations and atomic-scale interface roughness in nanoscale structures SO PHYSICAL REVIEW LETTERS LA English DT Article ID TOTAL-ENERGY CALCULATIONS; SILICON INVERSION-LAYERS; MONTE-CARLO; ELECTRON-MOBILITY; SURFACE-ROUGHNESS; SOI MOSFETS; TRANSPORT; SI; UNIVERSALITY; SI-SIO2 AB Calculations of mobilities have so far been carried out using approximate methods that suppress atomic-scale detail. Such approaches break down in nanoscale structures. Here we report the development of a method to calculate mobilities using atomic-scale models of the structures and density functional theory at various levels of sophistication and accuracy. The method is used to calculate the effect of atomic-scale roughness on electron mobilities in ultrathin double-gate silicon-on-insulator structures. The results elucidate the origin of the significant reduction in mobility observed in ultrathin structures at low electron densities. C1 MIT, Dept Phys, Cambridge, MA 02139 USA. Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. RP Evans, MH (reprint author), MIT, Dept Phys, Cambridge, MA 02139 USA. NR 34 TC 45 Z9 45 U1 2 U2 13 PU AMERICAN 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 SEP 2 PY 2005 VL 95 IS 10 AR 106802 DI 10.1103/PhysRevLett.95.106802 PG 4 WC Physics, Multidisciplinary SC Physics GA 960TI UT WOS:000231615700040 PM 16196951 ER PT J AU Gorbahn, M Haisch, U Misiak, M AF Gorbahn, M Haisch, U Misiak, M TI Three-loop mixing of dipole operators SO PHYSICAL REVIEW LETTERS LA English DT Article ID ANOMALOUS DIMENSION; B->S-GAMMA DECAY; B-DECAYS; 3 LOOPS; QCD; CURRENTS; GAMMA AB We calculate the complete three-loop O(alpha(s)(3)) anomalous dimension matrix for the dimension-five dipole operators that arise in the standard model after integrating out the top quark and the heavy electroweak bosons. Our computation completes the three-loop anomalous dimension matrix of operators that govern low-energy vertical bar Delta F vertical bar = 1 flavor-changing processes, and represents an important ingredient of the next-to-next-to-leading order QCD analysis of the (B) over bar -> X(s)gamma decay. C1 Univ Durham, Dept Phys, IPPP, Durham DH1 3LE, England. Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. Univ Warsaw, Inst Theoret Phys, PL-00681 Warsaw, Poland. RP Gorbahn, M (reprint author), Univ Durham, Dept Phys, IPPP, South Rd, Durham DH1 3LE, England. NR 25 TC 62 Z9 62 U1 0 U2 1 PU AMERICAN 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 SEP 2 PY 2005 VL 95 IS 10 AR 102004 DI 10.1103/PhysRevLett.95.102004 PG 4 WC Physics, Multidisciplinary SC Physics GA 960TI UT WOS:000231615700011 PM 16196922 ER PT J AU Heine, DR Grest, GS Webb, EB AF Heine, DR Grest, GS Webb, EB TI Surface wetting of liquid nanodroplets: Droplet-size effects SO PHYSICAL REVIEW LETTERS LA English DT Article ID EMBEDDED-ATOM-METHOD; CONTACT-ANGLE RELAXATION; MOLECULAR-DYNAMICS; SOLID-SURFACE; PB; REGIME; GROWTH; METALS; CU AB The spreading of liquid nanodroplets of different initial radii R-0 is studied using molecular dynamics simulation. Results for two distinct systems, Pb on Cu(111), which is nonwetting, and a coarse-grained polymer model, which wets the surface, are presented for Pb droplets ranging in size from similar to 55 000 to 220 000 atoms and polymer droplets ranging in size from similar to 200 000 to 780 000 monomers. In both cases, a precursor foot precedes the spreading of the main droplet. This precursor foot spreads as r(f)(2)(t)=2D(eff)t with an effective diffusion constant that exhibits a droplet-size dependence D(eff)similar to R-0(1/2). The radius of the main droplet r(b)(t)similar to R-0(4/5) is in agreement with kinetic models for the cylindrical geometry studied. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Heine, DR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 31 TC 31 Z9 32 U1 3 U2 36 PU AMERICAN 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 SEP 2 PY 2005 VL 95 IS 10 AR 107801 DI 10.1103/PhysRevLett.95.107801 PG 4 WC Physics, Multidisciplinary SC Physics GA 960TI UT WOS:000231615700055 PM 16196966 ER PT J AU Kelly, JJ Roche, RE Chai, Z Jones, MK Gayou, O Sarty, AJ Frullani, S Aniol, K Beise, EJ Benmokhtar, F Bertozzi, W Boeglin, WU Botto, T Brash, EJ Breuer, H Brown, E Burtin, E Calarco, JR Cavata, C Chang, CC Chant, NS Chen, JP Coman, M Crovelli, D De Leo, R Dieterich, S Escoffier, S Fissum, KG Garde, V Garibaldi, F Georgakopoulus, S Gilad, S Gilman, R Glashausser, C Hansen, JO Higinbotham, DW Hotta, A Huber, GM Ibrahim, H Iodice, M de Jager, CW Jiang, X Klimenko, A Kozlov, A Kumbartzki, G Kuss, M Lagamba, L Laveissiere, G LeRose, JJ Lindgren, RA Liyanage, N Lolos, GJ Lourie, RW Margaziotis, DJ Marie, F Markowitz, P McAleer, S Meekins, D Michaels, R Milbrath, BD Mitchell, J Nappa, J Neyret, D Perdrisat, CF Potokar, M Punjabi, VA Pussieux, T Ransome, RD Roos, PG Rvachev, M Saha, A Sirca, S Suleiman, R Strauch, S Templon, JA Todor, L Ulmer, PE Urciuoli, GM Weinstein, LB Wijesooriya, K Wojtsekhowski, B Zheng, X Zhu, L AF Kelly, JJ Roche, RE Chai, Z Jones, MK Gayou, O Sarty, AJ Frullani, S Aniol, K Beise, EJ Benmokhtar, F Bertozzi, W Boeglin, WU Botto, T Brash, EJ Breuer, H Brown, E Burtin, E Calarco, JR Cavata, C Chang, CC Chant, NS Chen, JP Coman, M Crovelli, D De Leo, R Dieterich, S Escoffier, S Fissum, KG Garde, V Garibaldi, F Georgakopoulus, S Gilad, S Gilman, R Glashausser, C Hansen, JO Higinbotham, DW Hotta, A Huber, GM Ibrahim, H Iodice, M de Jager, CW Jiang, X Klimenko, A Kozlov, A Kumbartzki, G Kuss, M Lagamba, L Laveissiere, G LeRose, JJ Lindgren, RA Liyanage, N Lolos, GJ Lourie, RW Margaziotis, DJ Marie, F Markowitz, P McAleer, S Meekins, D Michaels, R Milbrath, BD Mitchell, J Nappa, J Neyret, D Perdrisat, CF Potokar, M Punjabi, VA Pussieux, T Ransome, RD Roos, PG Rvachev, M Saha, A Sirca, S Suleiman, R Strauch, S Templon, JA Todor, L Ulmer, PE Urciuoli, GM Weinstein, LB Wijesooriya, K Wojtsekhowski, B Zheng, X Zhu, L CA Jefferson Lab E91011 Collaboration Hall A Collaboration TI Recoil polarization for Delta excitation in pion electroproduction - art. no. 102002 SO PHYSICAL REVIEW LETTERS LA English DT Article ID DELTA(1232); CLOUD AB We measured angular distributions of recoil-polarization response functions for neutral pion electroproduction for W=1.23 GeV at Q(2)=1.0 (GeV/c)(2), obtaining 14 separated response functions plus 2 Rosenbluth combinations; of these, 12 have been observed for the first time. Dynamical models do not describe quantities governed by imaginary parts of interference products well, indicating the need for adjusting magnitudes and phases for nonresonant amplitudes. We performed a nearly model-independent multipole analysis and obtained values for Re (S1+/M1+)= -(6.84 +/- 0.15)% and Re (E1+/M1+)= -(2.91 +/- 0.19)% that are distinctly different from those from the traditional Legendre analysis based upon M1+ dominance and l(pi)<= 1 truncation. C1 Univ Maryland, Dept Phys, College Pk, MD 20742 USA. Florida State Univ, Tallahassee, FL 32306 USA. MIT, Cambridge, MA 02139 USA. Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. St Marys Univ, Halifax, NS B3H 3C3, Canada. Ist Nazl Fis Nucl, Sez Sanita, I-00161 Rome, Italy. Ist Super Sanita, Phys Lab, I-00161 Rome, Italy. Calif State Univ Los Angeles, Los Angeles, CA 90032 USA. Rutgers State Univ, Piscataway, NJ 08854 USA. Florida Int Univ, Miami, FL 33199 USA. Univ Athens, Athens, Greece. Univ Regina, Regina, SK S4S 0A2, Canada. Univ Georgia, Athens, GA 30602 USA. CEA Saclay, F-91191 Gif Sur Yvette, France. Univ New Hampshire, Durham, NH 03824 USA. Lund Univ, SE-22100 Lund, Sweden. Univ Blaise Pascal Clermont Ferrand, F-177 Aubiere, France. CNRS, IN2P3, LPC 63, F-177 Aubiere, France. Univ Massachusetts, Amherst, MA 01003 USA. Old Dominion Univ, Norfolk, VA 23529 USA. Univ Virginia, Charlottesville, VA 22901 USA. Renaissance Technol Corp, Moscow 117333, Russia. Eastern Kentucky Univ, Richmond, KY 40475 USA. Coll William & Mary, Williamsburg, VA 23187 USA. Univ Ljubljana, Jozef Stefan Inst, SI-1001 Ljubljana, Slovenia. Norfolk State Univ, Norfolk, VA 23504 USA. Univ Illinois, Urbana, IL 61801 USA. RP Kelly, JJ (reprint author), Univ Maryland, Dept Phys, College Pk, MD 20742 USA. RI Kuss, Michael/H-8959-2012; Sarty, Adam/G-2948-2014; Higinbotham, Douglas/J-9394-2014; CAVATA, Christian/P-6496-2015 OI Higinbotham, Douglas/0000-0003-2758-6526; NR 15 TC 49 Z9 49 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 SEP 2 PY 2005 VL 95 IS 10 AR 102001 DI 10.1103/PhysRevLett.95.102001 PG 6 WC Physics, Multidisciplinary SC Physics GA 960TI UT WOS:000231615700008 PM 16196919 ER PT J AU Savard, G Buchinger, F Clark, JA Crawford, JE Gulick, S Hardy, JC Hecht, AA Lee, JKP Levand, AF Scielzo, ND Sharma, H Sharma, KS Tanihata, I Villari, ACC Wang, Y AF Savard, G Buchinger, F Clark, JA Crawford, JE Gulick, S Hardy, JC Hecht, AA Lee, JKP Levand, AF Scielzo, ND Sharma, H Sharma, KS Tanihata, I Villari, ACC Wang, Y TI Q value of the superallowed decay of V-46 and its influence on V-ud and the unitarity of the Cabibbo-Kobayashi-Maskawa matrix SO PHYSICAL REVIEW LETTERS LA English DT Article ID PENNING TRAP; RATIO AB The masses of the radioactive nuclei V-46 and its decay daughter Ti-46 have been measured with the Canadian Penning Trap on-line Penning trap mass spectrometer to a precision of 1x10(-8). A Q(EC) value of 7052.90(40) keV for the superallowed beta decay of V-46 is obtained from the difference of these two masses. With this precise Q value, the Ft value for this decay is determined with improved precision. An investigation of an earlier Q-value measurement for V-46 uncovers a set of 7 measurements that cannot be reconciled with modern data and affects previous evaluations of V-ud from superallowed Fermi decays. A new evaluation, adding our new data and removing the discredited subset, yields new values for G(V) and V-ud. When combined with recent results for V-us, this yields modified constraints for the unitarity of the Cabibbo-Kobayashi-Maskawa matrix and other extensions of the standard model. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Univ Chicago, Dept Phys, Chicago, IL 60637 USA. McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. Univ Manitoba, Dept Phys & Astron, Winnipeg, MB R3T 2N2, Canada. Texas A&M Univ, Inst Cyclotron, College Stn, TX 77843 USA. Univ Maryland, Dept Chem, College Pk, MD 20742 USA. GANIL, F-14076 Caen, France. RP Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RI Crawford, John/A-3771-2012 NR 21 TC 86 Z9 86 U1 1 U2 5 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 SEP 2 PY 2005 VL 95 IS 10 AR 102501 DI 10.1103/PhysRevLett.95.102501 PG 4 WC Physics, Multidisciplinary SC Physics GA 960TI UT WOS:000231615700012 PM 16196923 ER PT J AU Shpyrko, OG Grigoriev, AY Streitel, R Pontoni, D Pershan, PS Deutsch, M Ocko, B Meron, M Lin, BH AF Shpyrko, OG Grigoriev, AY Streitel, R Pontoni, D Pershan, PS Deutsch, M Ocko, B Meron, M Lin, BH TI Atomic-scale surface demixing in a eutectic liquid BiSn alloy SO PHYSICAL REVIEW LETTERS LA English DT Article ID X-RAY REFLECTIVITY; VAPOR INTERFACE; FREE SOLDERS; SCATTERING; GA; TENSION; SYSTEM; SEGREGATION; CU3AU(001); ADSORPTION AB Resonant x-ray reflectivity of the surface of the liquid phase of the Bi43Sn57 eutectic alloy reveals atomic-scale demixing extending over three near-surface atomic layers. Because of the absence of an underlying atomic lattice which typically defines adsorption in crystalline alloys, studies of adsorption in liquid alloys provide unique insight on interatomic interactions at the surface. The observed composition modulation could be accounted for quantitatively by the Defay-Prigogine and Strohl-King multilayer extensions of the single-layer Gibbs model, revealing a near-surface domination of the attractive Bi-Sn interaction over the entropy. C1 Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. Harvard Univ, DEAS, Cambridge, MA 02138 USA. Bar Ilan Univ, Dept Phys, IL-52900 Ramat Gan, Israel. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Univ Chicago, CARS, Chicago, IL 60637 USA. RP Shpyrko, OG (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM oleg@xray.harvard.edu RI Shpyrko, Oleg/J-3970-2012 NR 44 TC 36 Z9 37 U1 5 U2 12 PU AMERICAN 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 SEP 2 PY 2005 VL 95 IS 10 AR 106103 DI 10.1103/PhysRevLett.95.106103 PG 4 WC Physics, Multidisciplinary SC Physics GA 960TI UT WOS:000231615700034 PM 16196945 ER PT J AU Zurek, WH Dorner, U Zoller, P AF Zurek, WH Dorner, U Zoller, P TI Dynamics of a quantum phase transition SO PHYSICAL REVIEW LETTERS LA English DT Article ID COSMOLOGICAL EXPERIMENTS; DEFECT FORMATION; STRING FORMATION; VORTEX FORMATION; SYMMETRY BREAKS; LIQUID-CRYSTALS; COSMIC STRINGS; GENERATION; VORTICES; PIECES AB We present two approaches to the dynamics of a quench-induced phase transition in the quantum Ising model. One follows the standard treatment of thermodynamic second order phase transitions but applies it to the quantum phase transitions. The other approach is quantum, and uses Landau-Zener formula for transition probabilities in avoided level crossings. We show that predictions of the two approaches of how the density of defects scales with the quench rate are compatible, and discuss the ensuing insights into the dynamics of quantum phase transitions. C1 Los Alamos Natl Lab, Div Theory, Los Alamos, NM 87545 USA. Univ Oxford, Clarendon Lab, Oxford OX1 3PU, England. Univ Innsbruck, Inst Theoret Phys, A-6020 Innsbruck, Austria. Austrian Acad Sci, Inst Quantum Opt & Quantum Informat, A-6020 Innsbruck, Austria. RP Zurek, WH (reprint author), Los Alamos Natl Lab, Div Theory, MS-B213, Los Alamos, NM 87545 USA. RI Zoller, Peter/O-1639-2014 OI Zoller, Peter/0000-0003-4014-1505 NR 34 TC 327 Z9 329 U1 1 U2 20 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 SEP 2 PY 2005 VL 95 IS 10 AR 105701 DI 10.1103/PhysRevLett.95.105701 PG 4 WC Physics, Multidisciplinary SC Physics GA 960TI UT WOS:000231615700030 PM 16196941 ER PT J AU Crommie, MF AF Crommie, MF TI Manipulating magnetism in a single molecule SO SCIENCE LA English DT Editorial Material ID KONDO RESONANCE; ATOM; TRANSISTORS C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Crommie, MF (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM crom-mie@berkeley.edu NR 17 TC 19 Z9 20 U1 1 U2 20 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 SEP 2 PY 2005 VL 309 IS 5740 BP 1501 EP 1502 DI 10.1126/science.1117039 PG 2 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 962EY UT WOS:000231715000031 PM 16141055 ER PT J AU Santer, BD Wigley, TML Mears, C Wentz, FJ Klein, SA Seidel, DJ Taylor, KE Thorne, PW Wehner, MF Gleckler, PJ Boyle, JS Collins, WD Dixon, KW Doutriaux, C Free, M Fu, Q Hansen, JE Jones, GS Ruedy, R Karl, TR Lanzante, JR Meehl, GA Ramaswamy, V Russell, G Schmidt, GA AF Santer, BD Wigley, TML Mears, C Wentz, FJ Klein, SA Seidel, DJ Taylor, KE Thorne, PW Wehner, MF Gleckler, PJ Boyle, JS Collins, WD Dixon, KW Doutriaux, C Free, M Fu, Q Hansen, JE Jones, GS Ruedy, R Karl, TR Lanzante, JR Meehl, GA Ramaswamy, V Russell, G Schmidt, GA TI Amplification of surface temperature trends and variability in the tropical atmosphere SO SCIENCE LA English DT Article ID SATELLITE; TROPOSPHERE; RADIOSONDE AB The month-to-month variability of tropical temperatures is larger in the troposphere than at Earth's surface. This amplification behavior is similar in a range of observations and climate model simulations and is consistent with basic theory. On multidecadal time scales, tropospheric amplification of surface warming is a robust feature of model simulations, but it occurs in only one observational data set. Other observations show weak, or even negative, amplification. These results suggest either that different physical mechanisms control amplification processes on monthly and decadal time scales, and models fail to capture such behavior or (more plausibly) that residual errors in several observational data sets used here affect their representation of long-term trends. C1 Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA 94550 USA. Natl Ctr Atmospher Res, Boulder, CO 80303 USA. Remote Syst Sensing, Santa Rosa, CA 95401 USA. NOAA, Air Resources Lab, Silver Spring, MD 20910 USA. UK Met Off, Hadlet Ctr Climate Predict & Res, Exeter EX1 3PB, Devon, England. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NOAA, Geophys Fluid Dynam Lab, Princeton, NJ 08542 USA. Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA. NASA, Goddard Inst Space Studies, New York, NY 10025 USA. NOAA, Natl Climat Data Ctr, Asheville, NC 28801 USA. RP Santer, BD (reprint author), Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA 94550 USA. EM santer1@llnl.gov RI Wigley, Tom/B-4705-2008; Taylor, Karl/F-7290-2011; Santer, Benjamin/F-9781-2011; Schmidt, Gavin/D-4427-2012; Gleckler, Peter/H-4762-2012; Jones, Gareth/H-8022-2013; Thorne, Peter/F-2225-2014; Collins, William/J-3147-2014; Dixon, Keith/L-7120-2015; Klein, Stephen/H-4337-2016 OI Taylor, Karl/0000-0002-6491-2135; Schmidt, Gavin/0000-0002-2258-0486; Gleckler, Peter/0000-0003-2816-6224; Thorne, Peter/0000-0003-0485-9798; Collins, William/0000-0002-4463-9848; Dixon, Keith/0000-0003-3044-326X; Klein, Stephen/0000-0002-5476-858X NR 30 TC 175 Z9 177 U1 2 U2 32 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 SEP 2 PY 2005 VL 309 IS 5740 BP 1551 EP 1556 DI 10.1126/science.1114867 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 962EY UT WOS:000231715000047 PM 16099951 ER PT J AU Williams, PJ Biernacki, JJ Rawn, CJ Walker, L Bai, JM AF Williams, PJ Biernacki, JJ Rawn, CJ Walker, L Bai, JM TI Microanalytical and computational analysis of Class F fly ash SO ACI MATERIALS JOURNAL LA English DT Article DE fly ash; scanning electron microscopy; x-ray diffraction ID CALCIUM HYDROXIDE AB A Class F fly ash has been analyzed using synchrotron x-ray diffraction (XRD), thermogravimetric analysis (TGA), and scanning electron microscopy (SEM) to determine the composition, phase distribution, particle size, and particle morphology. XRD showed the existence of mullite, quartz, Fe2O3 (hematite or maghemite), and CaSO4 (anhydrite), with the possibility of calcium hydroxide (CH), which was also confirmed using TGA. SEM and x-ray microanalysis indicate four particle types: 1) a mixed aluminosilicate (A-S) phase with variable amounts of calcium, iron, and magnesium; 2) quartz or glassy silica; 3) FeO, Fe2O3, or an MgO-FeO phase; and 4) Ca(OH)2 mixed with CaSO4. A combination of image analysis and XRD was used to identify and quantify the phase fraction of the major components in the system, including aluminosilicate glass and silica. These were used to construct segmented microstructures suitable for use in multi-scale microstructural simulations. Microanalysis also suggests that the A-S glassy portion of the ash may actually be two separately identifiable gWses or at least bounded by the compositions AS(3) and A(2)S(3). C1 Georgia Inst Technol, Atlanta, GA 30332 USA. Tennessee Technol Univ, Cookeville, TN 38505 USA. Oak Ridge Natl Lab, High Temp Mat Lab, Oak Ridge, TN 37831 USA. RP Williams, PJ (reprint author), Georgia Inst Technol, Atlanta, GA 30332 USA. RI Bai, Jianming/O-5005-2015 NR 17 TC 13 Z9 13 U1 0 U2 4 PU AMER CONCRETE INST PI FARMINGTON HILLS PA 38800 INTERNATIONAL WAY, COUNTRY CLUB DRIVE, PO BOX 9094, FARMINGTON HILLS, MI 48333-9094 USA SN 0889-325X J9 ACI MATER J JI ACI Mater. J. PD SEP-OCT PY 2005 VL 102 IS 5 BP 330 EP 337 PG 8 WC Construction & Building Technology; Materials Science, Multidisciplinary SC Construction & Building Technology; Materials Science GA 966AH UT WOS:000231991500006 ER PT J AU Drummond, LA Marques, OA AF Drummond, LA Marques, OA TI An overview of the Advanced Computational Software (ACTS) Collection SO ACM TRANSACTIONS ON MATHEMATICAL SOFTWARE LA English DT Article DE algorithms; design; performance; reliability; computational sciences; high-performance computing ID SIMULATION AB The ACTS Collection brings together a number of general-purpose computational tools that were developed by independent research projects mostly funded and supported by the U.S. Department of Energy. These tools tackle a number of common computational issues found in many applications, mainly implementation of numerical algorithms, and support for code development, execution, and optimization. In this article, we introduce the numerical tools in the collection and their functionalities, present a model for developing more complex computational applications on top of ACTS tools, and summarize applications that use these tools. Last, we present a vision of the ACTS project for deployment of the ACTS Collection by the computational sciences community. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Drummond, LA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd,MS 50F 1650, Berkeley, CA 94720 USA. EM LADrummong@lbl.gov; OAMarques@lbl.gov NR 42 TC 7 Z9 7 U1 0 U2 1 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 0098-3500 J9 ACM T MATH SOFTWARE JI ACM Trans. Math. Softw. PD SEP PY 2005 VL 31 IS 3 BP 282 EP 301 DI 10.1145/1089014.1089016 PG 20 WC Computer Science, Software Engineering; Mathematics, Applied SC Computer Science; Mathematics GA 974ND UT WOS:000232597800002 ER PT J AU Li, XYS AF Li, XYS TI An overview of SuperLU: Algorithms, implementation, and user interface SO ACM TRANSACTIONS ON MATHEMATICAL SOFTWARE LA English DT Article DE algorithms; performance; sparse direct solver; supernodal factorization; parallelism; distributed-memory computers; scalability ID SPARSE GAUSSIAN-ELIMINATION; SYMBOLIC FACTORIZATION; LINEAR-SYSTEMS; DESIGN AB We give an overview of the algorithms, design philosophy, and implementation techniques in the software SuperLU, for solving sparse unsymmetric linear systems. In particular, we highlight the differences between the sequential SuperLU (including its multithreaded extension) and parallel SuperLU_DIST These include the numerical pivoting strategy, the ordering strategy for preserving sparsity, the ordering in which the updating tasks are performed, the numerical kernel, and the parallelization strategy. Because of the scalability concern, the parallel code is drastically different from the sequential one. We describe the user interfaces of the libraries, and illustrate how to use the libraries most efficiently depending on some matrix characteristics. Finally, we give some examples of how the solver has been used in large-scale scientific applications, and the performance. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Li, XYS (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, MS 50F 1650,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM xs1i@lbl.gov NR 39 TC 80 Z9 81 U1 0 U2 6 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036 USA SN 0098-3500 J9 ACM T MATH SOFTWARE JI ACM Trans. Math. Softw. PD SEP PY 2005 VL 31 IS 3 BP 302 EP 325 DI 10.1145/1089014.1089017 PG 24 WC Computer Science, Software Engineering; Mathematics, Applied SC Computer Science; Mathematics GA 974ND UT WOS:000232597800003 ER PT J AU Falgout, RD Jones, JE Yang, UM AF Falgout, RD Jones, JE Yang, UM TI Pursuing scalability for hypre's conceptual interfaces SO ACM TRANSACTIONS ON MATHEMATICAL SOFTWARE LA English DT Article DE algorithms; design; performance; user interfaces; scalability; parallel programming ID TERMINATION DETECTION; PRECONDITIONERS AB The software library hypre provides high-performance preconditioners and solvers for the solution of large, sparse linear systems on massively parallel computers as well as conceptual interfaces that allow users to access the library in the way they naturally think about their problems. These interfaces include a stencil-based structured interface (Struct); a semistructured interface (semiStruct), which is appropriate for applications that are mostly structured, for example, block structured grids, composite grids in structured adaptive mesh refinement applications, and over-set grids; and a finite element interface (FEI) for unstructured problems, as well as a conventional linear-algebraic interface (IJ). It is extremely important to provide an efficient, scalable implementation of these interfaces in order to support the scalable solvers of the library, especially when using tens of thousands of processors. This article describes the data structures, parallel implementation, and resulting performance of the IJ, Struct and semiStruct interfaces. It investigates their scalability, presents successes as well as pitfalls of some of the approaches and suggests ways of dealing with them. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Florida Inst Technol, Dept Math Sci, Melbourne, FL 32901 USA. RP Falgout, RD (reprint author), Lawrence Livermore Natl Lab, POB 808,L-561, Livermore, CA 94551 USA. EM rfalgout@llnl.tgov; jim@fit.edu; umyang@llnl.gov OI Jones, Jim/0000-0002-0144-6130 NR 16 TC 36 Z9 37 U1 0 U2 1 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036 USA SN 0098-3500 J9 ACM T MATH SOFTWARE JI ACM Trans. Math. Softw. PD SEP PY 2005 VL 31 IS 3 BP 326 EP 350 DI 10.1145/1089014.1089018 PG 25 WC Computer Science, Software Engineering; Mathematics, Applied SC Computer Science; Mathematics GA 974ND UT WOS:000232597800004 ER PT J AU Hindmarsh, AC Brown, PN Grant, KE Lee, SL Serban, R Shumaker, DE Woodward, CS AF Hindmarsh, AC Brown, PN Grant, KE Lee, SL Serban, R Shumaker, DE Woodward, CS TI SUNDIALS: Suite of nonlinear and differential/algebraic equation solvers SO ACM TRANSACTIONS ON MATHEMATICAL SOFTWARE LA English DT Article DE algorithms; design; ODEs; DAEs; nonlinear systems; sensitivity analysis ID ALGEBRAIC SYSTEMS; LARGE-SCALE; SENSITIVITY ANALYSIS; RADIATION DIFFUSION; KRYLOV METHODS AB SUNDIALS is a suite of advanced computational codes for solving large-scale problems that can be modeled as a system of nonlinear algebraic equations, or as initial-value problems in ordinary differential or differential-algebraic equations. The basic versions of these codes are called KINSOL, CVODE, and IDA, respectively. The codes are written in ANSI standard C and are suitable for either serial or parallel machine environments. Common and notable features of these codes include inexact Newton-Krylov methods for solving large-scale nonlinear systems; linear multistep methods for time-dependent problems; a highly modular structure to allow incorporation of different preconditioning and/or linear solver methods; and clear interfaces allowing for users to provide their own data structures underneath the solvers. We describe the current capabilities of the codes, along with some of the algorithms and heuristics used to achieve efficiency and robustness. We also describe how the codes stem from previous and widely used Fortran 77 solvers, and how the codes have been augmented with forward and adjoint methods for carrying out first-order sensitivity analysis with respect to model parameters or initial conditions. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Hindmarsh, AC (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM alanh@llnl.gov; pnbrown@llnl.gov; keg@llnl.gov; slee@llnl.gov; radu@llnl.gov; shumaker@llnl.gov; cswoodward@llnl.gov RI Woodward, Carol/M-4008-2014 NR 41 TC 636 Z9 642 U1 1 U2 40 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 0098-3500 J9 ACM T MATH SOFTWARE JI ACM Trans. Math. Softw. PD SEP PY 2005 VL 31 IS 3 BP 363 EP 396 DI 10.1145/1089014.1089020 PG 34 WC Computer Science, Software Engineering; Mathematics, Applied SC Computer Science; Mathematics GA 974ND UT WOS:000232597800006 ER PT J AU Heroux, MA Bartlett, RA Howle, VE Hoekstra, RJ Hu, JJ Kolda, TG Lehoucq, RB Long, KR Pawlowski, RP Phipps, ET Salinger, AG Thornquist, HK Tuminaro, RS Willenbring, JM Williams, A Stanley, KS AF Heroux, MA Bartlett, RA Howle, VE Hoekstra, RJ Hu, JJ Kolda, TG Lehoucq, RB Long, KR Pawlowski, RP Phipps, ET Salinger, AG Thornquist, HK Tuminaro, RS Willenbring, JM Williams, A Stanley, KS TI An overview of the Trilinos Project SO ACM TRANSACTIONS ON MATHEMATICAL SOFTWARE LA English DT Article DE algorithms; design; performance; reliability; software framework; interfaces; Software Quality Engineering ID NAVIER-STOKES EQUATIONS; PRECONDITIONER; JAVA AB The Trilinos Project is an effort to facilitate the design, development, integration, and ongoing support of mathematical software libraries within an object-oriented framework for the solution of large-scale, complex multiphysics engineering and scientific problems. Trilinos addresses two fundamental issues of developing software for these problems: (i) providing a streamlined process and set of tools for development of new algorithmic implementations and (ii) promoting interoperability of independently developed software. Trilinos uses a two-level software structure designed around collections of packages. A Trilinos package is an integral unit usually developed by a small team of experts in a particular algorithms area such as algebraic preconditioners, nonlinear solvers, etc. Packages exist underneath the Trilinos top level, which provides a common look-and-feel, including configuration, documentation, licensing, and bug-tracking. Here we present the overall Trilinos design, describing our use of abstract interfaces and default concrete implementations. We discuss the services that Trilinos provides to a prospective package and how these services are used by various packages. We also illustrate how packages can be combined to rapidly develop new algorithms. Finally, we discuss how Trilinos facilitates high-quality software engineering practices that are increasingly required from simulation software. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Sandia Natl Labs, Livermore, CA 94551 USA. Oberlin Coll, Oberlin, OH 44074 USA. RP Heroux, MA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM maherou@sandia.gov; rabartl@sandia.gov; vehowle@sandia.gov; rjhoeks@sandia.gov; jhu@sandia.gov; tgkolda@sandia.gov; rblehou@sandia.gov; krlong@sandia.gov; rppawlo@sandia.gov; etphipp@sandia.gov; agsalin@sandia.gov; hkthorn@sandia.gov; rstumin@sandia.gov; jmwille@sandia.gov; william@sandia.gov; ken_s_stanley@yahoo.com RI Kolda, Tamara/B-1628-2009; Willenbring, Jane/B-6431-2011; OI Kolda, Tamara/0000-0003-4176-2493; Willenbring, Jane/0000-0003-2722-9537; Heroux, Michael/0000-0002-5893-0273 NR 62 TC 321 Z9 323 U1 0 U2 8 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036 USA SN 0098-3500 J9 ACM T MATH SOFTWARE JI ACM Trans. Math. Softw. PD SEP PY 2005 VL 31 IS 3 BP 397 EP 423 DI 10.1145/1089014.1089021 PG 27 WC Computer Science, Software Engineering; Mathematics, Applied SC Computer Science; Mathematics GA 974ND UT WOS:000232597800007 ER PT J AU Ramagopal, UA Dauter, Z Thirumuruhan, R Fedorov, E Almo, SC AF Ramagopal, UA Dauter, Z Thirumuruhan, R Fedorov, E Almo, SC TI Radiation-induced site-specific damage of mercury derivatives: phasing and implications SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID SULFUR ANOMALOUS SIGNAL; X-RAY-DIFFRACTION; PROTEIN CRYSTALS; IN-HOUSE; ABSORPTION-EDGE; MACROMOLECULAR CRYSTALLOGRAPHY; SUBSTRUCTURE SOLUTION; RESOLUTION; REFINEMENT; SCATTERING AB The behavior of mercury-derivatized triclinic crystals of a 60 kDa protein target from the New York Structural GenomiX Research Consortium provides novel insights into the mechanism of heavy-atom-specific radiation damage and its potential exploitation for de novo structure solution. Despite significant anomalous signal, structure solution by classic SAD and MAD phasing approaches was not successful. A detailed analysis revealed that significant isomorphic variation of the diffracted intensities was induced by X-ray irradiation. These intensity changes allowed the crystal structure to be solved by the radiation-damage-induced phasing ( RIP) technique. Inspection of the crystal structure and electron-density maps demonstrated that the covalent S - Hg bonds at all four derivatized cysteine sites were much more susceptible to radiation-induced cleavage than other bonds typically present in native proteins. A simple diagnostic is described to identify the fingerprint of such decay at the time of data collection/processing. The rapid radiation-induced decomposition of mercury adducts is consistent with the difficulties frequently associated with the experimental phasing of mercury derivatives and suggests a straightforward solution to overcome this limitation by radiation-damage-induced phasing with anomalous scattering (RIPAS). These results indicate that historically recalcitrant and newly emerging difficulties associated with Hg phasing should be revisited. C1 Yeshiva Univ Albert Einstein Coll Med, Dept Biochem, Bronx, NY 10461 USA. Argonne Natl Lab, Natl Canc Inst, Synchrotron Radiat Res Sect, Argonne, IL 60439 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. Yeshiva Univ Albert Einstein Coll Med, Dept Physiol & Biophys, Bronx, NY 10461 USA. Yeshiva Univ Albert Einstein Coll Med, Ctr Synchrotron Biosci, Bronx, NY 10461 USA. RP Ramagopal, UA (reprint author), Yeshiva Univ Albert Einstein Coll Med, Dept Biochem, 1300 Morris Pk Ave, Bronx, NY 10461 USA. EM acharya@bnl.gov; almo@aecom.yu.edu FU NIGMS NIH HHS [1P50 GM62529] NR 52 TC 35 Z9 36 U1 0 U2 1 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD SEP PY 2005 VL 61 BP 1289 EP 1298 DI 10.1107/S0907444905022316 PN 9 PG 10 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 955QZ UT WOS:000231243400015 PM 16131763 ER PT J AU Bitto, E Bingman, CA Robinson, H Allard, STM Wesenberg, GE Phillips, GN AF Bitto, E Bingman, CA Robinson, H Allard, STM Wesenberg, GE Phillips, GN TI The structure at 2.5 angstrom resolution of human basophilic leukemia-expressed protein BLES03 SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS LA English DT Article ID MACROMOLECULAR STRUCTURES; ELECTRON-DENSITY; EIF4E; DATABASE; CAP; REFINEMENT; INITIATION; REPRESSOR; TOPOLOGY; SOFTWARE AB The crystal structure of the human basophilic leukemia-expressed protein (BLES03, p5326, Hs.433573) was determined by single-wavelength anomalous diffraction and refined to an R factor of 18.8% (R-free = 24.5%) at 2.5 angstrom resolution. BLES03 shows no detectable sequence similarity to any functionally characterized proteins using state-of-the-art sequence-comparison tools. The structure of BLES03 adopts a fold similar to that of eukaryotic transcription initiation factor 4E (eIF4E), a protein involved in the recognition of the cap structure of eukaryotic mRNA. In addition to fold similarity, the electrostatic surface potentials of BLES03 and eIF4E show a clear conservation of basic and acidic patches. In the crystal lattice, the acidic amino-terminal helices of BLES03 monomers are bound within the basic cavity of symmetry-related monomers in a manner analogous to the binding of mRNA by eIF4E. Interestingly, the gene locus encoding BLES03 is located between genes encoding the proteins DRAP1 and FOSL1, both of which are involved in transcription initiation. It is hypothesized that BLES03 itself may be involved in a biochemical process that requires recognition of nucleic acids. C1 Univ Wisconsin, Dept Biochem, Ctr Eukaryot Struct Genom, Madison, WI 53706 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. RP Phillips, GN (reprint author), Univ Wisconsin, Dept Biochem, Ctr Eukaryot Struct Genom, Madison, WI 53706 USA. EM phillips@biochem.wisc.edu FU NIGMS NIH HHS [P50 GM64598, P50 GM064598] NR 39 TC 1 Z9 2 U1 0 U2 0 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1744-3091 J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Cryst. Commun. PD SEP PY 2005 VL 61 BP 812 EP 817 DI 10.1107/S1744309105023845 PN 9 PG 6 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 971AT UT WOS:000232354200002 PM 16511166 ER PT J AU Kulkarni, NS Iswaran, CV DeHoff, RT AF Kulkarni, NS Iswaran, CV DeHoff, RT TI Intrinsic diffusion simulation for single-phase, multicomponent systems SO ACTA MATERIALIA LA English DT Article DE diffusion; kinetics; intrinsic; simulation; modeling ID DARKENS EQUATIONS; TRANSFORMATIONS; COEFFICIENTS; ALLOYS; MIGRATION; BINARY; FRAMES AB A one-dimensional, finite difference simulation based on Darken's treatment of intrinsic diffusion for single-phase, multicomponent systems is described. For the study of intrinsic diffusion using semi-infinite diffusion couples for binary systems, the input to the simulation includes the initial concentration distributions, the molar volume and the intrinsic diffusion coefficients for the two components as a function of composition. The simulation provides as the output all the results that are obtained from a typical inter-diffusion experiment including the concentration profiles, the Kirkendall shift and interdiffusion fluxes of the components as a function of position and time. In addition, the intrinsic and vacancy fluxes, and the lattice shifts and lattice velocity profiles are also obtained at all positions within the diffusion zone. Since the simulation can handle variations in molar volume, information regarding fluxes and mean velocities in various reference frames are also provided. The internal consistency of the simulation is tested with the aid of an analytical model for a binary system where the interdiffusion coefficient and the ratio of the intrinsic diffusion coefficients are constant. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. RP Kulkarni, NS (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, 1 Bethel Valley Rd,POB 2008, Oak Ridge, TN 37831 USA. EM kulkarnins@ornl.gov NR 29 TC 12 Z9 12 U1 0 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD SEP PY 2005 VL 53 IS 15 BP 4097 EP 4110 DI 10.1016/j.actamat.2005.04.046 PG 14 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 961DR UT WOS:000231642600010 ER PT J AU Dryepondt, S Monceau, D Crabos, F Andrieu, E AF Dryepondt, S Monceau, D Crabos, F Andrieu, E TI Static and dynamic aspects of coupling between creep behavior and oxidation on MC2 single crystal superalloy at 1150 degrees C SO ACTA MATERIALIA LA English DT Article DE creep test; controlled atmosphere; nickel alloys; oxidation; high temperature deformation ID HIGH-TEMPERATURE OXIDATION; BASE SUPERALLOYS; NICKEL; ALLOY; OXIDE; CHROMIUM; INJECTION; VACANCIES; FILMS; IRON AB Creep tests were performed on thin wall specimens made of MC2 single crystal superalloy at 1150 degrees C and under controlled atmosphere. The results highlight the deleterious oxidation effect on creep properties. The assumption that oxidation leads to a non-loadbearing affected zone is insufficient to explain the difference in creep rate that was noticed between tests performed under synthetic air and under hydrogenated argon, and cannot explain the decrease of the strain rate during the tests that were carried out with a change of atmosphere from synthetic air to hydrogenated argon. On the other hand, these experimental results are consistent with vacancy injection due to partial cationic oxidation, which accelerates the creep rate by promoting creep mechanisms controlled by diffusion. The anionic protective alumina scale formed under hydrogenated argon prevents this vacancy flux. The integration of this dynamic and long range oxidation effect in creep strain models is discussed. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 CIRIMAT, UMR 5085, ENSIACET, INPT, F-31077 Toulouse, France. TURBOMECA, F-64511 Bordes, France. RP Dryepondt, S (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, 1 Bethel Valley Rd,Bldg 4500,POB 2008,MS-6156, Oak Ridge, TN 37831 USA. EM dryepondtsn@ornl.gov NR 33 TC 17 Z9 18 U1 0 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD SEP PY 2005 VL 53 IS 15 BP 4199 EP 4209 DI 10.1016/j.actamat.2005.05.018 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 961DR UT WOS:000231642600020 ER PT J AU Marquis, EA Seidman, DN AF Marquis, EA Seidman, DN TI Coarsening kinetics of nanoscale Al3Sc precipitates in an Al-Mg-Sc alloy SO ACTA MATERIALIA LA English DT Article DE Al3Sc precipitate; morphology; coarsening; transmission electron microscopy; atom-probe tomography ID BIMODAL SIZE DISTRIBUTIONS; AL(SC) ALLOYS; ALUMINUM; MO; EVOLUTION; DIFFUSION; SCANDIUM AB The effects of Mg alloying on the temporal evolution of Al3Sc (Ll(2) structure) nanoscale precipitates are investigated, focusing on the morphology and coarsening kinetics of Al3Sc precipitates in an Al-2.2 Mg 0. 12 Sc at.% alloy aged between 300 and 400 degrees C. Approximately spheroidal precipitates are obtained after aging at 300 degrees C and irregular morphologies are observed at 400 degrees C. The coarsening behavior is studied using conventional and high-resolution transmission electron microscopies to obtain the temporal evolution of the precipitate radius, and atom-probe tomography is employed to measure the Sc concentration in the a-matrix. The coarsening kinetics are analyzed using a coarsening model developed by Kuehmann and Voorhees for ternary systems [Kuehmarm 0, Voorhees PW. Metall Mater Trans A 1996;27:9371. Values of the interfacial free energy and diffusion coefficient for Sc diffusion in this Al-Mg-Sc alloy at 300 degrees C are independently calculated, and are in good agreement with the calculated value of interfacial free energy [Asta M, Ozolins V, Woodward C. JOM 2001;53:16] and the experimental diffusivity obtained for the Al-Sc system [Marquis EA, Seidman DN. Acta Mater 2001;49:1909; Marquis EA. Ph.D. Thesis. Materials Science and Engineering Department, Northwestern University, 2002; Fujikawa SI. Defect Diffusion Forum 1997;143-147:115]. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Northwestern Univ, Mat Sci & Engn Dept, Evanston, IL 60208 USA. Sandia Natl Labs, Dept Phys Mat, Livermore, CA 94550 USA. RP Seidman, DN (reprint author), Northwestern Univ, Mat Sci & Engn Dept, Evanston, IL 60208 USA. EM d-seidman@northwestern.edu RI Seidman, David/B-6697-2009; LAI, JING/F-6526-2010; Marquis, Emmanuelle/O-5647-2014 OI Marquis, Emmanuelle/0000-0002-6476-2835 NR 44 TC 57 Z9 62 U1 2 U2 40 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD SEP PY 2005 VL 53 IS 15 BP 4259 EP 4268 DI 10.1016/j.actamat.2005.05.025 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 961DR UT WOS:000231642600025 ER PT J AU Zhang, W DebRoy, T Palmer, TA Elmer, JW AF Zhang, W DebRoy, T Palmer, TA Elmer, JW TI Modeling of ferrite formation in a duplex stainless steel weld considering non-uniform starting microstructure SO ACTA MATERIALIA LA English DT Article DE phase transformation; duplex stainless steel; diffusion; welding; ferrite; austenite; modeling; uniform and non-uniform microstructures ID HEAT-AFFECTED ZONE; X-RAY-DIFFRACTION; IN-SITU OBSERVATIONS; FLUID-FLOW; PHASE-TRANSFORMATIONS; COMPLEX JOINTS; PART II; AUSTENITE; METAL; WELDMENTS AB A one-dimensional numerical diffusion model has been developed to simulate the kinetics of the austenite (gamma) to ferrite (delta) transformation in 2205 duplex stainless steel during welding. in this model, it is assumed that the transformation is driven by the diffusion of nitrogen under para-equilibrium conditions. Transformation kinetics from both uniform and non-uniform starting microstructures are investigated. The uniform starting structure is accounted for by using a pair of gamma and 6 grains of constant sizes, whereas non-uniform structures are simulated by considering four 7 and 6 grains of varying sizes. Interactions between neighboring grains, particularly hard and soft impingements, are taken into account by properly adjusting the boundary conditions. It is found that the transformation may take 30% more time for the non-uniform starting microstructure, where the ratio of thickest to thinnest grains is about 2, than for the uniform structure under typical weld heating conditions. Time-temperature-transformation and continuous heating-transformation diagrams are constructed using the numerical diffusion model, providing a graphical means for predicting the kinetics of the gamma -> delta transformation. The computed results were confirmed by experiments using an in-situ X-ray diffraction technique, thus validating the model. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP DebRoy, T (reprint author), Penn State Univ, Dept Mat Sci & Engn, 115 Steidle Bldg, University Pk, PA 16802 USA. EM debroy@psu.edu RI DebRoy, Tarasankar/A-2106-2010; Zhang, Wei/B-9471-2013 NR 34 TC 25 Z9 26 U1 1 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD SEP PY 2005 VL 53 IS 16 BP 4441 EP 4453 DI 10.1016/j.actamat.2005.05.040 PG 13 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 963HB UT WOS:000231793700014 ER PT J AU Johnston, D Burda, Z Jurkiewicz, J Kaminski, M Nowak, MA Papp, G Zahed, I AF Johnston, D Burda, Z Jurkiewicz, J Kaminski, M Nowak, MA Papp, G Zahed, I TI Wealth condensation and "corruption" in a toy model SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT Conference on Applications of Random Matrices to Economy and Other Complex Systems CY MAY 25-28, 2005 CL Cracow, POLAND ID STOCK-MARKET; DYNAMICS AB We discuss the wealth condensation mechanism in a simple toy economy in which individual agent's wealths are distributed according to a Pareto power law and the overall wealth is fixed. The observed behaviour is the manifestation of a transition which occurs in Zero Range Processes (ZRPs) or "balls in boxes" models. An amusing feature of the transition in this context is that the condensation can. be induced by increasing the exponent in the power law, which one might have naively assumed penalised greater wealths more. C1 Heriot Watt Univ, Sch Math & Comp Sci, Edinburgh EH14 4AS, Midlothian, Scotland. Jagiellonian Univ, Mark Kac Complex Syst Res Ctr, PL-30059 Krakow, Poland. Jagiellonian Univ, Marian Smoluchowski Inst Phys, PL-30059 Krakow, Poland. Eotvos Lorand Univ, Inst Phys, H-1117 Budapest, Hungary. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Heriot Watt Univ, Sch Math & Comp Sci, Edinburgh EH14 4AS, Midlothian, Scotland. RI Papp, Gabor/D-1851-2012; Johnston, Desmond/A-2233-2010 OI Johnston, Desmond/0000-0003-0556-3200 NR 13 TC 0 Z9 0 U1 0 U2 1 PU JAGIELLONIAN UNIV PRESS PI KRAKOW PA UL MICHALOWSKIEGO 9-2, KRAKOW, 31126, POLAND SN 0587-4254 EI 1509-5770 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD SEP PY 2005 VL 36 IS 9 BP 2709 EP 2717 PG 9 WC Physics, Multidisciplinary SC Physics GA 969HZ UT WOS:000232226500009 ER PT J AU Cui, Y Xu, CL Han, QY Choo, H Liaw, PK AF Cui, Y Xu, CL Han, QY Choo, H Liaw, PK TI Formation of dendritic nanotubes under an electric field SO ADVANCED ENGINEERING MATERIALS LA English DT Article C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Liaw, PK (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM ycui1@utk.edu RI Choo, Hahn/A-5494-2009 OI Choo, Hahn/0000-0002-8006-8907 NR 14 TC 1 Z9 1 U1 0 U2 3 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1438-1656 J9 ADV ENG MATER JI Adv. Eng. Mater. PD SEP PY 2005 VL 7 IS 9 BP 827 EP 829 DI 10.1002/adem.200500106 PG 3 WC Materials Science, Multidisciplinary SC Materials Science GA 981AN UT WOS:000233059500007 ER PT J AU Krauter, P Biermann, A Larsen, L AF Krauter, P Biermann, A Larsen, L TI Transport efficiency and deposition velocity of fluidized spores in ventilation ducts SO AEROBIOLOGIA LA English DT Article DE Bacillus atrophaeus; Bacillus globigii; biological warfare agent; fluidized spore; spore deposition; spore transport; ventilation duct ID PARTICLES; SURFACES; SMOOTH; MODEL AB Experiments with dry, fluidized spores were conducted in a test apparatus to delineate the extent of spore contamination and deposition behavior under normal airflow conditions within a ventilation system. The surrogate biological warfare agent used in experiments was the spore- forming bacterium Bacillus atrophaeus. Viable- spore- counting methods were used in the study because they provide the most important number for estimating human health effects. Three common ventilation duct materials were evaluated: flexible plastic, galvanized steel, and internally insulated fiberglass. Transport efficiency ranged from 9 to 13% in steel and fiberglass ducts; transport efficiency was far less ( 0.1 - 4%) in plastic duct. Results showed that the deposition of surrogate biological warfare agent was significantly different in the three duct materials evaluated. All experimentally determined, dimensionless deposition velocities were in the range of theoretical predictions for dimensionless roughness, k(+)= 10. All were 10 - 100 times greater than the velocities predicted for ducts with smoother surfaces, k(+)= 0.1. For plastic duct, greater dimensionless deposition velocities were likely the result of charge forces between spores and surface. However, for the steel duct, a relatively large dimensionless deposition velocity was unexpected. These findings imply that building contamination will likely vary, depending on the specific type of duct material used throughout an affected area. Results of this study may aid in re. ning existing particle- transport models and remediation activities. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. USA, W Desert Test Ctr, Army Dugway Proving Ground, Dugway, UT 84022 USA. RP Krauter, P (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94550 USA. EM krauter2@llnl.gov NR 27 TC 5 Z9 5 U1 0 U2 2 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0393-5965 J9 AEROBIOLOGIA JI Aerobiologia PD SEP PY 2005 VL 21 IS 3-4 BP 155 EP 172 DI 10.1007/s10453-005-9001-z PG 18 WC Biology; Environmental Sciences SC Life Sciences & Biomedicine - Other Topics; Environmental Sciences & Ecology GA 998VF UT WOS:000234347300002 ER PT J AU Silva, RG Holub, SM Jorgensen, EE Ashanuzzaman, ANM AF Silva, RG Holub, SM Jorgensen, EE Ashanuzzaman, ANM TI Indicators of nitrate leaching loss under different land use of clayey and sandy soils in southeastern Oklahoma SO AGRICULTURE ECOSYSTEMS & ENVIRONMENT LA English DT Article DE ecosystems; indicators for nitrate; land use; leaching losses; soil types ID DRINKING-WATER; REDUCTASE-ACTIVITY; FOREST ECOSYSTEMS; COW URINE; NITROGEN; METHEMOGLOBINEMIA; MANAGEMENT; CHEMISTRY; LYSIMETER; ROTATION AB Evidence of increasing nitrate (NO3-) leaching losses from soils under various land-use systems has elevated the interest and need to find better land-management practices. An essential step is to find and understand the common parameters that closely relate to leaching losses across a wide range of land-use systems. The overall objective of this study was to relate NO3- leaching losses to various properties across soil types and land-use systems. We chose two locations in southeastern Oklahoma with different soil types. The land-use systems were old-field (abandoned grassland), forest and cultivated arable crop. Parameters determined were soil biomass C, biomass N, total C, total N, extractable mineral N, pH, moisture, CO2 emission and lysimeter-drained water NO3- concentration. Firstly, stepwise multiple linear-regression analyses were performed between biannual NO3- leaching losses and monthly measured independent variables. Secondly, annual and biannual timescale-independent variables and respective NO3- leaching losses were used to perform a regression model. Monthly measured parameters explained over 75% of the biannual NO3- leaching losses, but often with different explanatory variables. Land use was the dominant parameter on monthly models, while soil total C, total C/N ratio, extractable NH4+ and NO3- concentrations and water flux were the most frequently included parameters. When annual- and biannual-mean parameter values were used in regression, leaching losses were explained by somewhat similar parameters to monthly models. Together, these parameters explained only 63, 53 and 44% of the total variation in NO3- leaching loss for the first, second and biannual period, respectively. These models explained a consistently lower amount of variation than the monthly models. Additionally, more than 70% of the total variation could be explained by NO3- concentration and the tested soil-type related parameters. Results from this study - leaching losses across land-use systems can be explained by a number of revealed that annual and biannual trends of NO3- parameters collectively rather than a single parameter. Thus, there is no single parameter that can be used to fully predict NO3- leaching losses across different land-use systems on a monthly, annual and biannual basis. Additionally, there is no specific month or season for sampling to better predict NO3- leaching losses across different soil and land-use systems. (c) 2005 Elsevier B.V. All rights reserved. C1 Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA. Natl Risk Management Res Lab, Off Res & Dev, United State Environm Protect Agcy, Ada, OK 74820 USA. Shaw Environm Inc, Natl Risk Management Res Lab, Ada, OK 74820 USA. RP Silva, RG (reprint author), Shaw Environm Inc, Robert S Kerr Environm Res Ctr, POB 1198, Ada, OK 74820 USA. EM silva.gunadasa@epa.gov NR 41 TC 22 Z9 26 U1 2 U2 25 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-8809 J9 AGR ECOSYST ENVIRON JI Agric. Ecosyst. Environ. PD SEP 1 PY 2005 VL 109 IS 3-4 BP 346 EP 359 DI 10.1016/j.agee.2004.12.018 PG 14 WC Agriculture, Multidisciplinary; Ecology; Environmental Sciences SC Agriculture; Environmental Sciences & Ecology GA 952CQ UT WOS:000230979800017 ER PT J AU Kouzes, RT AF Kouzes, RT TI Detecting illicit nuclear materials SO AMERICAN SCIENTIST LA English DT Article C1 Pacific NW Natl Lab, Dept Energy, Richland, WA 99352 USA. Washington State Univ, Pullman, WA 99164 USA. RP Kouzes, RT (reprint author), Pacific NW Natl Lab, Dept Energy, MS P8-20,POB 999, Richland, WA 99352 USA. EM RKouzes@pnl.gov NR 10 TC 25 Z9 25 U1 0 U2 8 PU SIGMA XI-SCI RES SOC PI RES TRIANGLE PK PA PO BOX 13975, RES TRIANGLE PK, NC 27709 USA SN 0003-0996 J9 AM SCI JI Am. Scientist PD SEP-OCT PY 2005 VL 93 IS 5 BP 422 EP 427 DI 10.1511/2005.55.973 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 954OY UT WOS:000231165600025 ER PT J AU Shi, HT Parham, JF Simison, WB Wang, JC Gong, SP Fu, BL AF Shi, HT Parham, JF Simison, WB Wang, JC Gong, SP Fu, BL TI A report on the hybridization between two species of threatened Asian box turtles (Testudines : Cuora) in the wild on Hainan Island (China) with comments on the origin of 'serrata'-like turtles SO AMPHIBIA-REPTILIA LA English DT Article ID GALBINIFRONS C1 Hainan Normal Univ, Haikou 571158, Peoples R China. Joint Genome Inst, Evolutionary Genom Dept, Walnut Creek, CA 94598 USA. Univ Calif Berkeley, Museum Paleontol, Berkeley, CA 94720 USA. Beijing Normal Univ, Coll Life Sci, Beijing 100875, Peoples R China. RP Shi, HT (reprint author), Hainan Normal Univ, Haikou 571158, Peoples R China. EM haitao-shi@263.net; parham@socrates.berkeley.edu RI Simison, W. Brian/B-1315-2011 NR 16 TC 16 Z9 19 U1 0 U2 1 PU BRILL ACADEMIC PUBLISHERS PI LEIDEN PA PLANTIJNSTRAAT 2, P O BOX 9000, 2300 PA LEIDEN, NETHERLANDS SN 0173-5373 J9 AMPHIBIA-REPTILIA JI Amphib. Reptil. PD SEP PY 2005 VL 26 IS 3 BP 377 EP 381 DI 10.1163/156853805774408487 PG 5 WC Zoology SC Zoology GA 975PQ UT WOS:000232674800012 ER PT J AU Wall, JS Kennel, SJ Paulus, MJ Gleason, S Gregor, J Baba, J Schell, M Richey, T O'Nuallain, B Donnell, R Hawkins, PN Weiss, DT Solomon, A AF Wall, JS Kennel, SJ Paulus, MJ Gleason, S Gregor, J Baba, J Schell, M Richey, T O'Nuallain, B Donnell, R Hawkins, PN Weiss, DT Solomon, A TI Quantitative high-resolution microradiographic imaging of amyloid deposits in a novel murine model of AA amyloidosis SO AMYLOID-JOURNAL OF PROTEIN FOLDING DISORDERS LA English DT Article DE imaging; AA amyloid; mouse model; serum amyloid P component ID P COMPONENT SCINTIGRAPHY; RAY COMPUTED-TOMOGRAPHY; TRANSGENIC MOUSE MODEL; SYSTEMIC AMYLOIDOSIS; PROTEIN; DIAGNOSIS AB The mouse model of experimentally induced systemic AA amyloidosis is long established, well validated, and closely analogous to the human form of this disease. However, the induction of amyloid by experimental inflammation is unpredictable, inconsistent, and difficult to modulate. We have previously shown that murine AA amyloid deposits can be imaged using iodine-123 labeled SAP scintigraphy and report here substantial refinements in both the imaging technology and the mouse model itself. In this regard, we have generated a novel prototype of AA amyloid in which mice expressing the human interleukin 6 gene, when given amyloid enhancing factor, develop extensive and progressive systemic AA deposition without an inflammatory stimulus, i.e., a transgenic rapidly inducible amyloid disease (TRIAD) mouse. Additionally, we have constructed high-resolution micro single photon emission computed tomography (SPECT)/computed tomography (CT) instrumentation that provides images revealing the precise anatomic location of amyloid deposits labeled by radioiodinated serum amyloid P component (SAP). Based on reconstructed microSPECT/CT images, as well as autoradiographic, isotope biodistribution, and quantitative histochemical analyses, the I-251-labeled SAP tracer bound specifically to hepatic and splenic amyloid in the TRIAD animals. The ability to discern radiographically the extent of amyloid burden in the TRIAD model provides a unique opportunity to evaluate the therapeutic efficacy of pharmacologic compounds designed to inhibit fibril formation or effect amyloid resolution. C1 Univ Tennessee, Grad Sch Med, Human Immunol & Canc Program, Dept Med, Knoxville, TN 37920 USA. Oak Ridge Natl Lab, Engn Sci & Technol Grp, Oak Ridge, TN USA. Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN USA. Univ Tennessee, Dept Comp Sci, Knoxville, TN 37920 USA. Univ Tennessee, Coll Vet Med, Dept Pathobiol, Knoxville, TN 37920 USA. Royal Free Hosp, Natl Amyloidosis Ctr, London NW3 2QG, England. RP Wall, JS (reprint author), Univ Tennessee, Grad Sch Med, Human Immunol & Canc Program, Dept Med, 1924 Alcoa Highway, Knoxville, TN 37920 USA. EM jwall@mc.utmck.edu RI Hawkins, Philip/C-5573-2008; OI Donnell, Robert L./0000-0002-6778-954X FU NIBIB NIH HHS [EB000789] NR 32 TC 17 Z9 18 U1 1 U2 5 PU PARTHENON PUBLISHING GROUP PI LANCASTER PA RICHMOND HOUSE, WHITE CROSS, SOUTH ROAD, LANCASTER LA1 4XQ, ENGLAND SN 1350-6129 J9 AMYLOID JI Amyloid-J. Protein Fold. Disord. PD SEP PY 2005 VL 12 IS 3 BP 149 EP 156 DI 10.1080/13506120500222359 PG 8 WC Biochemistry & Molecular Biology; Medicine, General & Internal; Medicine, Research & Experimental SC Biochemistry & Molecular Biology; General & Internal Medicine; Research & Experimental Medicine GA 976VI UT WOS:000232761200002 PM 16194869 ER PT J AU Waychunas, G Trainor, T Eng, P Catalano, J Brown, G Davis, J Rogers, J Bargar, J AF Waychunas, G Trainor, T Eng, P Catalano, J Brown, G Davis, J Rogers, J Bargar, J TI Surface complexation studied via combined grazing-incidence EXAFS and surface diffraction: arsenate an hematite (0001) and (10-12) SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY LA English DT Article DE crystal truncation rod; GIXAFS; EXAFS; surface structure; hematite; arsenate ID X-RAY REFLECTIVITY; ROD; FERRIHYDRITE; ABSORPTION; ADSORPTION; SPECIATION; INTERFACE; ROUGHNESS; XANES AB X-ray diffraction [crystal-truncation-rod (CTR)] studies of the surface structure of moisture-equilibrated hematite reveal sites for complexation not present on the bulk oxygen-terminated surface, and impose constraints on the types of inner-sphere sorption topologies. We have used this improved model of the hematite surface to analyze grazing-incidence EXAFS results for arsenate sorption on the c (0001) and r (1012) surfaces measured in two electric vector polarizations. This work shows that the reconfiguration of the surface under moist conditions is responsible for an increased adsorption density of arsenate complexes on the (0001) surface relative to predicted ideal termination, and an abundance of "edge-sharing" bidentate complexes on both studied surfaces. We consider possible limitations on combining the methods due to differing surface sensitivities, and discuss further analysis possibilities using both methods. C1 Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Alaska Fairbanks, Fairbanks, AK 99775 USA. Argonne Natl Lab, CARS, Chicago, IL 60637 USA. Argonne Natl Lab, Environm Chem Div, Argonne, IL 60637 USA. Stanford Univ, Stanford, CA 94305 USA. US Geol Survey, Menlo Pk, CA 94025 USA. Stanford Synchrotron Radiat Lab, Stanford, CA 94305 USA. RP Waychunas, G (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM gawaychunas@lbl.gov RI Catalano, Jeffrey/A-8322-2013 OI Catalano, Jeffrey/0000-0001-9311-977X NR 30 TC 43 Z9 43 U1 0 U2 12 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1618-2642 EI 1618-2650 J9 ANAL BIOANAL CHEM JI Anal. Bioanal. Chem. PD SEP PY 2005 VL 383 IS 1 BP 12 EP 27 DI 10.1007/s00216-005-3393-z PG 16 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 979NR UT WOS:000232952600005 PM 16142422 ER PT J AU Nilsson, HJ Tyliszczak, T Wilson, RE Werme, L Shuh, DK AF Nilsson, HJ Tyliszczak, T Wilson, RE Werme, L Shuh, DK TI Soft X-ray scanning transmission X-ray microscopy (STXM) of actinide particles SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY LA English DT Article DE actinide; STXM; NEXAFS; spectromicroscopy; plutonium; neptunium ID ADVANCED LIGHT-SOURCE; OXYGEN K-EDGE; ABSORPTION; URANIUM; SCATTERING; PLUTONIUM AB A descriptive account is given of our most recent research on the actinide dioxides with the Advanced Light Source Molecular Environmental Science (ALS-MES) Beamline 11.0.2 soft X-ray scanning transmission X-ray microscope (STXM) at the Lawrence Berkeley National Laboratory (LBNL). The ALS-MES STXM permits near-edge X-ray absorption fine structure (NEXAFS) and imaging with 30-nm spatial resolution. The first STXM spectromicroscopy NEXAFS spectra at the actinide 4d(5/2) edges of the imaged transuranic particles, NpO2 and PuO2, have been obtained. Radiation damage induced by the STXM was observed in the investigation of a mixed oxidation state particle (Np(V,Vl)) and was minimized during collection of the actual spectra at the 4d(5/2) edge of the Np(V,VI) solid. A plutonium elemental map was obtained from an irregular PuO2 particle with the dimensions of 650 x 650 nm. The Pu 4d(5/2) NEXAFS spectra were collected at several different locations from the PuO2 particle and were identical. A representative oxygen K-edge spectrum from UO2 was collected and resembles the oxygen K-edge from the bulk material. The unique and current performance of the ALS-MES STXM at extremely low energies (ca. 100 eV) that may permit the successful measurement of the actinide 5d edge is documented. Finally, the potential of STXM as a tool for actinide investigations is briefly discussed. C1 Lawrence Berkeley Natl Lab, Glenn T Seaborg Ctr, Div Chem Sci, Berkeley, CA 94720 USA. SKB, S-10240 Stockholm, Sweden. Lawrence Berkeley Natl Lab, Ctr Nucl Sci, Berkeley, CA 94720 USA. Uppsala Univ, Dept Phys, S-75121 Uppsala, Sweden. RP Shuh, DK (reprint author), Lawrence Berkeley Natl Lab, Glenn T Seaborg Ctr, Div Chem Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM DKShuh@lbl.gov RI Wilson, Richard/H-1763-2011 OI Wilson, Richard/0000-0001-8618-5680 NR 23 TC 32 Z9 32 U1 0 U2 20 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1618-2642 J9 ANAL BIOANAL CHEM JI Anal. Bioanal. Chem. PD SEP PY 2005 VL 383 IS 1 BP 41 EP 47 DI 10.1007/s00216-005-3355-5 PG 7 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 979NR UT WOS:000232952600007 PM 16021423 ER PT J AU Soderholm, L Skanthakumar, S Neuefeind, J AF Soderholm, L Skanthakumar, S Neuefeind, J TI Determination of actinide speciation in solution using high-energy X-ray scattering SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY LA English DT Article DE X-ray scattering; solution speciation; uranyl ion; synchrotron studies; actinide ion; uranium ID AQUEOUS CHLORIDE SOLUTIONS; RARE-EARTH IONS; URANYL-CATION; COORDINATION HYDRATION; MOLECULAR-STRUCTURE; TELL US; DIFFRACTION; WATER; COMPLEXES; DENSITY AB High-energy X-ray scattering (HEXS) has been used to understand the coordination environment of the uranyl ion in a perchlorate solution. Assuming the two coordinating oxo ligands bound to U(VI) are represented in a peak in the pair distribution function (PDF) at 1.766(1) (A) over circle, integration of the peak intensity is used to quantify the charge located on the oxygens. The dioxo ligands are essentially neutral, as predicted by numerous published calculations, with a charge of -16.4(8) electrons. The peak in the PDF at 2.420(1) (A) over circle is consistent with equatorial ligating waters. The intensity of this peak is inconsistent with an integral coordination number and is used to propose a solution equilibrium of five and four waters coordinating to the uranyl(VI) ion favoring the five-coordinate species. This equilibrium is then used to experimentally determine that five-coordinate uranyl is 1.19 +/- 0.42 kcal/mol more stable than its four-coordinate counterpart under the conditions of the experiment. Further peaks in the Fourier transform of the scattering data at 4.50, 7, and 8.7 (A) over circle are attributed to uranium-solvent correlations. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. EM LS@anl.gov RI Neuefeind, Joerg/D-9990-2015 OI Neuefeind, Joerg/0000-0002-0563-1544 NR 50 TC 71 Z9 71 U1 3 U2 27 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1618-2642 EI 1618-2650 J9 ANAL BIOANAL CHEM JI Anal. Bioanal. Chem. PD SEP PY 2005 VL 383 IS 1 BP 48 EP 55 DI 10.1007/s00216-005-3322-1 PG 8 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 979NR UT WOS:000232952600008 PM 15997379 ER PT J AU Brantley, PS AF Brantley, PS TI A mixed P-1-DP0 diffusion theory for planar geometry SO ANNALS OF NUCLEAR ENERGY LA English DT Article ID TRANSPORT PROBLEMS; APPROXIMATION AB A variational analysis is used to derive a mixed P-1-DP0 (P-1 spherical harmonics-double P-0 spherical harmonics) angular approximation to the time-independent monoenergetic neutron transport equation in one-dimensional planar geometry. This mixed angular approximation contains a space-dependent weight factor alpha(x) that controls the local angular approximation used at a spatial point x: alpha(x) = 1 yields the standard P-1 (diffusion) approximation, alpha(x) = 0 gives the standard DP0 approximation, and 0 < alpha(x) < 1 produces a mixed P-1-DP0 angular approximation. The diffusion equation obtained differs from the standard P-1 diffusion equation only in the definition of the diffusion coefficient. Standard Marshak incident angular flux boundary conditions are also obtained via the variational analysis. We examine the use of this mixed angular approximation coupled with the standard P-1 approximation to more accurately treat material interfaces and vacuum boundaries. We propose a simple but effective functional form for the weight factor alpha(x) that removes the need for the user to specify the value. Numerical results from several test problems are presented to demonstrate that significant improvements in accuracy can be obtained using this method with essentially no computational penalty. (c) 2005 Elsevier Ltd. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Brantley, PS (reprint author), Lawrence Livermore Natl Lab, POB 808,L-023, Livermore, CA 94551 USA. EM brantley1@llnl.gov NR 19 TC 1 Z9 1 U1 0 U2 0 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0306-4549 J9 ANN NUCL ENERGY JI Ann. Nucl. Energy PD SEP PY 2005 VL 32 IS 14 BP 1525 EP 1545 DI 10.1016/j.anucene.2005.04.003 PG 21 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 966HE UT WOS:000232009900001 ER PT J AU He, ZL Wu, LY Fields, MW Zhou, JZ AF He, ZL Wu, LY Fields, MW Zhou, JZ TI Use of microarrays with different probe sizes for monitoring gene expression SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID ESCHERICHIA-COLI; OLIGONUCLEOTIDE ARRAYS; SHEWANELLA-ONEIDENSIS; HYBRIDIZATION; ENVIRONMENT; PREDICTION; DISCOVERY; DESIGN; CANCER; PH AB Microarrays with oligonucleotides of different lengths were used to monitor gene expression at a whole-genome level. To determine what length of oligonucleotide is a better alternative to PCR-generated probes, the performance of oligonucleotide probes was systematically compared to that of their PCR-generated counterparts for 96 genes from Shewanella oneidensis MR-1 in terms of overall signal intensity, numbers of genes detected, specificity, sensitivity, and differential gene expression under experimental conditions. Hybridizations conducted at 42 degrees C, 45 degrees C, 50 degrees C, and 60 degrees C indicated that good sensitivities were obtained at 45 degrees C for oligonucleotide probes in the presence of 50% formamide, under which conditions specific signals were detected by both PCR and oligonucleotide probes. Signal intensity increased as the length of the oligonucleotide probe increased, and the 70-mer oligonucleotide probes produced signal intensities similar to the intensities obtained with the PCR probes and detected numbers of open reading frames similar to the numbers detected with the PCR probes. PCR amplicon, 70-mer, 60-mer, and 50-mer arrays had detection sensitivities of 5.0, 25, 100, and 100 ng of genomic DNA, which were equivalent to approximately 1.9x10(6), 9.2x10(6), 3.7x10(7), and 3.7x10(7) copies, respectively, when the array was hybridized with genomic DNA. To evaluate differential gene expression under experimental conditions, S. oneidensis MR-1 cells were exposed to low- or high-pH conditions for 30 and 60 min, and the transcriptional profiles detected by oligonucleotide probes (50-mer, 60-mer, and 70-mer) were closely correlated with those detected by the PCR probes. The results demonstrated that 70-mer oligonucleotides can provide the performance most comparable to the performance obtained with PCR-generated probes. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. Miami Univ, Dept Microbiol, Oxford, OH 45056 USA. RP Zhou, JZ (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM zhouj@ornl.gov RI He, Zhili/C-2879-2012 NR 39 TC 45 Z9 51 U1 1 U2 3 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD SEP PY 2005 VL 71 IS 9 BP 5154 EP 5162 DI 10.1128/AEM.71.9.5154-5162.2005 PG 9 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 964RE UT WOS:000231897400028 PM 16151099 ER PT J AU Barns, SM Grow, CC Okinaka, RT Keim, P Kuske, CR AF Barns, SM Grow, CC Okinaka, RT Keim, P Kuske, CR TI Detection of diverse new Francisella-like bacteria in environmental samples SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID MARTHAS-VINEYARD; MULTIPLE-LOCUS; DNA-SEQUENCES; TULARENSIS; TULAREMIA; PCR; STRAINS; IDENTIFICATION; DISCRIMINATION; VIRULENCE AB Following detection of putative Francisella species in aerosol samples from Houston, Texas, we surveyed soil and water samples from the area for the agent of tularemia, Francisella tularensis, and related species. The initial survey used 16S rRNA gene primers to detect Francisella species and related organisms by PCR amplification of DNA extracts from environmental samples. This analysis indicated that sequences related to Francisella were present in one water and seven soil samples. This is the first report of the detection of Francisella-related species in soil samples by DNA-based methods. Cloning and sequencing of PCR products indicated the presence of a wide variety of Francisella-related species. Sequences from two soil samples were 99.9% similar to previously reported sequences from F. tularensis isolates and may represent new subspecies. Additional analyses with primer sets developed for detection and differentiation of F. tularensis subspecies support the finding of very close relatives to known F. tularensis strains in some samples. While the pathogenicity of these organisms is unknown, they have the potential to be detected in F. tularensis-specific assays. Similarly, a potential new subspecies of Francisella philomiragia was identified. The majority of sequences obtained, while more similar to those of Francisella than to any other genus, were phylogenetically distinct from known species and formed several new clades potentially representing new species or genera. The results of this study revise our understanding of the diversity and distribution of Francisella and have implications for tularemia epidemiology and our ability to detect bioterrorist activities. C1 Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. No Arizona Univ, Dept Biol Sci, Flagstaff, AZ 86011 USA. RP Kuske, CR (reprint author), Los Alamos Natl Lab, Biosci Div, Mail Stop M888, Los Alamos, NM 87545 USA. EM kuske@lanl.gov RI Keim, Paul/A-2269-2010 NR 36 TC 91 Z9 96 U1 1 U2 12 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD SEP PY 2005 VL 71 IS 9 BP 5494 EP 5500 DI 10.1128/AEM.71.9.5494-5500.2005 PG 7 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 964RE UT WOS:000231897400071 PM 16151142 ER PT J AU Reslewic, S Zhou, SG Place, M Zhang, YP Briska, A Goldstein, S Churas, C Runnheim, R Forrest, D Lim, A Lapidus, A Han, CS Roberts, GP Schwartz, DC AF Reslewic, S Zhou, SG Place, M Zhang, YP Briska, A Goldstein, S Churas, C Runnheim, R Forrest, D Lim, A Lapidus, A Han, CS Roberts, GP Schwartz, DC TI Whole-genome shotgun optical mapping of Rhodospirillum rubrum SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID DINITROGENASE REDUCTASE; HYBRIDIZATION; METABOLISM; EVOLUTION; FIXATION; HYDROGEN; CLONES; SYSTEM; CELLS; MAPS AB Rhodospirillum rubrum is a phototrophic purple nonsulfur bacterium known for its unique and well-studied nitrogen fixation and carbon monoxide oxidation systems and as a source of hydrogen and biodegradable plastic production. To better understand this organism and to facilitate assembly of its sequence, three whole-genome restriction endonuclease maps (XbaI, NheI, and HindIII) of R. rubrum strain ATCC 11170 were created by optical mapping. Optical mapping is a system for creating whole-genome ordered restriction endonuclease maps from randomly sheared genomic DNA molecules extracted from cells. During the sequence finishing process, all three optical maps confirmed a putative error in sequence assembly, while the HindIII map acted as a scaffold for high-resolution alignment with sequence contigs spanning the whole genome. In addition to highlighting optical mapping's role in the assembly and confirmation of genome sequence, this work underscores the unique niche in resolution occupied by the optical mapping system. With a resolution ranging from 6.5 kb (previously published) to 45 kb (reported here), optical mapping advances a "molecular cytogenetics" approach to solving problems in genomic analysis. C1 Univ Wisconsin, UW Biotechnol Ctr, Lab Mol & Computat Genom, Madison, WI 53706 USA. Univ Wisconsin, Dept Chem, Madison, WI 53706 USA. Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA. OpGen Inc, Madison, WI 53719 USA. Dept Energy Joint Genome Inst, Walnut Creek, CA 94598 USA. Los Alamos Natl Lab, Ctr Human Genome Studies, Los Alamos, NM 87545 USA. Univ Wisconsin, Genet Lab, Madison, WI 53706 USA. RP Schwartz, DC (reprint author), Univ Wisconsin, UW Biotechnol Ctr, Lab Mol & Computat Genom, 425 Henry Mall, Madison, WI 53706 USA. EM dcschwartz@facstaff.wisc.edu RI Zhou, Shiguo/B-3832-2011; Lapidus, Alla/I-4348-2013 OI Zhou, Shiguo/0000-0001-7421-2506; Lapidus, Alla/0000-0003-0427-8731 FU NHGRI NIH HHS [2R01 HG 000225-10, R01 HG000225]; NIGMS NIH HHS [5T32 GM 08349, GM 65891, R01 GM065891, R56 GM065891, T32 GM008349] NR 31 TC 45 Z9 47 U1 1 U2 11 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD SEP PY 2005 VL 71 IS 9 BP 5511 EP 5522 DI 10.1128/AEM.71.9.5511-5522.2005 PG 12 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 964RE UT WOS:000231897400073 PM 16151144 ER PT J AU Carrado, KA Sandi, G Kizilel, R Seifert, S Castagnola, N AF Carrado, KA Sandi, G Kizilel, R Seifert, S Castagnola, N TI Platinum nanoclusters immobilized on polymer-clay nanocomposite films SO APPLIED CLAY SCIENCE LA English DT Article DE hectorite; platinum; polymer-clay nanocomposite; metal immobilization; small-angle X-ray scattering ID BATTERY APPLICATIONS; CATALYSTS; MONTMORILLONITE; ELECTROCATALYST; SCATTERING; OXIDATION; MINERALS; SUPPORT; SAXS AB A 40-mu m-thick, self-supporting, transparent film was obtained upon slowly evaporating an aqueous mixture of synthetic hectorite, Pt(NH3)(2)CI2, and polyethylene oxide (PEO). The resulting film containing 2.4 wt.% platinum was then reduced under H-2 at 150 degrees C for 2-4 h, turning black upon reduction. XRD shows development of Pt(0) by the appearance of crystalline peaks upon reduction. A lineshape analysis using the Scherrer equation of the (220) peak shows Pt(0) particles from 3.8 mn to 7.5 nm depending upon processing conditions. These values are confirmed by TEM, and a high dispersion of the metal throughout the matrix is evident. XRD and TGA confirm that PEO is stable to the processing conditions. In situ small-angle X-ray scattering measurements of the reduction process were also performed. Under an inert, non-reducing atmosphere, the shape of the scattering curve does not change as the temperature is raised from 30 degrees C to 150 degrees C. Analysis of the scattering curves using the general unified fit (GUF) equation yields one Rg value of 80 angstrom from 30 to 150 degrees C under He, which is assumed to arise from the overall film morphology. Under H2, however, the shape of the scattering curves visually changes between 100 and 120 degrees. Two structural levels are needed to fit these curves at moderate temperatures in the GUF equation, with two subsequent Rg values. One of these Rg values corresponds to the film morphology (Rg = 80-90 angstrom), while the other has an Rg = 18-19 angstrom with a corresponding diameter of 4.8-5.1 nm. This latter Rg is assumed to arise from the reduced Pt(0) nanoparticles that form in situ during reduction. (c) 2005 Elsevier B.V All rights reserved. C1 Argonne Natl Lab, Chem Facil Div, Argonne, IL 60439 USA. IIT, Dept Environm Chem & Engn, Chicago, IL 60616 USA. Argonne Natl Lab, Expt Facil Div, Argonne, IL 60439 USA. RP Carrado, KA (reprint author), Argonne Natl Lab, Chem Facil Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM kcarrado@anl.gov NR 29 TC 7 Z9 9 U1 0 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-1317 J9 APPL CLAY SCI JI Appl. Clay Sci. PD SEP PY 2005 VL 30 IS 2 BP 94 EP 102 DI 10.1016/j.clay.2005.04.002 PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary; Mineralogy SC Chemistry; Materials Science; Mineralogy GA 969EX UT WOS:000232217400004 ER PT J AU Saripalli, KP Meyer, PD Parker, KE Lindberg, MJ AF Saripalli, KP Meyer, PD Parker, KE Lindberg, MJ TI Effect of chemical reactions on the hydrologic properties of fractured and rubbelized glass media SO APPLIED GEOCHEMISTRY LA English DT Article ID POROUS-MEDIA; ROCK FRACTURE; TRANSPORT; DISSOLUTION; PRECIPITATION; SOIL AB Understanding the effect of chemical reactions on the hydrologic properties of geological media, such as porosity, permeability and dispersivity, is critical to many natural and engineered sub-surface systems. Influence of glass corrosion (precipitation and dissolution) reactions on fractured and rubbelized (crushed) forms HAN28 and LAWBP1, two candidate waste glass forms for a proposed immobilized low-activity waste (ILAW) disposal facility at the Hanford, WA site, was investigated. Flow and tracer transport experiments were conducted using fractured and rubbelized forms, before and after subjecting them to corrosion using vapor hydration testing (VHT) at 200 degrees C temperature and 200 psig pressure, causing the precipitation of alteration products. Data were analyzed using analytical expressions and CXT-FIT, a transport parameter optimization code, for the estimation of the hydrologic characteristics before and after VHT. It was found that glass reactions significantly influence the hydrologic properties of ILAW glass media. Hydrologic properties of rubbelized glass decreased due to precipitation reactions, whereas those of fractured glass media increased due to reaction which led to unconfined expansion of fracture aperture. The results are unique and useful to better understand the effect of chemical reactions on the hydrologic properties of fractured and rubbelized stony media in general and glass media in particular. (c) 2005 Elsevier Ltd. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Saripalli, KP (reprint author), Pacific NW Natl Lab, 1318 Sigma V Complex K6-81, Richland, WA 99352 USA. EM prasad.saripalli@pnl.gov NR 32 TC 2 Z9 2 U1 0 U2 0 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0883-2927 J9 APPL GEOCHEM JI Appl. Geochem. PD SEP PY 2005 VL 20 IS 9 BP 1677 EP 1686 DI 10.1016/j.apgeochem.2005.04.001 PG 10 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 967KT UT WOS:000232090800006 ER PT J AU Wall, NA Mathews, SA AF Wall, NA Mathews, SA TI Sustainability of humic acids in the presence of magnesium oxide SO APPLIED GEOCHEMISTRY LA English DT Article ID RADIONUCLIDE MIGRATION; COMPLEXATION BEHAVIOR; IONIC-STRENGTH; FULVIC-ACIDS; SUBSTANCES; AGGREGATION; AM(III); CATIONS AB The Waste Isolation Pilot Plant (WIPP) is a U.S. Department of Energy (DOE) repository for the disposal of transuranic waste generated from the U.S. defense program. Humic acids (HA), known to strongly bind to actinides and which may be generated by the degradation of organic materials present in the waste, may influence the performance of the WIPP. This work presents experimental results on the effect of WIPP brines, ERDA-6 and GWB, and of the WIPP engineered barrier, Premier Chemicals magnesium oxide, on the solubility of HA. In the absence of MgO, a portion of HA initially precipitates, but a constant concentration of HA remains in solution: over a 60 day period of time, at least 290 +/- 10 mg/L HA can remain soluble in de-ionized (DI) water, 30 +/- 4 mg/L in 95% ERDA-6, and 31 +/- 4 mg/L in 95% GWB. For solutions initially containing from 0 to 400 mg/L HA, the ratio of the initial HA concentration and the soluble HA concentration is 1.3 in DI water, 13 in 95% ERDA-6, and 11 in 95% GWB. In the presence of MgO, all HA precipitate within 60 days in systems with a high liquid-to-solid ratio (10.0 g/g) or a low ratio (2.4 g/g). This phenomenon is due to HA precipitation and/or sorption on the surface of MgO. (c) 2005 Elsevier Ltd. All rights reserved. C1 Sandia Natl Labs, Carlsbad, NM 88220 USA. RP Wall, NA (reprint author), Sandia Natl Labs, 4100 Natl Pk Highway, Carlsbad, NM 88220 USA. EM nawall@sandia.gov NR 38 TC 2 Z9 2 U1 1 U2 4 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0883-2927 J9 APPL GEOCHEM JI Appl. Geochem. PD SEP PY 2005 VL 20 IS 9 BP 1704 EP 1713 DI 10.1016/j.apgeochem.2005.04.004 PG 10 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 967KT UT WOS:000232090800008 ER PT J AU Yamamoto, KY Cremers, DA Foster, LE Davies, MP Harris, RD AF Yamamoto, KY Cremers, DA Foster, LE Davies, MP Harris, RD TI Laser-induced breakdown spectroscopy analysis of solids using a long-pulse (150 ns) Q-switched Nd : YAG laser SO APPLIED SPECTROSCOPY LA English DT Article DE laser-induced breakdown spectroscopy; LIBS; laser spark; acousto-optically Q-switched Nd : YAG laser; long pulse laser ID QUANTITATIVE-ANALYSIS; ICP-MS; SURFACE; SPECTROMETRY; EMISSION; ABLATION; LIBS; FEMTOSECOND; PLASMAS; SAMPLES AB Laser-induced breakdown spectroscopy (LIBS) measurements are typically carried out using pulses (< 20 ns, > 50 mJ) from a flash-lamp-pumped electro-optically Q-switched Nd:YAG laser (EO-laser) or excimer laser. Here we report LBIS analyses of solids using an acousto-optically Q-switched Nd:YAG laser (AO-laser) producing 150 ns pulses of lower energy (10 mJ) at repetition rates up to 6 kHz. The high repetition rate allows increased spatial or depth sampling over a given time period compared to the EO-laser. Results of AO-laser based LIBS analysis of (1) steels, (2) soils, and (3) surface stains and dusts are described. Detection limits for Cr, Cu, Mn, Ni, and Si in steel ranged from 0.11 to 0.24% using a commercial polychromator-based detection system with limits 4-30 times lower achieved using a laboratory-based detection system. The minimum detectable masses of Ba, Cr, Mn, and Sr on a metal surface were estimated with 1.2 pg/shot achieved for Sr. Detection limits for Ba and Sr in soil were 296 and 52 ppm, respectively. The temperatures, spectra, and emission decay curves from plasmas generated by the AO- and EO-lasers are compared and some characteristics of particles ablated by the AO-laser are described. C1 Los Alamos Natl Lab, Div Chem, Grp CADI, Los Alamos, NM 87545 USA. Appl Res Associates Inc, Albuquerque, NM 87110 USA. Los Alamos Natl Lab, Div Earth & Environm Sci, Grp EES2, Los Alamos, NM 87545 USA. RP Cremers, DA (reprint author), Los Alamos Natl Lab, Div Chem, Grp CADI, MS J565, Los Alamos, NM 87545 USA. EM dcremers@ara.com NR 38 TC 27 Z9 31 U1 1 U2 15 PU SOC APPLIED SPECTROSCOPY PI FREDERICK PA 201B BROADWAY ST, FREDERICK, MD 21701 USA SN 0003-7028 J9 APPL SPECTROSC JI Appl. Spectrosc. PD SEP PY 2005 VL 59 IS 9 BP 1082 EP 1097 DI 10.1366/0003702055012672 PG 16 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA 964ZN UT WOS:000231919600003 PM 16197630 ER PT J AU Grant, A Wilkinson, TJ Holman, DR Martin, MC AF Grant, A Wilkinson, TJ Holman, DR Martin, MC TI Identification of recently handled materials by analysis of latent human fingerprints using infrared spectromicroscopy SO APPLIED SPECTROSCOPY LA English DT Article DE infrared spectromicroscopy; attenuated total reflectance; ATR; fingerprints; forensics; synchrotron; spectral identification ID MICROSPECTROSCOPY; SYNCHROTRON; CHILDREN AB Analysis of fingerprints has predominantly focused on matching the pattern of ridges to a specific person as a form of identification. The present work focuses on identifying extrinsic materials that are left within a person's fingerprint after recent handling of such materials. Specifically, we employed infrared spectromicroscopy to locate and positively identify microscopic particles from a mixture of common materials in the latent human fingerprints of volunteer subjects. We were able to find and correctly identify all test substances based on their unique infrared spectral signatures. Spectral imaging is demonstrated as a method for automating recognition of specific substances in a fingerprint. We also demonstrate the use of attenuated total reflectance (ATR) and synchrotron-based infrared spectromicroscopy for obtaining high-quality spectra from particles that were too thick or too small, respectively, for reflection/absorption measurements. We believe the application of this rapid, nondestructive analytical technique to the forensic study of latent human fingerprints has the potential to add a new layer of information available to investigators. Using fingerprints to not only identify who was present at a crime scene, but also to link who was handling key materials, will be a powerful investigative tool. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source Div, Berkeley, CA 94720 USA. RP Martin, MC (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM MCMartin@lbl.gov NR 14 TC 31 Z9 31 U1 2 U2 18 PU SOC APPLIED SPECTROSCOPY PI FREDERICK PA 201B BROADWAY ST, FREDERICK, MD 21701 USA SN 0003-7028 J9 APPL SPECTROSC JI Appl. Spectrosc. PD SEP PY 2005 VL 59 IS 9 BP 1182 EP 1187 DI 10.1366/0003702055012618 PG 6 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA 964ZN UT WOS:000231919600016 PM 16197643 ER PT J AU Zogg, R Roth, K Brodrick, J AF Zogg, R Roth, K Brodrick, J TI Using CHP systems in commercial buildings SO ASHRAE JOURNAL LA English DT Article C1 TIAX, HVAC & Refrigerat Technol Sector, Cambridge, MA USA. US DOE, Bldg Technol Program, Washington, DC USA. RP Zogg, R (reprint author), TIAX, HVAC & Refrigerat Technol Sector, Cambridge, MA USA. NR 6 TC 21 Z9 21 U1 1 U2 3 PU AMER SOC HEATING REFRIGERATING AIR-CONDITIONING ENG, INC, PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2491 J9 ASHRAE J JI ASHRAE J. PD SEP PY 2005 VL 47 IS 9 BP 33 EP + PG 3 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 965BM UT WOS:000231924800017 ER PT J AU Croft, S Kurk, J van Breugel, W Stanford, SA de Vries, W Pentericci, L Rottgering, H AF Croft, S Kurk, J van Breugel, W Stanford, SA de Vries, W Pentericci, L Rottgering, H TI The filamentary large-scale structure around the z=2.16 radio galaxy PKS 1138-262 SO ASTRONOMICAL JOURNAL LA English DT Article DE galaxies : active; galaxies : high-redshift; galaxies : individual ( PKS 1138-262) ID H-ALPHA EMITTERS; X-RAY SOURCES; HIGH-REDSHIFT; PROTO-CLUSTER; CHANDRA; SPECTROSCOPY; SEARCH; FIELD AB PKS 1138-262 is a massive radio galaxy at z = 2.16 surrounded by overdensities of Ly alpha emitters, H alpha emitters, extremely red objects, and X-ray emitters. Numerous lines of evidence exist that it is located in a forming cluster. We report on Keck spectroscopy of candidate members of this protocluster, including nine of the 18 X-ray sources detected by Pentericci and coworkers in this field. Two of these X-ray sources ( not counting PKS 1138-262 itself) were previously confirmed to be members of the protocluster; we have discovered that an additional two ( both active galactic nuclei [AGNs]) are members of a filamentary structure at least 3.5 Mpc in projection aligned with the radio jet axis, the 150 kpc-sized emission-line halo, and the extended X-ray emission around the radio galaxy. Three of the nine X-ray sources observed are lower redshift AGNs, and three are M dwarf stars. C1 Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. Osserv Astrofis Arcetri, INAF, I-50125 Florence, Italy. Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Univ Rome, Dipartimento Fis, Rome, Italy. Leiden Observ, NL-2333 CA Leiden, Netherlands. RP Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, L-413,7000 E Ave, Livermore, CA 94550 USA. OI Croft, Steve/0000-0003-4823-129X NR 29 TC 31 Z9 31 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-6256 EI 1538-3881 J9 ASTRON J JI Astron. J. PD SEP PY 2005 VL 130 IS 3 BP 867 EP 872 DI 10.1086/431956 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 958LX UT WOS:000231450900001 ER PT J AU Jester, S Schneider, DP Richards, GT Green, RF Schmidt, M Hall, PB Strauss, MA Vanden Berk, DE Stoughton, C Gunn, JE Brinkmann, J Kent, SM Smith, JA Tucker, DL Yanny, B AF Jester, S Schneider, DP Richards, GT Green, RF Schmidt, M Hall, PB Strauss, MA Vanden Berk, DE Stoughton, C Gunn, JE Brinkmann, J Kent, SM Smith, JA Tucker, DL Yanny, B TI The Sloan Digital Sky Survey view of the Palomar-Green Bright Quasar Survey SO ASTRONOMICAL JOURNAL LA English DT Article DE catalogs; galaxies : active; quasars : emission lines; quasars : general; surveys ID SPECTROSCOPIC TARGET SELECTION; OPTICALLY SELECTED QUASARS; SURVEY PHOTOMETRIC SYSTEM; ACTIVE GALACTIC NUCLEI; RADIO-QUIET QUASARS; 1ST DATA RELEASE; LUMINOSITY FUNCTION; ENERGY-DISTRIBUTIONS; STELLAR OBJECTS; REDSHIFT SURVEY AB We investigate the extent to which the Palomar-Green ( PG) Bright Quasar Survey (BQS) is complete and representative of the general quasar population by comparing it with imaging and spectroscopy from the Sloan Digital Sky Survey (SDSS). A comparison of SDSS and PG photometry of both stars and quasars reveals the need to apply a color and magnitude recalibration to the PG data. Using the SDSS photometric catalog, we define the PG's parent sample of objects that are not main-sequence stars and simulate the selection of objects from this parent sample using the PG photometric criteria and errors. This simulation shows that the effective U-B cut in the PG survey is U - B < -0.71, implying a color-related incompleteness. As the color distribution of bright quasars peaks near U - B -0.7 and the 2 sigma error in U - B is comparable to the full width of the color distribution of quasars, the color incompleteness of the BQS is approximately 50% and essentially random with respect to U - B color for z < 0.5. There is, however, a bias against bright quasars at 0.5 < z < 1, which is induced by the color-redshift relation of quasars ( although quasars at z > 0: 5 are inherently rare in bright surveys in any case). We find no evidence for any other systematic incompleteness when comparing the distributions in color, redshift, and FIRST radio properties of the BQS and a BQS-like subsample of the SDSS quasar sample. However, the application of a bright magnitude limit biases the BQS toward the inclusion of objects that are blue in g - i, in particular compared to the full range of g - i colors found among the i-band limited SDSS quasars, and even at i-band magnitudes comparable to those of the BQS objects. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60610 USA. Penn State Univ, Dept Astron & Astrophys, Davey Lab 525, University Pk, PA 16802 USA. Princeton Univ Observ, Princeton, NJ 08544 USA. Kitt Peak Natl Observ, Natl Opt Astron Observ, Tucson, AZ 85726 USA. CALTECH, Dept Astron, Pasadena, CA 91125 USA. York Univ, Dept Phys & Astron, N York, ON M3J 1P3, Canada. Apache Point Observ, Sunspot, NM 88349 USA. Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. Univ Wyoming, Dept Phys & Astron, Laramie, WY 82071 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Fermilab Natl Accelerator Lab, Mail Stop 127,POB 500, Batavia, IL 60610 USA. EM jester@fnal.gov; dps@astro.psu.edu; gtr@astro.princeton.edu; green@noao.edu; mxs@astro.caltech.edu; phall@yorku.ca; strauss@astro.princeton.edu; danvb@astro.psu.edu; stoughto@fnal.gov; jeg@astro.princeton.edu; jb@apo.nmsu.edu; skent@fnal.gov; jasman@nis.lanl.gov; dtucker@fnal.gov; yanny@fnal.gov OI Tucker, Douglas/0000-0001-7211-5729 NR 70 TC 313 Z9 314 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-6256 EI 1538-3881 J9 ASTRON J JI Astron. J. PD SEP PY 2005 VL 130 IS 3 BP 873 EP 895 DI 10.1086/432466 PG 23 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 958LX UT WOS:000231450900002 ER PT J AU Miller, CJ Nichol, RC Reichart, D Wechsler, RH Evrard, AE Annis, J McKay, TA Bahcall, NA Bernardi, M Boehringer, H Connolly, AJ Goto, T Kniazev, A Lamb, D Postman, M Schneider, DP Sheth, RK Voges, W AF Miller, CJ Nichol, RC Reichart, D Wechsler, RH Evrard, AE Annis, J McKay, TA Bahcall, NA Bernardi, M Boehringer, H Connolly, AJ Goto, T Kniazev, A Lamb, D Postman, M Schneider, DP Sheth, RK Voges, W TI The C4 clustering algorithm: clusters of galaxies in the Sloan Digital Sky Survey SO ASTRONOMICAL JOURNAL LA English DT Review DE catalogs; galaxies : clusters : general ID COLOR-MAGNITUDE RELATION; LARGE-SCALE STRUCTURE; FALSE-DISCOVERY RATE; SPECTROSCOPIC TARGET SELECTION; BRIGHT SHARC SURVEY; DARK-MATTER HALOES; EARLY DATA RELEASE; X-RAY SOURCES; REDSHIFT SURVEYS; ABELL CLUSTERS AB We present the C4 Cluster Catalog, a new sample of 748 clusters of galaxies identified in the spectroscopic sample of the Second Data Release (DR2) of the Sloan Digital Sky Survey (SDSS). The C4 cluster-finding algorithm identifies clusters as overdensities in a seven-dimensional position and color space, thus minimizing projection effects that have plagued previous optical cluster selection. The present C4 catalog covers similar to 2600 deg(2) of sky and ranges in redshift from z = 0: 02 to 0.17. The mean cluster membership is 36 galaxies (with measured redshifts) brighter than r = 17: 7, but the catalog includes a range of systems, from groups containing 10 members to massive clusters with over 200 cluster members with measured redshifts. The catalog provides a large number of measured cluster properties including sky location, mean redshift, galaxy membership, summed r-band optical luminosity (L-r), and velocity dispersion, as well as quantitative measures of substructure and the surrounding large-scale environment. We use new, multicolor mock SDSS galaxy catalogs, empirically constructed from the Lambda CDM Hubble Volume (HV) Sky Survey output, to investigate the sensitivity of the C4 catalog to the various algorithm parameters ( detection threshold, choice of passbands, and search aperture), as well as to quantify the purity and completeness of the C4 cluster catalog. These mock catalogs indicate that the C4 catalog is similar or equal to 90% complete and 95% pure above M-200 = 1 x 10(14) h(-1) M circle dot and within 0.03 <= z <= 0.12. Using the SDSS DR2 data, we show that the C4 algorithm finds 98% of X-ray-identified clusters and 90% of Abell clusters within 0.03 <= z <= 0.12. Using the mock galaxy catalogs and the full HV dark matter simulations, we show that the L-r of a cluster is a more robust estimator of the halo mass ( M200) than the galaxy line-of-sight velocity dispersion or the richness of the cluster. However, if we exclude clusters embedded in complex large-scale environments, we find that the velocity dispersion of the remaining clusters is as good an estimator of M-200 as Lr. The final C4 catalog will contain similar or equal to 2500 clusters using the full SDSS data set and will represent one of the largest and most homogeneous samples of local clusters. C1 Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 2EG, Hants, England. Univ N Carolina, Dept Phys & Astron, Chapel Hill, NC 27599 USA. Univ Chicago, Ctr Cosmol Phys, Dept Astron & Astrophys, Chicago, IL 60637 USA. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. Univ Michigan, Dept Astron, Ann Arbor, MI 48109 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Princeton Univ Observ, Princeton, NJ 08544 USA. Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. Univ Tokyo, Inst Cosm Ray Res, Kashiwa, Chiba 2770882, Japan. Special Astrophys Observ, Nizhnii Arkhyz 369167, Karachai Circas, Russia. Max Planck Inst Astrophys, D-69117 Heidelberg, Germany. Isaac Newton Inst Chile, SAO Branch, Santiago, Chile. Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. Space Telescope Sci Inst, Baltimore, MD 21218 USA. Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. RP NOAO Cerro Tololo Interamer Observ, 950 N Cherry Ave, Tucson, AZ 85719 USA. RI McKay, Timothy/C-1501-2009; OI McKay, Timothy/0000-0001-9036-6150; Evrard, August/0000-0002-4876-956X; Wechsler, Risa/0000-0003-2229-011X NR 110 TC 205 Z9 205 U1 2 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-6256 EI 1538-3881 J9 ASTRON J JI Astron. J. PD SEP PY 2005 VL 130 IS 3 BP 968 EP 1001 DI 10.1086/431357 PG 34 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 958LX UT WOS:000231450900008 ER PT J AU Bertone, G Binetruy, P Mambrini, Y Nezri, E AF Bertone, G Binetruy, P Mambrini, Y Nezri, E TI Annihilation radiation of dark matter in heterotic orbifold models SO ASTROPARTICLE PHYSICS LA English DT Article DE supersymmetric models; neutralino dark matter; gamma indirect detection ID SOFT SUPERSYMMETRY BREAKING; SURFACE BRIGHTNESS GALAXIES; GALACTIC-CENTER; LIGHTEST NEUTRALINO; E(+)E(-) COLLISIONS; MILKY-WAY; ROOT-S; GAUGINO; SUPERGRAVITY; CONDENSATION AB We investigate the prospects for indirect detection of neutralino dark matter in the context of effective supergravity theories derived from the heterotic superstring. These models provide a consistent framework linking fundamental high-energy theory with low energy physics, and a phenomenology in the gaugino and scalar sector, which is considerably different from the commonly discussed case of minimal Supergravity. We show that astrophysical observations, in particular with gamma-ray experiments like GLAST and HESS, will provide significant constraints on combinations of astrophysical and particle physics parameters, and interesting clues on the SUSY breaking mechanism. (c) 2005 Elsevier B.V. All rights reserved. C1 Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. Univ Paris 11, Lab Phys Theor Hautes Energies, F-91405 Orsay, France. Univ Paris 07, APC, Coll France, F-75231 Paris, France. Univ Autonoma Madrid, Dept Fis Teor 111, E-28049 Madrid, Spain. Univ Autonoma Madrid, Inst Fis Teor 116, E-28049 Madrid, Spain. RP Nezri, E (reprint author), Free Univ Brussels, Serv Phys Theor Phys, 808 Route Lennik, B-1050 Brussels, Belgium. EM nezri@in2p3.fr NR 61 TC 4 Z9 4 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-6505 J9 ASTROPART PHYS JI Astropart Phys. PD SEP PY 2005 VL 24 IS 1-2 BP 44 EP 64 DI 10.1016/j.astropartphys.2005.05.005 PG 21 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 967KN UT WOS:000232090200004 ER PT J AU Zehavi, I Zheng, Z Weinberg, DH Frieman, JA Berlind, AA Blanton, MR Scoccimarro, R Sheth, RK Strauss, MA Kayo, I Suto, Y Fukugita, M Nakamura, O Bahcall, NA Brinkmann, J Gunn, JE Hennessy, GS Ivezic, E Knapp, GR Loveday, J Meiksin, A Schlegel, DJ Schneider, DP Szapudi, I Tegmark, M Vogeley, MS York, DG AF Zehavi, I Zheng, Z Weinberg, DH Frieman, JA Berlind, AA Blanton, MR Scoccimarro, R Sheth, RK Strauss, MA Kayo, I Suto, Y Fukugita, M Nakamura, O Bahcall, NA Brinkmann, J Gunn, JE Hennessy, GS Ivezic, E Knapp, GR Loveday, J Meiksin, A Schlegel, DJ Schneider, DP Szapudi, I Tegmark, M Vogeley, MS York, DG CA SDSS Collaboration TI The luminosity and color dependence of the galaxy correlation function SO ASTROPHYSICAL JOURNAL LA English DT Review DE cosmology : observations; cosmology : theory; galaxies : distances and redshifts; galaxies : halos; galaxies : statistics; large-scale structure of universe ID DIGITAL SKY SURVEY; DARK-MATTER HALOES; SPECTROSCOPIC TARGET SELECTION; 3-POINT CORRELATION-FUNCTION; LARGE-SCALE BIAS; SPATIAL CORRELATION-FUNCTION; MORPHOLOGY-DENSITY RELATION; EARLY DATA RELEASE; REDSHIFT SURVEY; OCCUPATION DISTRIBUTION AB We study the luminosity and color dependence of the galaxy two- point correlation function in the Sloan Digital Sky Survey, starting from a sample of similar to 200,000 galaxies over 2500 deg(2). We concentrate our analysis on volume- limited subsamples of specified luminosity ranges, for which we measure the projected correlation function w(p)( r(p)), which is directly related to the real- space correlation function xi( r). The amplitude of wp( rp) rises continuously with luminosity from M-r approximate to 17.5 to M-r approximate to 22. 5, with the most rapid increase occurring above the characteristic luminosity L-* ( M-r approximate to 20: 5). Over the scales 0: 1 h (-1) Mpc < r(p) < 10 h (-1) Mpc, the measurements for samples with M-r > 22 can be approximated, imperfectly, by power- law three- dimensional correlation functions xi( r) ( r/r(0))(-gamma) with gamma approximate to 1: 8 and r(0)( L-*) approximate to 5: 0 h (-1) Mpc. The brightest subsample, - 23 < M-r < - 22, has a significantly steeper xi( r). When we divide samples by color, redder galaxies exhibit a higher amplitude and steeper correlation function at all luminosities. The correlation amplitude of blue galaxies increases continuously with luminosity, but the luminosity dependence for red galaxies is less regular, with bright red galaxies exhibiting the strongest clustering at large scales and faint red galaxies exhibiting the strongest clustering at small scales. We interpret these results using halo occupation distribution ( HOD) models assuming concordance cosmological parameters. For most samples, an HOD model with two adjustable parameters fits the wp( rp) data better than a power law, explaining inflections at r(p) similar to 1 -3 h (-1) Mpc as the transition between the one- halo and two- halo regimes of xi( r). The implied minimum mass for a halo hosting a central galaxy more luminous than L grows steadily, with M-min proportional to L at low luminosities and a steeper dependence above L-*. The mass at which a halo has, on average, one satellite galaxy brighter than L is M-1 approximate to 23M(min)( L), at all luminosities. These results imply a conditional luminosity function ( at fixed halo mass) in which central galaxies lie far above a Schechter function extrapolation of the satellite population. The HOD model fits nicely explain the color dependence of wp( rp) and the cross correlation between red and blue galaxies. For galaxies with Mr < -21, halos slightly above M-min have blue central galaxies, while more massive halos have red central galaxies and predominantly red satellite populations. The fraction of blue central galaxies increases steadily with decreasing luminosity and host halo mass. The strong clustering of faint red galaxies follows from the fact that nearly all of them are satellite systems in high- mass halos. The HOD fitting results are in good qualitative agreement with the predictions of numerical and semianalytic models of galaxy formation. C1 Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. Inst Adv Study, Sch Nat Sci, Princeton, NJ 08540 USA. Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. NYU, Dept Phys, New York, NY 10003 USA. Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. Univ Tokyo, Dept Phys, Tokyo 1130033, Japan. Nagoya Univ, Dept Phys & Astrophys, Nagoya, Aichi 4648602, Japan. Univ Tokyo, Inst Cosm Ray Res, Kashiwa, Chiba 2778582, Japan. Univ Nottingham, Sch Phys & Astron, Nottingham NG7 2RD, England. Apache Point Observ, Sunspot, NM 88349 USA. USN Observ, Washington, DC 20392 USA. Univ Washington, Dept Astron, Seattle, WA 98195 USA. Univ Sussex, Sussex Astron Ctr, Brighton BN1 9QJ, E Sussex, England. Univ Edinburgh, Astron Inst, Edinburgh EH9 3HJ, Midlothian, Scotland. Penn State Univ, Dept Astron & Astrophys, Davey Lab 525, University Pk, PA 16802 USA. Univ Hawaii, Inst Astron, Honolulu, HI 96822 USA. Univ Penn, Dept Phys, Philadelphia, PA 19104 USA. Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA. RP Univ Arizona, Steward Observ, 933 N Cherry Ave, Tucson, AZ 85721 USA. RI Kayo, Issha/A-4389-2011; OI Meiksin, Avery/0000-0002-5451-9057 NR 142 TC 474 Z9 476 U1 0 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD SEP 1 PY 2005 VL 630 IS 1 BP 1 EP 27 DI 10.1086/431891 PN 1 PG 27 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 958JD UT WOS:000231439700001 ER PT J AU Dearborn, DSP Wilson, JR Mathews, GJ AF Dearborn, DSP Wilson, JR Mathews, GJ TI Relativistically compressed exploding white dwarf model for sagittarius a east SO ASTROPHYSICAL JOURNAL LA English DT Article DE ISM : individual ( Sagittarius A East); methods : numerical; supernovae : general ID OF-STATE TABLES; IA SUPERNOVAE; STARS; HYDRODYNAMICS; ENERGY AB Recently, a new mechanism for Type I supernovae has been proposed whereby relativistic terms enhance the self-gravity of a carbon-oxygen white dwarf as it passes near a black hole. It was suggested that this relativistic compression can cause the central density to exceed the threshold for pycnonuclear reactions so that a thermonuclear runaway ensues. Here, we present numerical studies of such relativistically induced explosions of white dwarfs and red giant cores of various mass ( particularly a typical 0.6 M-circle dot white dwarf) as they pass near a 3: 7; 106 M-circle dot black hole like Sgr A* in the Galactic center. We confirm by hydrodynamic thermonuclear burn simulations in three spatial dimensions that white dwarfs and red giant cores do indeed ignite and explode. In fact, they seem to explode even farther from the black hole than earlier estimates due to increased internal temperatures from adiabatic heating as the stars are compressed. We find that the compression is sufficiently fast that young white dwarfs can even be heated to thermonuclear rather than pycnonuclear ignition. We propose that such an event might explain the observed "mixed-morphology'' Sgr A East supernova remnant in the Galactic center. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Notre Dame, Dept Phys, Ctr Astrophys, Notre Dame, IN 46556 USA. RP Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 28 TC 16 Z9 16 U1 3 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD SEP 1 PY 2005 VL 630 IS 1 BP 309 EP 320 DI 10.1086/431200 PN 1 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 958JD UT WOS:000231439700024 ER PT J AU Gonzalez, ME Kaspi, VM Camilo, F Gaensler, BM Pivovaroff, MJ AF Gonzalez, ME Kaspi, VM Camilo, F Gaensler, BM Pivovaroff, MJ TI Unusual pulsed X-ray emission from the young, high magnetic field pulsar PSR J1119-6127 SO ASTROPHYSICAL JOURNAL LA English DT Article DE ISM : individual (G292.2-0.5); pulsars : individual (PSR J1119-6127); supernova remnants; X-rays : ISM ID SUPERNOVA REMNANT G292.2-0.5; SOFT GAMMA-REPEATERS; NEUTRON-STARS; RADIO PULSARS; CONSTRAINTS; J1119-6127; MODELS; SPECTROSCOPY; SURFACE; OBJECT AB We present XMM-Newton observations of the radio pulsar PSR J1119-6127, which has an inferred age of 1700 yr and surface dipole magnetic field strength of 4: 1; 1013 G. We report the first detection of pulsed X-ray emission from PSR J1119-6127. In the 0.5-2.0 keV range, the pulse profile shows a narrow peak with a very high pulsed fraction of 74% +/- 14%. In the 2.0-10.0 keV range, the upper limit for the pulsed fraction is 28% (99% confidence). The pulsed emission is well described by a thermal blackbody model with a temperature of T-infinity = 2.4(-0.2)(+0.3) x 10(6) K and emitting radius of 3.4(-0.3)(+1.8) km (at a distance of 8.4 kpc). Atmospheric models result in problematic estimates for the distance/emitting area. PSR J1119-6127 is now the radio pulsar with smallest characteristic age from which thermal X- ray emission has been detected. The combined temporal and spectral characteristics of this emission are unlike those of other radio pulsars detected at X- ray energies and challenge current models of thermal emission from neutron stars. C1 McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA. Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP McGill Univ, Dept Phys, Rutherford Phys Bldg, Montreal, PQ H3A 2T8, Canada. RI Gaensler, Bryan/F-8655-2010; Pivovaroff, Michael/M-7998-2014; OI Pivovaroff, Michael/0000-0001-6780-6816; Gaensler, Bryan/0000-0002-3382-9558 NR 40 TC 45 Z9 45 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD SEP 1 PY 2005 VL 630 IS 1 BP 489 EP 494 DI 10.1086/432032 PN 1 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 958JD UT WOS:000231439700037 ER PT J AU Liebert, J Young, PA Arnett, D Holberg, JB Williams, KA AF Liebert, J Young, PA Arnett, D Holberg, JB Williams, KA TI The age and progenitor mass of Sirius B SO ASTROPHYSICAL JOURNAL LA English DT Article DE stars : atmospheres; stars : fundamental parameters; white dwarfs ID PREDICTIVE STELLAR EVOLUTION; DWARF COOLING SEQUENCE; WHITE-DWARFS; OBSERVATIONAL TESTS; STARS; SUPERCLUSTER; CONSTRAINTS; ABUNDANCE; CLUSTERS; MATTER AB The Sirius AB binary system has masses that are well determined from many decades of astrometric measurements. Because of the well-measured radius and luminosity of Sirius A, we employed the TYCHO stellar evolution code to determine the age of the Sirius AB binary system accurately, at 225-250 Myr. Note that this fit requires the assumption of solar abundance and the use of the new Asplund et al. primordial solar metallicity. No fit to Sirius A's position is possible using the old Grevesse & Sauval scale. Because the Sirius B white dwarf parameters have also been determined accurately from space observations, the cooling age could be determined from recent calculations by Fontaine et al. or Wood to be Myr. The difference in the two ages yields 124 +/- 10 the nuclear lifetime and mass of the original primary star, M circle dot. This result yields, in principle, the 5.056(-0.276)(+0.374) most accurate data point at relatively high masses for the initial-to-final mass relation. However, the analysis relies on the assumption that the primordial abundance of the Sirius stars was solar, based on membership in the Sirius supercluster. A recent study suggests that its membership in the group is by no means certain. C1 Univ Arizona, Dept Astron, Tucson, AZ 85721 USA. Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Arizona, Lunar & Planetary Lab, Tucson, AZ 85721 USA. RP Liebert, J (reprint author), Univ Arizona, Dept Astron, Tucson, AZ 85721 USA. EM liebert@as.arizona.edu; payoung@lanl.gov; darnett@as.arizona.edu; holberg@argus.lpl.arizona.edu; kwilliams@as.arizona.edu OI Williams, Kurtis/0000-0002-1413-7679 NR 37 TC 42 Z9 42 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 SEP 1 PY 2005 VL 630 IS 1 BP L69 EP L72 DI 10.1086/462419 PN 2 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 958JG UT WOS:000231440000018 ER PT J AU Zhang, S Qu, JL Song, LM Torres, DF AF Zhang, S Qu, JL Song, LM Torres, DF TI Recovery of the orbital parameters and pulse evolution of V0332+53 during a huge outburst SO ASTROPHYSICAL JOURNAL LA English DT Article DE stars : individual (V0332+53); X-rays : binaries ID QUASI-PERIODIC OSCILLATIONS; RAY TRANSIENT V0332+53; APSIDAL-MOTION; DISCOVERY; V0332&53; STARS; LUMINOSITY; ACCRETION; X0331+53 AB The high- mass X-ray binary V0332+53 became active at the end of 2004, and the outburst was observed in hard X-rays by RXTE and INTEGRAL. Based on these hard X-ray observations, we measure the orbital parameters by fitting the Doppler-shifted spin periods. The derived orbital period and eccentricity are consistent with those obtained by Stella et al. from EXOSAT observations, whereas the projected semimajor axis and the periastron longitude are found to have changed from 48 +/- 4 to 86(-10)(+6) lt-s and from 313 degrees +/- 10 to 283 degrees +/- 14 degrees, respectively. This would indicate an angular speed of =1 degrees.5 +/- 0 degrees.8 yr(-1) for the rotation of the orbit over the past 21 years. The periastron passage time of MJD 53,367 +/- 1 is just around the time when the intensity reached maximum, and an orbital period earlier is the time when the outburst started. This correlation resembles the behavior of a type I outburst. During outburst, the source spun up at a rate of 8.01(-1.14)(+1.00) s day(-1). The evolution of the pulse profile is highly intensity dependent. The separation of double pulses remained almost constant (similar to 0.47) when the source was bright and dropped to 0.37 within 3 days as the source became weaker. The pulse evolution of V0332+53 may be correlated with a change in dominance of the emission between fan-beam and pencil-beam mechanisms. C1 Inst High Energy Phys, Lab Particle Astrophys, Beijing 100049, Peoples R China. Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. RP Zhang, S (reprint author), Inst High Energy Phys, Lab Particle Astrophys, 19 Yuquan Rd, Beijing 100049, Peoples R China. EM szhang@mail.ihep.ac.cn RI Torres, Diego/O-9422-2016 OI Torres, Diego/0000-0002-1522-9065 NR 26 TC 9 Z9 9 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 SEP 1 PY 2005 VL 630 IS 1 BP L65 EP L68 DI 10.1086/462415 PN 2 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 958JG UT WOS:000231440000017 ER PT J AU O'Shea, BW Nagamine, K Springel, V Hernquist, L Norman, ML AF O'Shea, BW Nagamine, K Springel, V Hernquist, L Norman, ML TI Comparing AMR and SPH cosmological simulations. I. Dark matter and adiabatic simulations SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE cosmology : theory; galaxies : formation; methods : numerical ID SMOOTHED PARTICLE HYDRODYNAMICS; N-BODY SIMULATIONS; RADIATION MAGNETOHYDRODYNAMICS CODE; ADAPTIVE MESH REFINEMENT; 2 SPACE DIMENSIONS; NUMERICAL TECHNIQUES; ASTROPHYSICAL FLOWS; GRAVITY SOLVER; TESTS; ALGORITHMS AB We compare two cosmological hydrodynamic simulation codes in the context of hierarchical galaxy formation: the Lagrangian smoothed particle hydrodynamics (SPH) code GADGET, and the Eulerian adaptive mesh refinement (AMR) code Enzo. Both codes represent dark matter with the N-body method but use different gravity solvers and fundamentally different approaches for baryonic hydrodynamics. The SPH method in GADGET uses a recently developed "entropy conserving'' formulation of SPH, while for the mesh-based Enzo two different formulations of Eulerian hydrodynamics are employed: the piecewise parabolic method (PPM) extended with a dual energy formulation for cosmology, and the artificial viscosity-based scheme used in the magnetohydrodynamics code ZEUS. In this paper we focus on a comparison of cosmological simulations that follow either only dark matter, or also a nonradiative ("adiabatic'') hydrodynamic gaseous component. We perform multiple simulations using both codes with varying spatial and mass resolution with identical initial conditions. The dark matter-only runs agree generally quite well provided Enzo is run with a comparatively fine root grid and a low overdensity threshold for mesh refinement, otherwise the abundance of low-mass halos is suppressed. This can be readily understood as a consequence of the hierarchical particle-mesh algorithm used by Enzo to compute gravitational forces, which tends to deliver lower force resolution than the tree-algorithm of GADGET at early times before any adaptive mesh refinement takes place. At comparable force resolution we find that the latter offers substantially better performance and lower memory consumption than the present gravity solver in Enzo. In simulations that include adiabatic gasdynamics we find general agreement in the distribution functions of temperature, entropy, and density for gas of moderate to high overdensity, as found inside dark matter halos. However, there are also some significant differences in the same quantities for gas of lower overdensity. For example, at z = 3 the fraction of cosmic gas that has temperature log T > 0: 5 is similar to 80% for both Enzo ZEUS and GADGET, while it is 40% - 60% for Enzo PPM. We argue that these discrepancies are due to differences in the shock-capturing abilities of the different methods. In particular, we find that the ZEUS implementation of artificial viscosity in Enzo leads to some unphysical heating at early times in preshock regions. While this is apparently a significantly weaker effect in GADGET, its use of an artificial viscosity technique may also make it prone to some excess generation of entropy that should be absent in Enzo PPM. Overall, the hydrodynamical results for GADGET are bracketed by those for Enzo ZEUS and Enzo PPM but are closer to Enzo ZEUS. C1 Univ Calif San Diego, Ctr Astrophys & Space Sci, La Jolla, CA 92093 USA. Los Alamos Natl Lab, Los Alamos, NM 87544 USA. Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. Max Planck Inst Astrophys, D-85740 Garching, Germany. RP O'Shea, BW (reprint author), Univ Calif San Diego, Ctr Astrophys & Space Sci, La Jolla, CA 92093 USA. EM bwoshea@cosmos.ucsd.edu; knagamin@cfa.harvard.edu; volker@mpa-garching.mpg.de; lars@cfa.harvard.edu; mnorman@cosmos.ucsd.edu NR 49 TC 127 Z9 128 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0067-0049 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD SEP PY 2005 VL 160 IS 1 BP 1 EP 27 DI 10.1086/432645 PG 27 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 958LY UT WOS:000231451000001 ER PT J AU Heitmann, K Ricker, PM Warren, MS Habib, S AF Heitmann, K Ricker, PM Warren, MS Habib, S TI Robustness of cosmological simulations. I. Large-scale structure SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE large-scale structure of universe; methods : n-body simulations ID N-BODY SIMULATIONS; COSMIC VIRIAL THEOREM; COLD DARK-MATTER; NUMERICAL TECHNIQUES; POWER SPECTRUM; GRAVITY SOLVER; UNIVERSE; CODE; HYDRODYNAMICS; EVOLUTION AB The gravitationally driven evolution of cold dark matter dominates the formation of structure in the universe over a wide range of length scales. While the longest scales can be treated by perturbation theory, a fully quantitative understanding of nonlinear effects requires the application of large-scale particle simulation methods. Additionally, precision predictions for next-generation observatio-ns, such as weak gravitational lensing, can only be obtained from numerical simulations. In this paper, we compare results from several N-body codes using test problems and a diverse set of diagnostics, focusing on a medium-resolution regime appropriate for studying many observationally relevant aspects of structure formation. Our conclusions are that - despite the use of different algorithms and error-control methodologies - overall, the codes yield consistent results. The agreement over a wide range of scales for the cosmological tests is test-dependent. In the best cases, it is at the 5% level or better, however, for other cases it can be significantly larger than 10%. These include the halo mass function at low masses and the mass power spectrum at small scales. While there exist explanations for most of the discrepancies, our results point to the need for significant improvement in N-body errors and their understanding to match the precision of near-future observations. The simulation results, including halo catalogs, and initial conditions used, are publicly available. C1 Los Alamos Natl Lab, ISR Div, ISR 1, Los Alamos, NM 87545 USA. Univ Illinois, Dept Astron, Urbana, IL 61801 USA. Univ Illinois, Natl Ctr Supercomp Applicat, Urbana, IL 61801 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Heitmann, K (reprint author), Los Alamos Natl Lab, ISR Div, ISR 1, POB 1663, Los Alamos, NM 87545 USA. OI Warren, Michael/0000-0002-1218-7904; Ricker, Paul/0000-0002-5294-0630 NR 61 TC 96 Z9 96 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0067-0049 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD SEP PY 2005 VL 160 IS 1 BP 28 EP 58 DI 10.1086/432646 PG 31 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 958LY UT WOS:000231451000002 ER PT J AU Gabriel, MC Williamson, DG Brooks, S Lindberg, S AF Gabriel, MC Williamson, DG Brooks, S Lindberg, S TI Atmospheric speciation of Southeastern mercury in two contrasting US airsheds SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE meteorology; landuse; gaseous elemental mercury; reactive gaseous mercury; fine particulate mercury ID TOTAL GASEOUS MERCURY; TEMPORAL DISTRIBUTION CHARACTERISTICS; SPRINGTIME DEPLETION; AIR/SURFACE EXCHANGE; PARTICULATE MERCURY; ATLANTIC-OCEAN; EMISSIONS; CHINA; SOILS; VAPOR AB Simultaneous measurement of gaseous elemental, reactive gaseous, and fine particulate mercury took place in Tuscaloosa AL, (urban airshed) and Cove Mountain, TN (non-urban airshed) during the summers of 2002 and 2003. The objective of this research was to (1) summarize the temporal distribution of each mercury specie at each site and compare to other speciation data sets developed by other researchers and (2) provide insight into urban and non-urban mercury speciation effects using various statistical methods. Average specie concentrations were as follows: 4.05 ng m(-3) (GEM), 13.6 pg m(-3) (RGM), 16.4 pg m(-3) (Hg-p) for Tuscaloosa; 3.20 ng m(-3) (GEM), 13.6 pg m(-3) (RGM), 9.73 pg m(-3) (Hg-p) for Cove Mountain. As a result of urban airshed impacts, short periods of high concentration for all mercury species was common in Tuscaloosa. At Cove Mountain a consistent mid-day rise and evening drop for mercury species was found. This pattern was primarily the result of un-impacted physical boundary layer movement, although, other potential impacts were ambient photochemistry and air-surface exchange of mercury. Meteorological parameters that are known to heavily impact mercury speciation were similar for the study period for Tuscaloosa and Cove Mountain except for wind speed (m s(-1)), which was higher at Cove Mountain. For both sites statistically significant (p < 0.0001), inverse relationships existed between wind speed and Hg-O concentration. A weaker windspeed-Hg-O correlation existed for Tuscaloosa. By analyzing Hg concentration-wind speed magnitude change at both sites it was found that wind speed at Cove Mountain had a greater influence on Hg-O concentration variability than Tuscaloosa by a factor of 3. Using various statistical tests, we concluded that the nature of Tuscaloosa's atmospheric mercury speciation was the result of typical urban airshed impacts. Cove Mountain showed atmospheric mercury speciation characteristics indicative of a non-urban area along with potential influence from steady regional input of mercury pollution from larger sources. (c) 2005 Elsevier Ltd. All rights reserved. C1 Univ Alabama, Dept Civil & Environm Engn, Tuscaloosa, AL 35487 USA. NOAA, Natl Ocean & Atmospher Adm, ATDD, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Williamson, DG (reprint author), Univ Alabama, Dept Civil & Environm Engn, Box 870205, Tuscaloosa, AL 35487 USA. EM dwilliamson@coe.eng.ua.edu NR 44 TC 63 Z9 65 U1 0 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 J9 ATMOS ENVIRON JI Atmos. Environ. PD SEP PY 2005 VL 39 IS 27 BP 4947 EP 4958 DI 10.1016/j.atmosenv.2005.05.003 PG 12 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 964MP UT WOS:000231885500013 ER PT J AU Fast, JD Heilman, WE AF Fast, JD Heilman, WE TI Simulated sensitivity of seasonal ozone exposure in the Great Lakes region to changes in anthropogenic emissions in the presence of interannual variability SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE regional photochemical modeling; air quality; ozone exposure; boundary layer; NOx; VOC ID UNITED-STATES; AIR-QUALITY; TROPOSPHERIC OZONE; CLOSURE-MODEL; TURBULENCE; CLIMATE AB A coupled meteorological and chemical modeling system with a 12-km horizontal grid spacing was used to simulate the evolution of ozone over the Great Lakes region between May and September of 1999 and 2001. The overall temporal and spatial variations in hourly ozone concentrations and ozone exposure from control simulations agreed reasonably well with the observations at most locations with an overall monthly bias computed across all stations ranging from -3.2 to 5.3 ppb, the root mean square difference ranging from 18.2 to 22.2 ppb, and an index of agreement ranging from 0.63 to 0.78. As with the observations, the simulated ozone exposure was higher during most months of the summer of 1999 than during 2001. Sensitivity simulations that increased anthropogenic trace gas emissions were performed to determine the changes in ozone exposure in the presence of meteorological interannual variability. The emission scenario simulations that employed the meteorological conditions of 1999 and increased anthropogenic emissions of NOx and VOCs produced increases in ozone exceeding 80 ppb over the lower peninsula of Michigan, the eastern half of the upper peninsula of Michigan, and over Ontario just north of Lake Superior and Lake Huron. Over the agricultural regions, more ozone between 60 and 80 ppb was produced. The cooler and wetter conditions with more frequent periods of northwesterly flow during the summer of 2001 were not as favorable for ozone production and did not result in increased ozone, despite the increase in anthropogenic emissions. Increases in ozone exceeding 60 ppb occurred only over the lake surfaces and in central Michigan when the meteorological conditions of the summer of 2001 were applied. For both summers, increases in anthropogenic emissions decreased ozone exposure in the immediate vicinity of the largest metropolitan areas. Since anthropogenic emission rate projections depend on assumptions of population, economic development, land-use patterns, and technology, the effect of anthropogenic emission rates on the magnitude and regional-scale distribution of ozone concentrations could be much larger or smaller than indicated by this study. In a subsequent study, the simulated ozone will be used as input to biological models to assess the response of ozone-sensitive tree species in the Great Lakes region to ozone levels produced by various anthropogenic emission scenarios. (c) 2005 Published by Elsevier Ltd. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. USDA, Forest Serv, E Lansing, MI USA. RP Fast, JD (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jerome.fast@pnl.gov NR 28 TC 8 Z9 8 U1 0 U2 8 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 J9 ATMOS ENVIRON JI Atmos. Environ. PD SEP PY 2005 VL 39 IS 29 BP 5291 EP 5306 DI 10.1016/j.atmosenv.2005.05.032 PG 16 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 972DT UT WOS:000232434900008 ER PT J AU Chan, HB Marcet, Z Carr, D Bower, JE Cirelli, R Ferry, E Klemens, FP Miner, JF Pai, CS Taylor, JA AF Chan, HB Marcet, Z Carr, D Bower, JE Cirelli, R Ferry, E Klemens, FP Miner, JF Pai, CS Taylor, JA TI Transmission enhancement in an array of subwavelength slits in aluminum due to surface plasmon resonances SO BELL LABS TECHNICAL JOURNAL LA English DT Article ID COUPLED-WAVE ANALYSIS; OPTICAL-TRANSMISSION; METALLIC GRATINGS; IMPLEMENTATION; NANOPARTICLES AB The coupling of light to surface plasmons through periodic subwavelength metallic structures could strongly modify the optical properties of a metal film. We demonstrate that the optical transmission through an array of subwavelength slits is as high as 80% at resonance, even though the width of each slit is almost 10 times smaller than the wavelength and the slits occupy only 25% of the area of the metal. Numerical calculations suggest that the field intensity is strongly enhanced near the metal surface. The field enhancement could be used for generating nonlinear optical effects and for high sensitivity detection of nanomechanical displacement. (c) 2005 Lucent Technologies Inc. C1 Univ Florida, Dept Phys, Gainesville, FL 32611 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. New Jersey Nanotechnol Consortium, Nanofabricat Res Dept, Murray Hill, NJ USA. RP Chan, HB (reprint author), Univ Florida, Dept Phys, Gainesville, FL 32611 USA. NR 26 TC 10 Z9 10 U1 1 U2 6 PU WILEY PERIODICALS, INC PI SAN FRANCISCO PA ONE MONTGOMERY ST, SUITE 1200, SAN FRANCISCO, CA 94104 USA SN 1089-7089 J9 BELL LABS TECH J JI Bell Labs Tech. J. PD FAL PY 2005 VL 10 IS 3 BP 143 EP 150 DI 10.1002/bltj.20109 PG 8 WC Computer Science, Information Systems; Engineering, Electrical & Electronic; Telecommunications SC Computer Science; Engineering; Telecommunications GA 986BO UT WOS:000233424000010 ER PT J AU Liu, CM Jin, QL Sutton, A Chen, LH AF Liu, CM Jin, QL Sutton, A Chen, LH TI A novel fluorescent probe: Europium complex hybridized T7 phage SO BIOCONJUGATE CHEMISTRY LA English DT Article ID BACTERIOPHAGE T7; BIOLOGICAL APPLICATIONS; PROTEIN AB We report on the creation of a novel fluorescent probe of europium-complex hybridized T7 phage. It was made by filling a ligand-displayed T7 ghost phage with a fluorescent europium complex particle. The structure of the hybridized phage, which contains a fluorescent inorganic core surrounded by a ligand-displayed capsid shell, was confirmed by electron microscope, energy-dispersive X-ray analysis (EDX), bioassays, and fluorescence spectrometer. More importantly, as a benefit of the phage display technology, the hybridized phage has the capability to integrate an affinity reagent against virtually any target molecules. The approach provides an original method to fluorescently "tag" a bioligand and/or to "biofunctionalize" a fluorophore particle. By using other types of materials such as radioactive or magnetic particles to fill the ghost phage, we envision that the hybridized phages represent a new class of fluorescent, magnetic, or radioprobes for imaging and bioassays and could be used both in vitro and in vivo. C1 Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Chen, LH (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM lhchen@anl.gov NR 16 TC 11 Z9 11 U1 3 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1043-1802 J9 BIOCONJUGATE CHEM JI Bioconjugate Chem. PD SEP-OCT PY 2005 VL 16 IS 5 BP 1054 EP 1057 DI 10.1021/bc050108+ PG 4 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Chemistry, Multidisciplinary; Chemistry, Organic SC Biochemistry & Molecular Biology; Chemistry GA 967CX UT WOS:000232070200002 PM 16173779 ER PT J AU White, AM Daly, DS Willse, AR Protic, M Chandler, DP AF White, AM Daly, DS Willse, AR Protic, M Chandler, DP TI Automated microarray image analysis toolbox for MATLAB SO BIOINFORMATICS LA English DT Article AB The Automated Microarray Image Analysis (AMIA) Toolbox for MATLAB is a flexible, open-source, microarray image analysis tool that allows the user to customize analyses of microarray image sets. This tool provides several methods to identify and quantify spot statistics, as well as extensive diagnostic statistics and images to evaluate data quality and array processing. The open, modular nature of AMIA provides access to implementation details and encourages modification and extension of AMIA's capabilities. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Argonne Natl Lab, Biochip Technol Ctr, Argonne, IL 60439 USA. RP White, AM (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM amanda.white@pnl.gov FU NIBIB NIH HHS [5 R21 EB000980-02] NR 3 TC 10 Z9 12 U1 0 U2 0 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 J9 BIOINFORMATICS JI Bioinformatics PD SEP 1 PY 2005 VL 21 IS 17 BP 3578 EP 3579 DI 10.1093/bioinformatics/bti576 PG 2 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA 958UA UT WOS:000231472500021 PM 16046497 ER PT J AU Firestone, MA Seifert, S AF Firestone, MA Seifert, S TI Interaction of nonionic PEO-PPO diblock copolymers with lipid bilayers SO BIOMACROMOLECULES LA English DT Article ID BLOCK-COPOLYMERS; POLY(ETHYLENE OXIDE); ETHYLENE-OXIDE; PHASE-BEHAVIOR; POLY(PROPYLENE OXIDE); TRIBLOCK COPOLYMERS; 1,2-BUTYLENE OXIDE; COMPLEX FLUID; MEMBRANES; LIPOSOMES AB The relationship between the molecular architecture of a series of poly(ethylene oxide) -b-poly(propylene oxide) (PEO-PPO) diblock copolymers and the nature of their interactions with lipid bilayers has been studied using small- and wide-angle X-ray scattering (SAXS and WAXS) and differential scanning calorimetry (DSC). The number of molecular repeat units in the hydrophobic PPO block has been found to be a critical determinant of the nature of diblock copolymer-lipid bilayer association. For dimyristoyl-sn-glycero-3-phosphocholine (DMPC)-based biomembrane structures, polymers whose PPO chain length approximates that of the acyl chains of the lipid bilayer yield highly ordered, expanded lamellar structures consistent with well-integrated (into the lipid bilayer) PPO blocks. Shorter diblock copolymers produce mixed lamellar and nonlamellar mesophases. The thermotropic phase behavior of the polymer-doped membrane systems is highly influenced by the presence and molecular architecture of the diblock copolymer, as evidenced by shifting of the main phase transition to higher temperatures, broadening of the main transition, and the appearance of other features. Studies of temperature-induced changes in the mesophase structure for compositions prepared with well-integrated PEO-PPO polymers indicate that they undergo reversible changes to a nonlamellar structure as the temperature is lowered. Increasing either the number of repeat units in the PEO block or the polymer concentration promotes a greater degree of structural ordering. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Argonne Natl Lab, Adv Photon Source Div, Argonne, IL 60439 USA. RP Firestone, MA (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM firestone@anl.gov NR 42 TC 43 Z9 44 U1 0 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1525-7797 J9 BIOMACROMOLECULES JI Biomacromolecules PD SEP-OCT PY 2005 VL 6 IS 5 BP 2678 EP 2687 DI 10.1021/bm0500998 PG 10 WC Biochemistry & Molecular Biology; Chemistry, Organic; Polymer Science SC Biochemistry & Molecular Biology; Chemistry; Polymer Science GA 964RW UT WOS:000231899200037 PM 16153106 ER PT J AU Luzzi, SD Marletta, MA AF Luzzi, SD Marletta, MA TI L-arginine analogs as alternate substrates for nitric oxide synthase SO BIOORGANIC & MEDICINAL CHEMISTRY LETTERS LA English DT Article DE nitric oxide synthase; canavanine; arginine ID HYDROXY-L-ARGININE; METHYL-L-ARGININE; HEME DOMAIN; EFFICIENT METHOD; LOW-TEMPERATURE; NO SYNTHASE; AMINO-ACIDS; TETRAHYDROBIOPTERIN; BRAIN; CATALYSIS AB The L-arginine analogs, N-delta-methyl-L-arginine (delta MA) and L-canavanine, were used to probe the role of the N-delta nitrogen of L-arginine in the reaction catalyzed by nitric oxide synthase (NOS). delta MA was synthesized and found to be a partial alternate substrate and a weak, reversible inhibitor of NOS with a K-i equal to 1.4 mM. delta MA undergoes hydroxylation; however, it is not converted further, hence it functions as a partial substrate. L-Canavanine was converted to an L-homoserine presumably via initial hydroxylation and decomposition. The mechanism of this reaction and products of this reaction were not probed further. (c) 2005 Elsevier Ltd. All rights reserved. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys Biosci, Berkeley, CA 94720 USA. RP Marletta, MA (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM marletta@berkeley.edu NR 43 TC 15 Z9 15 U1 1 U2 4 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0960-894X J9 BIOORG MED CHEM LETT JI Bioorg. Med. Chem. Lett. PD SEP 1 PY 2005 VL 15 IS 17 BP 3934 EP 3941 DI 10.1016/j.bmcl.2005.05.088 PG 8 WC Chemistry, Medicinal; Chemistry, Organic SC Pharmacology & Pharmacy; Chemistry GA 954WM UT WOS:000231186000025 PM 15993059 ER PT J AU Karim, K Klasson, KT Hoffmann, R Drescher, SR DePaoli, DW Al-Dahhan, MH AF Karim, K Klasson, KT Hoffmann, R Drescher, SR DePaoli, DW Al-Dahhan, MH TI Anaerobic digestion of animal waste: Effect of mixing SO BIORESOURCE TECHNOLOGY LA English DT Article DE anaerobic; biogas; draft tube; digestion; manure; mixing ID TOTAL NITROGEN; PERFORMANCE; BIOGAS; WATER AB Six laboratory scale biogas mixed anaerobic digesters were operated to study the effect of biogas recycling rates and draft tube height on their performance. The digesters produced methane at 0.40-0.45 L per liter of digester volume per day. A higher methane production rate was observed in unmixed digesters, while increased biogas circulation rate reduced methane production. However, different draft tube heights caused no difference in the methane production rate. Air infiltration (up to 15% oxygen in the biogas) was observed in the digesters mixed by biogas recirculation. Slight air permeability of tubing or leakage on the vacuum side of the air Pump may have caused the observed air infiltration. The similar performance of the mixed and unmixed digesters might be the result of the low solids concentration (50 g dry solids per liter of slurry) in the fed animal slurry, which could be sufficiently mixed by the naturally produced biogas. (c) 2005 Elsevier Ltd. All rights reserved. C1 Washington Univ, Dept Chem Engn, CREL, St Louis, MO 63130 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Al-Dahhan, MH (reprint author), Washington Univ, Dept Chem Engn, CREL, 1 Brookings Dr,Campus Box 1198, St Louis, MO 63130 USA. EM muthanna@wuche.wustl.edu OI Klasson, K. Thomas/0000-0003-3358-3081 NR 23 TC 39 Z9 43 U1 2 U2 16 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD SEP PY 2005 VL 96 IS 14 BP 1607 EP 1612 DI 10.1016/j.biortech.2004.12.021 PG 6 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 945AI UT WOS:000230472300011 PM 15978994 ER PT J AU Wright, MS Covich, AP AF Wright, MS Covich, AP TI The effect of macroinvertebrate exclusion on leaf breakdown rates in a tropical headwater stream SO BIOTROPICA LA English DT Article DE fresh water shrimp; headwater stream; leaf breakdown; leaf chemistry; macroinvertebrate exclusion; Puerto Rico; tropics ID LITTER DECOMPOSITION; PUERTO-RICO; CONDENSED TANNINS; PROCESSING RATES; ASSEMBLAGES; TEMPERATE; PATTERNS; DETRITUS; FOREST; LEAVES AB The role of macroinvertebrates in the process of leaf breakdown is well studied in temperate streams, but less is known about their role in the tropics. We investigated the effect of reducing macroinvertebrate access to leaf material on leaf breakdown rates in a forested headwater stream in the Luquillo Experimental Forest, Puerto Rico. We measured leaf mass loss using fine and coarse mesh bags over 12 weeks for two common riparian species: Cecropia scbreberiana (Moraceae) and Dacryodes excelsa (Burseraceae). Coarse mesh allowed freshwater shrimp and other macroinvertebrates to access leaf material, while fine mesh did not. Leaf breakdown rates did notcliffer between C schreberiana and D. excelsa in coarse mesh bags (-0.0375/day vs. -0.0395/day, respectively), but C schreberiana breakdown was significantly slower than D. excelsa in fine mesh bags (-0.0159/day vs. -0.0266/day). Additionally, breakdown in fine mesh bags was significantly slower compared to coarse mesh bags for C schreberiana, but less so for D. excelsa. Breakdown rates for all treatments were fast relative to those in temperate-zone streams indicating that both macroinvertebrates and macroinvertebrate-independent processing can strongly influence leaf decomposition in tropical streams. The difference between C. schreberiana and D. excelsa indicates that the effect of macroinvertebrate exclusion can change with leaf type. C1 Univ Georgia, Inst Ecol, Athens, GA 30602 USA. RP Wright, MS (reprint author), Savannah River Ecol Lab, Aiken, SC 29802 USA. EM mswright@uga.edu NR 29 TC 35 Z9 40 U1 2 U2 20 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0006-3606 J9 BIOTROPICA JI Biotropica PD SEP PY 2005 VL 37 IS 3 BP 403 EP 408 DI 10.1111/j.1744-7429.2005.00053.x PG 6 WC Ecology SC Environmental Sciences & Ecology GA 956MR UT WOS:000231304500012 ER PT J AU Brettin, T Altherr, MR Du, Y Mason, RM Friedrich, A Potter, L Langford, C Keller, TJ Jens, J Howie, H Weyand, NJ Clary, S Prichard, K Wachocki, S Sodergren, E Dillard, JP Weinstock, G So, M Arvidson, CG AF Brettin, T Altherr, MR Du, Y Mason, RM Friedrich, A Potter, L Langford, C Keller, TJ Jens, J Howie, H Weyand, NJ Clary, S Prichard, K Wachocki, S Sodergren, E Dillard, JP Weinstock, G So, M Arvidson, CG TI Expression capable library for studies of Neisseria gonorrhoeae, version 1.0 SO BMC MICROBIOLOGY LA English DT Article ID FALLOPIAN-TUBE MUCOSA; TISSUE-CULTURE CELLS; OPEN READING FRAMES; EPITHELIAL-CELLS; PATHOGENIC NEISSERIAE; PROTEIN EXPRESSION; MEMBRANE-PROTEINS; GENE-EXPRESSION; ORGAN-CULTURE; IV PILI AB Background: The sexually transmitted disease, gonorrhea, is a serious health problem in developed as well as in developing countries, for which treatment continues to be a challenge. The recent completion of the genome sequence of the causative agent, Neisseria gonorrhoeae, opens up an entirely new set of approaches for studying this organism and the diseases it causes. Here, we describe the initial phases of the construction of an expression-capable clone set representing the protein-coding ORFs of the gonococcal genome using a recombination-based cloning system. Results: The clone set thus far includes 1672 of the 2250 predicted ORFs of the N. gonorrhoeae genome, of which 1393 (83%) are sequence-validated. Included in this set are 48 of the 61 ORFs of the gonococcal genetic island of strain MS11, not present in the sequenced genome of strain FA1090. L-arabinose-inducible glutathione-S-transferase (GST)-fusions were constructed from random clones and each was shown to express a fusion protein of the predicted size following induction, demonstrating the use of the recombination cloning system. PCR amplicons of each ORF used in the cloning reactions were spotted onto glass slides to produce DNA microarrays representing 2035 genes of the gonococcal genome. Pilot experiments indicate that these arrays are suitable for the analysis of global gene expression in gonococci. Conclusion: This archived set of Gateway(R) entry clones will facilitate high-throughput genomic and proteomic studies of gonococcal genes using a variety of expression and analysis systems. In addition, the DNA arrays produced will allow us to generate gene expression profiles of gonococci grown in a wide variety of conditions. Together, the resources produced in this work will facilitate experiments to dissect the molecular mechanisms of gonococcal pathogenesis on a global scale, and ultimately lead to the determination of the functions of unknown genes in the genome. C1 Michigan State Univ, Dept Microbiol & Mol Genet, E Lansing, MI 48824 USA. Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. Oregon Hlth & Sci Univ, Dept Mol Microbiol & Immunol, Portland, OR 97201 USA. Baylor Coll Med, Human Genome Sequencing Ctr, Houston, TX 77030 USA. Univ Wisconsin, Sch Med, Dept Med Microbiol & Immunol, Madison, WI 53706 USA. Univ Warwick, Leicester Warwick Med Sch, Coventry CV4 7AL, W Midlands, England. RP Michigan State Univ, Dept Microbiol & Mol Genet, E Lansing, MI 48824 USA. EM brettin@lanl.gov; altherr@lanl.gov; duying@msu.edu; nelsonr6@msu.edu; friedric@ohsu.edu; l.c.potter@warwick.ac.uk; langford@ohsu.edu; kellert@ohsu.edu; jensjaso@msu.edu; howieh@ohsu.edu; weyandn@ohsu.edu; clarys@ohsu.edu; kjp@lanl.gov; swachocki@direcway.com; ericas@bcm.tmc.edu; jpdillard@facstaff.wisc.edu; gwstock@bcm.tmc.edu; somaggie@ohsu.edu; arvidso3@msu.edu RI Dillard, Joseph/A-4451-2012 FU NIAID NIH HHS [AI34560, AI49973, R01 AI047260, AI47260, R01 AI049973] NR 63 TC 5 Z9 5 U1 0 U2 1 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2180 J9 BMC MICROBIOL JI BMC Microbiol. PD SEP 1 PY 2005 VL 5 AR 50 DI 10.1186/1471-2180-5-50 PG 11 WC Microbiology SC Microbiology GA 970BI UT WOS:000232279800001 PM 16137322 ER PT J AU Epelbaum, E AF Epelbaum, E TI Recent developments in few-nucleon physics SO BRAZILIAN JOURNAL OF PHYSICS LA English DT Article; Proceedings Paper CT 27th Workshop on Nuclear Physics CY SEP 07-11, 2004 CL Santos, BRAZIL SP FAPESP, CNPq, CNEN, FAPERJ, FINEP, CAPES, CLAF, FUNCITEC ID CHIRAL LAGRANGIANS; PHENOMENOLOGICAL LAGRANGIANS; 2-NUCLEON SYSTEM; FORCES AB I discuss recent applications of chiral effective field theory to study the properties of few-nucleon systems. C1 Div Theory, Jefferson Lab, Newport News, VA 23606 USA. RP Epelbaum, E (reprint author), Div Theory, Jefferson Lab, Newport News, VA 23606 USA. NR 24 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0103-9733 EI 1678-4448 J9 BRAZ J PHYS JI Braz. J. Phys. PD SEP PY 2005 VL 35 IS 3B BP 854 EP 857 DI 10.1590/S0103-97332005000500037 PG 4 WC Physics, Multidisciplinary SC Physics GA 979DC UT WOS:000232921600037 ER PT J AU Cahalan, RF Oreopoulos, L Marshak, A Evans, KF Davis, AB Pincus, R Yetzer, KH Mayer, B Davies, R Ackerman, TP Barker, HW Clothiaux, EE Ellingson, RG Garay, MJ Kassianov, E Kinne, S Macke, A O'Hirok, W Partain, PT Prigarin, SM Rublev, AN Stephens, GL Szczap, F Takara, EE Varnai, T Wen, GY Zhuravleva, TB AF Cahalan, RF Oreopoulos, L Marshak, A Evans, KF Davis, AB Pincus, R Yetzer, KH Mayer, B Davies, R Ackerman, TP Barker, HW Clothiaux, EE Ellingson, RG Garay, MJ Kassianov, E Kinne, S Macke, A O'Hirok, W Partain, PT Prigarin, SM Rublev, AN Stephens, GL Szczap, F Takara, EE Varnai, T Wen, GY Zhuravleva, TB TI The 13RC - Bringing together the most advanced radiative transfer tools for cloudy atmospheres SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY LA English DT Article ID INDEPENDENT PIXEL APPROXIMATION; GENERAL-CIRCULATION MODELS; DISCRETE-ORDINATE-METHOD; AVERAGED SOLAR FLUXES; PART I; INHOMOGENEOUS CLOUDS; MULTIPLE-SCATTERING; CLIMATE FEEDBACK; PARAMETERIZATION; SIMULATION AB The interaction of clouds with solar and terrestrial radiation is one of the most important topics of climate research. In recent years it has been recognized that only a full three-dimensional (3D) treatment of this interaction can provide answers to many climate and remote sensing problems, leading to the worldwide development of numerous 3D radiative transfer (RT) codes. The international Intercomparison of 3D Radiation Codes (I3RC), described in this paper, sprung from the natural need to compare the performance of these 3D RT codes used in a variety of current scientific work in the atmospheric sciences. I3RC supports intercomparison and development of both exact and approximate 3D methods in its effort to 1) understand and document the errors/limits of 3D algorithms and their sources; 2) provide "baseline" cases for future code development for 3D radiation; 3) promote sharing and production of 3D radiative tools; 4) derive guidelines for 3D radiative tool selection; and 5) improve atmospheric science education in 3D RT. Results from the two completed phases of I3RC have been presented in two workshops and are expected to guide improvements in both remote sensing and radiative energy budget calculations in cloudy atmospheres. C1 NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Univ Maryland Baltimore Cty, Baltimore, MD 21228 USA. Univ Colorado, Boulder, CO 80309 USA. Los Alamos Natl Lab, Los Alamos, NM USA. NOAA, CIRES, Climate Diagnost Ctr, Boulder, CO 80303 USA. Raytheon ITSS, Beltsville, MD USA. Deutsch Zentrum Luft & Raumfahrt, Oberpfaffenhofen, Germany. CALTECH, Jet Prop Lab, Pasadena, CA USA. Pacific NW Natl Lab, Richland, WA USA. Meteorol Serv Canada, Downsview, ON, Canada. Penn State Univ, University Pk, PA 16802 USA. Florida State Univ, Tallahassee, FL 32306 USA. Univ Calif Los Angeles, Los Angeles, CA USA. Max Planck Inst Meteorol, Hamburg, Germany. Univ Kiel, Liebniz Inst Marine Sci, IFM GEOMAR, Kiel, Germany. Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. Colorado State Univ, Ft Collins, CO 80523 USA. Inst Computat Math & Math Geophys, Novosibirsk, Russia. Kurchatov Inst, Moscow, Russia. Univ Clermont Ferrand, Clermont Ferrand, France. Russian Acad Sci, Inst Atmospher Opt, Tomsk, Russia. RP Cahalan, RF (reprint author), NASA, Goddard Space Flight Ctr, Code 613-2, Greenbelt, MD 20771 USA. EM Robert.F.Cahalan@nasa.gov RI Mayer, Bernhard/B-3397-2011; Davies, Roger/D-4296-2009; Oreopoulos, Lazaros/E-5868-2012; Cahalan, Robert/E-3462-2012; Marshak, Alexander/D-5671-2012; Pincus, Robert/B-1723-2013 OI Mayer, Bernhard/0000-0002-3358-0190; Davies, Roger/0000-0002-2991-0409; Oreopoulos, Lazaros/0000-0001-6061-6905; Cahalan, Robert/0000-0001-9724-1270; Pincus, Robert/0000-0002-0016-3470 NR 59 TC 117 Z9 119 U1 3 U2 10 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0003-0007 J9 B AM METEOROL SOC JI Bull. Amer. Meteorol. Soc. PD SEP PY 2005 VL 86 IS 9 BP 1275 EP + DI 10.1175/BAMS-86-9-1275 PG 20 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 971DV UT WOS:000232362500023 ER PT J AU Subramaniam, S Lance, MJ Rawn, CJ Chakoumakos, BC Rondinone, AJ AF Subramaniam, S Lance, MJ Rawn, CJ Chakoumakos, BC Rondinone, AJ TI Raman spectroscopic studies on structure I and structure II trimethylene oxide hydrate SO CANADIAN JOURNAL OF PHYSICS LA English DT Article ID RING-PUCKERING VIBRATION; CH2 SCISSORING REGION; H STRETCHING REGION; DEUTERATED ANALOGS; CLATHRATE HYDRATE; SPECTRA; PROGRESSIONS; ABSORPTION; CARS AB Raman spectra were collected from structure I (sI) and structure II (sII) trimethylene oxide (TMO) hydrates at various temperatures and used to assign the vibrational modes, investigate the ordering of TMO molecules inside the cage structure, and to determine possible interactions between the guest and the host lattice. Only Raman spectra from sI hydrate could be analyzed since the low concentration of TMO prevented sII peaks from being resolved. Comparison of the Raman spectra of liquid, solid, and enclathrated TMO (sI) showed Raman shifts to higher wave numbers for the enclathrated TMO; mainly among the ring modes. The ring and (or) skeletal modes around 930 cm(-1) and the asymmetric CH2 stretching mode around 2970 cm(-1), showed shifts greater than 10 cm(-1). These observed changes are interpreted on the basis of the "loose-cage-tight-cage" model, which interprets the shift as arising from strain induced by the hydrate cage on the guest TMO molecules in the 6(2) cages. In addition, variable temperature Raman studies, in the temperatures ranging from 103 to 203 K, showed no evidence of ordering and (or) reorientation of host molecules. C1 Miles Coll, Dept Chem, Fairfield, AL 35064 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Solid State, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Subramaniam, S (reprint author), Miles Coll, Dept Chem, 5500 Myron Massey Blvd, Fairfield, AL 35064 USA. EM ssubr@mail.miles.edu RI Rondinone, Adam/F-6489-2013; Chakoumakos, Bryan/A-5601-2016; Lance, Michael/I-8417-2016 OI Rondinone, Adam/0000-0003-0020-4612; Chakoumakos, Bryan/0000-0002-7870-6543; Lance, Michael/0000-0001-5167-5452 NR 25 TC 3 Z9 3 U1 3 U2 3 PU NATL RESEARCH COUNCIL CANADA PI OTTAWA PA RESEARCH JOURNALS, MONTREAL RD, OTTAWA, ONTARIO K1A 0R6, CANADA SN 0008-4204 J9 CAN J PHYS JI Can. J. Phys. PD SEP PY 2005 VL 83 IS 9 BP 941 EP 949 DI 10.1139/P05-040 PG 9 WC Physics, Multidisciplinary SC Physics GA 964NP UT WOS:000231888100005 ER PT J AU Wang, HW Long, S Finley, KR Nogales, E AF Wang, HW Long, S Finley, KR Nogales, E TI Assembly of GMPCPP-bound tubulin into helical ribbons and tubes and effect of colchicine SO CELL CYCLE LA English DT Article DE tubulin; microtubules; dynamic instability; GMPCPP; colchicine; electron microscopy ID SLOWLY HYDROLYZABLE ANALOG; ALPHA-BETA-TUBULIN; MICROTUBULE DYNAMICS; GTP HYDROLYSIS; RESOLUTION; INFORMATION; COMPLEX AB Microtubule assembly and disassembly is a complex structural process that does not proceed by simple addition and subtraction of individual subunits to and from a helical polymer, as would be the case for actin and other helical assemblies. The dynamic process of microtubule growth and shrinking involves short-lasting polymer forms that differ substantially from the microtubule itself and constitute crucial assembly and disassembly intermediates. Structural characterization thus depends on the stabilization of these brief intermediates and their preservation as polymeric assemblies. This paper gives experimental details on the polymerization of GMPCPP-tubulin into low-temperature, stable polymers that we propose to correspond to the early stages in microtubule assembly, and includes new data on the effect of colchicine on GMPCPP-tubulin polymerization. Finally, we add our thoughts on the possible biological meaning of tubulin polymerization versatility. C1 Univ Calif Berkeley, Howard Hughes Med Inst, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Mol & Cell Biol Grad Program, Berkeley, CA 94720 USA. RP Wang, HW (reprint author), Univ Calif Berkeley, Howard Hughes Med Inst, Dept Mol & Cell Biol, 355 LSA, Berkeley, CA 94720 USA. EM hwwang@lbl.gov NR 19 TC 20 Z9 21 U1 0 U2 1 PU LANDES BIOSCIENCE PI GEORGETOWN PA 810 SOUTH CHURCH STREET, GEORGETOWN, TX 78626 USA SN 1538-4101 J9 CELL CYCLE JI Cell Cycle PD SEP PY 2005 VL 4 IS 9 BP 1157 EP 1160 PG 4 WC Cell Biology SC Cell Biology GA 959JB UT WOS:000231512900009 PM 16123589 ER PT J AU Altmann, EG Motter, AE Kantz, H AF Altmann, EG Motter, AE Kantz, H TI Stickiness in mushroom billiards SO CHAOS LA English DT Article ID LONG-TIME TAILS; HAMILTONIAN-SYSTEMS; TRANSPORT; STATISTICS AB We investigate the dynamical properties of chaotic trajectories in mushroom billiards. These billiards present a well-defined simple border between a single regular region and a single chaotic component. We find that the stickiness of chaotic trajectories near the border of the regular region occurs through an infinite number of marginally unstable periodic orbits. These orbits have zero measure, thus not affecting the ergodicity of the chaotic region. Notwithstanding, they govern the main dynamical properties of the system. In particular, we show that the marginally unstable periodic orbits explain the periodicity and the power-law behavior with exponent gamma=2 observed in the distribution of recurrence times. (C) 2005 American Institute of Physics. C1 Max Planck Inst Phys Complex Syst, D-01187 Dresden, Germany. Los Alamos Natl Lab, Div Theoret, Complex Syst Grp, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Altmann, EG (reprint author), Max Planck Inst Phys Complex Syst, Nothnitzer Str 38, D-01187 Dresden, Germany. EM edugalt@mpipks-dresden.mpg.de RI Altmann, Eduardo/A-3320-2009 OI Altmann, Eduardo/0000-0002-1932-3710 NR 19 TC 42 Z9 42 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 1054-1500 J9 CHAOS JI Chaos PD SEP PY 2005 VL 15 IS 3 AR 033105 DI 10.1063/1.1979211 PG 7 WC Mathematics, Applied; Physics, Mathematical SC Mathematics; Physics GA 976HL UT WOS:000232723900005 PM 16252979 ER PT J AU Greenbaum, BD Habib, S Shizume, K Sundaram, B AF Greenbaum, BD Habib, S Shizume, K Sundaram, B TI The semiclassical regime of the chaotic quantum-classical transition SO CHAOS LA English DT Article ID PHASE-SPACE; DECOHERENCE; EMERGENCE; MECHANICS; DYNAMICS; STATES; MODEL AB An analysis of the semiclassical regime of the quantum-classical transition is given for open, bounded, one-dimensional chaotic dynamical systems. Environmental fluctuations-characteristic of all realistic dynamical systems-suppress the development of a fine structure in classical phase space and damp nonlocal contributions to the semiclassical Wigner function, which would otherwise invalidate the approximation. This dual regularization of the singular nature of the semiclassical limit is demonstrated by a numerical investigation of the chaotic Duffing oscillator. (C) 2005 American Institute of Physics. C1 Columbia Univ, Dept Phys, New York, NY 10027 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Univ Tsukuba, Inst Lib & Informat Sci, Tsukuba, Ibaraki 3058550, Japan. CUNY Coll Staten Isl, Grad Fac Phys, Staten Isl, NY 10314 USA. CUNY Coll Staten Isl, Dept Math, Staten Isl, NY 10314 USA. RP Greenbaum, BD (reprint author), Columbia Univ, Dept Phys, 538 W 120th St, New York, NY 10027 USA. RI Sundaram, Bala/A-6532-2010 OI Sundaram, Bala/0000-0002-1728-704X NR 32 TC 5 Z9 5 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 1054-1500 J9 CHAOS JI Chaos PD SEP PY 2005 VL 15 IS 3 AR 033302 DI 10.1063/1.1979227 PG 6 WC Mathematics, Applied; Physics, Mathematical SC Mathematics; Physics GA 976HL UT WOS:000232723900014 PM 16252988 ER PT J AU Bast, RC Lilja, H Urban, N Rimm, DL Fritsche, H Gray, J Veltri, R Klee, G Allen, A Kim, N Gutman, S Rubin, MA Hruszkewycz, A AF Bast, RC Lilja, H Urban, N Rimm, DL Fritsche, H Gray, J Veltri, R Klee, G Allen, A Kim, N Gutman, S Rubin, MA Hruszkewycz, A TI Translational crossroads for biomarkers SO CLINICAL CANCER RESEARCH LA English DT Editorial Material ID PROSTATE-CANCER; TISSUE MICROARRAYS; QUANTITATIVE-ANALYSIS; BREAST-CANCER; ANTIGEN PSA; EXPRESSION; DISEASE AB A group of investigators met at a Specialized Programs of Research Excellence Workshop to discuss key issues in the translation of biomarker discovery to the development of useful laboratory tests for cancer care. Development and approval of several new markers and technologies have provided informative examples that include more specific markers for prostate cancer, more sensitive tests for ovarian cancer, more objective analysis of tissue architecture and an earlier indication of response to treatment in breast cancer. Although there is no clear paradigm for biomarker development, several principles are clear. Marker development should be driven by clinical needs, including early cancer detection, accurate pretreatment staging, and prediction of response to treatment, as well as monitoring disease progression and response to therapy. Development of a national repository that uses carefully preserved, well-annotated tissue specimens will facilitate new marker development. Reference standards will be an essential component of this process. Both hospital-based and commercial laboratories can play a role in developing biomarkers from discovery to test validation. Partnering of academe and industry should occur throughout the process of biomarker development. The National Cancer Institute is in a unique position to bring together academe, industry, and the Food and Drug Administration to (a) define clinical needs for biomarkers by tumor type, (b) establish analytic and clinical paradigms for biomarker development, (c) discuss ways in which markers from different companies might be evaluated in combination, (cl) establish computational methods to combine data from multiple biomarkers, (e) share information regarding promising markers developed in National Cancer Institute -supported programs, and (f) exchange data regarding new platforms and techniques that can accelerate marker development. C1 Univ Texas, MD Anderson Canc Ctr, Houston, TX 77030 USA. Mem Sloan Kettering Canc Ctr, New York, NY 10021 USA. Fred Hutchinson Canc Res Ctr, Seattle, WA 98104 USA. Yale Univ, Sch Med, New Haven, CT USA. Lawrence Livermore Natl Lab, Livermore, CA USA. diaDexus, San Francisco, CA USA. Johns Hopkins Univ Hosp, Baltimore, MD 21205 USA. US FDA, Rockville, MD 20857 USA. Natl Canc Inst, Bethesda, MD USA. Mayo Clin, Rochester, MN USA. Abbott Labs, Abbott Pk, IL 60064 USA. Dana Farber Canc Inst, Boston, MA 02115 USA. RP Bast, RC (reprint author), Univ Texas, MD Anderson Canc Ctr, Box 355,1515 Holcombe Blvd, Houston, TX 77030 USA. EM rbast@mdanderson.org RI Bast, Robert/E-6585-2011; OI Bast, Robert/0000-0003-4621-8462; Lilja, Hans/0000-0001-5871-7846; Rubin, Mark/0000-0002-8321-9950 NR 16 TC 54 Z9 57 U1 1 U2 3 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 1078-0432 J9 CLIN CANCER RES JI Clin. Cancer Res. PD SEP 1 PY 2005 VL 11 IS 17 BP 6103 EP 6108 DI 10.1158/1078-0432.CCR-04-2213 PG 6 WC Oncology SC Oncology GA 962IB UT WOS:000231723600003 PM 16144908 ER PT J AU Scholle, MD Kehoe, JW Kay, BK AF Scholle, MD Kehoe, JW Kay, BK TI Efficient construction of a large collection of phage-displayed combinatorial peptide libraries SO COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING LA English DT Article DE bacteriophage M13; combinatorial peptides; Kunkel mutagenesis; peptide libraries; reduced codon sets ID PROTEIN-INTERACTION NETWORKS; FILAMENTOUS PHAGE; IN-VITRO; BINDING-PROTEINS; SELECTION; RECOGNITION; AFFINITY; LIGANDS; TARGETS; IDENTIFICATION AB Selections from phage-displayed combinatorial peptide libraries are an effective strategy for identifying peptide ligands to target proteins. Existing protocols for constructing phage-displayed libraries utilize either ligation into double-stranded phage DNA or Kunkel mutagenesis with single-stranded phagemid DNA. Although the Kunkel approach rapidly provides library sizes of up to 10(11), as many as 20% of the phagemids may be non-recombinant. With several modifications to current Kunkel protocols, we have generated peptide libraries with sizes of up to 10(11) clones and recombination frequencies approaching 100%. The production of phage libraries, as opposed to phagemid libraries, simplifies selection experiments by eliminating the need for helper phage. Our approach relies upon the presence of an amber stop codon in the coding region of gene III of bacteriophage M13. Oligonucleotides containing randomized stretches of DNA are annealed to the phage genome such that the randomized region forms a heteroduplex with the stop codon. The oligonucleotide is then enzymatically extended to generate covalently-closed, circular DNA, which is electroporated into a non-suppressor strain of Escherichia coli. If the amber stop codon is present in the DNA molecule, protein III is not synthesized and the phage cannot propagate itself. This method is customizable for the display of either random or focused peptide libraries. To date, we have constructed 22 different libraries ranging from 8-20 amino acids in length, utilizing complete or reduced codon sets. C1 Argonne Natl Lab, Biosci Div, Combinatorial Biol Ctr, Argonne, IL 60439 USA. RP Kay, BK (reprint author), Argonne Natl Lab, Biosci Div, Combinatorial Biol Ctr, 9700 S Cass Ave, Argonne, IL 60439 USA. EM bkay@anl.gov NR 38 TC 30 Z9 30 U1 2 U2 14 PU BENTHAM SCIENCE PUBL LTD PI SHARJAH PA EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES SN 1386-2073 J9 COMB CHEM HIGH T SCR JI Comb. Chem. High Throughput Screen PD SEP PY 2005 VL 8 IS 6 BP 545 EP 551 DI 10.2174/1386207054867337 PG 7 WC Biochemical Research Methods; Chemistry, Applied; Pharmacology & Pharmacy SC Biochemistry & Molecular Biology; Chemistry; Pharmacology & Pharmacy GA 959YS UT WOS:000231556100012 PM 16178814 ER PT J AU Koetzle, TF Schultz, AJ Henning, R Albinati, A Klooster, WT Eichler, BE Power, PP AF Koetzle, TF Schultz, AJ Henning, R Albinati, A Klooster, WT Eichler, BE Power, PP TI Neutron diffraction analysis of the first stable hydride derivative of a divalent group-14 metal SO COMPTES RENDUS CHIMIE LA English DT Article DE group 14; metal hydride; neutron diffraction; time-of-flight Laue AB A single-crystal neutron diffraction study at 20 K has revealed accurate hydride ligand positions in the first stable hydride derivative of a divalent group-14 metal, [2,6-Trip(2)C(6)H(3)Sn(mu-H)](2)-4C(6)H(6), Trip = 2,4,6-tri-isopropylphenyl [B.E. Eichler, P.P. Power, J. Am. Chem. Soc. 122 (2000) 8785]. In the solid state this dimeric complex assumes a trans C-2h geometry with two bridging hydrides (Sn-H 1.943(7) angstrom, angle C-Sn-H 92.4(2)degrees, angle Sn-H-Sn' 106.9(3)degrees, angle H-Sn-H' 73.1(3)degrees). The bulky Trip ligand serves to stabilize the Sn-H bonds. The tin atoms carry lone pairs, and, as determined previously by X-ray diffraction and reported by Eichler and Power, the tin coordination accordingly is pyramidal as evidenced by the sum of the three bond angles around tin of 257 degrees. To our knowledge this is the first neutron diffraction study of a tin hydride complex to be reported. The neutron diffraction measurements were carried out using the time-of-flight Laue SCD instrument at the Argonne Intense Pulsed Neutron Source. C1 Argonne Natl Lab, Intense Pulsed Neutron Source, Argonne, IL 60439 USA. Univ Milan, Dept Struct Chem, I-20133 Milan, Italy. UdR Milan, INFM, I-20133 Milan, Italy. Australian Nucl Sci & Technol Org, Bragg Inst, Lucas Heights, NSW, Australia. Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. RP Koetzle, TF (reprint author), Argonne Natl Lab, Intense Pulsed Neutron Source, 9700 S Cass Ave, Argonne, IL 60439 USA. EM tkoetzle@anl.gov RI Albinati, Alberto/I-1262-2015 OI Albinati, Alberto/0000-0002-8779-3327 NR 8 TC 6 Z9 6 U1 0 U2 2 PU ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER PI PARIS PA 23 RUE LINOIS, 75724 PARIS, FRANCE SN 1631-0748 J9 CR CHIM JI C. R. Chim. PD SEP-OCT PY 2005 VL 8 IS 9-10 BP 1487 EP 1490 DI 10.1016/j.crci.2004.08.003 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 972WP UT WOS:000232484200016 ER PT J AU Cribier, M Bowles, T AF Cribier, M Bowles, T TI Solar neutrinos SO COMPTES RENDUS PHYSIQUE LA English DT Article DE solar neutrinos; neutrino flavour; flavour oscillations ID SPECTROSCOPY; OSCILLATIONS; DETECTOR; FUTURE; GALLEX; MATTER AB Several decades of studies of solar neutrinos lead now to clear indications that oscillation between v(e) produced in the core of the Sun and other flavours (v(mu) or v(tau)) is the correct explanation of the deficit observed by all experiments. This implies that neutrinos are massive, in contradiction with the minimal standard model of particle physics. Moreover, thanks to the SNO experiment, we know that solar models built by astrophysicists predict correctly the flux of neutrinos. C1 CEA Saclay, SPP, DAPNIA, F-91191 Gif Sur Yvette, France. APC, Lab Astropart & Cosmol, F-75231 Paris, France. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Cribier, M (reprint author), CEA Saclay, SPP, DAPNIA, F-91191 Gif Sur Yvette, France. EM mcribier@cea.fr; tjb@lanl.gov NR 40 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER PI PARIS PA 23 RUE LINOIS, 75724 PARIS, FRANCE SN 1631-0705 J9 CR PHYS JI C. R. Phys. PD SEP PY 2005 VL 6 IS 7 BP 729 EP 738 DI 10.1016/j/crhy.2005.06.010 PG 10 WC Astronomy & Astrophysics; Physics, Multidisciplinary SC Astronomy & Astrophysics; Physics GA 976DL UT WOS:000232712900004 ER PT J AU Lin, W Graham, AL Ingber, MS Abbott, JR Leggoe, JW AF Lin, W Graham, AL Ingber, MS Abbott, JR Leggoe, JW TI Hydrodynamic interaction of two neutrally-buoyant smooth spheres suspended in plane Poiseuille flow: the BEM simulations versus the MoR approximations SO COMPUTATIONAL MECHANICS LA English DT Article DE hydrodynamic interaction; boundary element method (BEM); method-of-reflection (MoR); olane Poiseuille flow; particle migration ID LOW-REYNOLDS-NUMBER; LINEAR SHEAR FIELD; SPHERICAL-PARTICLES; SELF-DIFFUSION; MULTIPARTICLE SYSTEMS; SUSPENSIONS; MOTION; RESISTANCE; SEDIMENTATION; DISPERSION AB The hydrodynamic interaction between two particles suspended in shear flows is fundamental to the macroscopic characterization of suspension flows. Although such interaction in quiescent or linear shear flow is well understood, studies on that in a nonlinear shear field are rare. In this study, the hydrodynamic interaction between two neutrally-buoyant smooth spheres moving at negligible Reynolds numbers in an unbounded plane Poiseuille flow has been calculated by three-dimensional boundary element method (BEM) simulations. The BEM results have been compared with the analytical results obtained with the method-of-reflection (MoR) approximations. The BEM simulations have been found to provide satisfactory predictions if the number of elements on the spheres are more than 200, whereas the MoR approximations provide satisfactory predictions only when the minimum separation between the spheres is relatively large although this MoR method has the advantage to easily calculate the hydrodynamic interaction between two spheres freely moving at negligible Reynolds numbers in unbounded quadratic flow by solving ordinary differential equations. Furthermore, it is found that there is a preferential cross-streamline migration of the center-of-gravity of the sphere-pair in the plane of shear in plane Poiseuille flow which does not arise in simple shear flow. This migration is always directed towards low shear regions when the sphere having larger translational velocity approaches the other sphere, and reverses towards high shear regions when the faster sphere leads the other sphere in the plane of shear. There is also a cross-streamline migration of the center-of-gravity of the sphere-pair in the plane of vorticity, but this migration does not have a preferential direction. These migrations are symmetric about the point where the spheres are at the minimum separation, and are only significant when the hydrodynamic interaction of the spheres is strong. These results show that the migration of the center-of-gravity of the sphere-pair can be attributed to the nonlinearity of the shear field, which agrees with the MoR approximations. The hydrodynamic interaction between the two spheres has been quantified under various conditions by the BEM simulations for both identical and disparate spheres. C1 Yunnan Normal Univ, Solar Energy Res Inst, Kunming 650092, Peoples R China. Los Alamos Natl Lab, ESA WMM, Los Alamos, NM 87545 USA. Univ New Mexico, Dept Mech Engn, Albuquerque, NM 87131 USA. Texas Tech Univ, Dept Chem Engn, Lubbock, TX 79401 USA. RP Lin, W (reprint author), Yunnan Normal Univ, Solar Energy Res Inst, Kunming 650092, Peoples R China. EM linwenxian@ynnu.edu.cn RI Lin, Wenxian/B-8514-2015 OI Lin, Wenxian/0000-0001-5264-2097 NR 25 TC 1 Z9 1 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0178-7675 J9 COMPUT MECH JI Comput. Mech. PD SEP PY 2005 VL 36 IS 4 BP 307 EP 319 DI 10.1007/s00466-005-0668-3 PG 13 WC Mathematics, Interdisciplinary Applications; Mechanics SC Mathematics; Mechanics GA 947DU UT WOS:000230624400006 ER PT J AU Du, S Ellingwood, BR Cox, JV AF Du, S Ellingwood, BR Cox, JV TI Initialization strategies in simulation-based SFE eigenvalue analysis SO COMPUTER-AIDED CIVIL AND INFRASTRUCTURE ENGINEERING LA English DT Article ID FINITE-ELEMENT ANALYSIS; RANDOM-FIELDS AB The efficiency of many eigensolution strategies is affected by the selection of the starting vector. Poor initializations often result in slow convergence, and in certain instances may lead to an incorrect or irrelevant answer. The problem of selecting an appropriate starting vector becomes even more complicated when the structure involved is characterized by properties that are random in nature. Here, a good initialization for one sample could be poor for another sample. Thus, the proper eigenvector initialization for uncertainty analysis involving Monte Carlo simulations is essential for efficient random eigenvalue analysis. Most simulation procedures to date have been sequential in nature, that is, a random vector to describe the structural system is simulated, a FE analysis is conducted, the response quantities are identified by post-processing, and the process is repeated until the standard error in the response of interest is within desired limits. A different approach is to generate all the sample (random) structures prior to performing any FE analysis, sequentially rank order them according to some appropriate measure of distance between the realizations, and perform the FE analyses in similar rank order, using the results from the previous analysis as the initialization for the current analysis. The sample structures may also be ordered into a tree-type data structure, where each node represents a random sample, the traverse of the tree starts from the root of the tree until every node in the tree is visited exactly once. This approach differs from the sequential ordering approach in that it uses the solution of the "closest" node to initialize the iterative solver. The computational efficiencies that result from such orderings (at a modest expense of additional data storage) are demonstrated through a stability analysis of a system with closely spaced buckling loads and the modal analysis of a simply supported beam. C1 Georgia Inst Technol, Dept Civil & Environm Engn, Atlanta, GA 30332 USA. Huaxin Insurance Brokers, Beijing, Peoples R China. Sandia Natl Labs, Mech & Mat Grp, Albuquerque, NM 87185 USA. RP Ellingwood, BR (reprint author), Georgia Inst Technol, Dept Civil & Environm Engn, Atlanta, GA 30332 USA. EM bruce.ellingwood@ce.gatech.edu NR 24 TC 6 Z9 6 U1 0 U2 0 PU BLACKWELL PUBLISHERS PI MALDEN PA 350 MAIN STREET, STE 6, MALDEN, MA 02148 USA SN 1093-9687 J9 COMPUT-AIDED CIV INF JI Comput.-Aided Civil Infrastruct. Eng. PD SEP PY 2005 VL 20 IS 5 BP 304 EP 315 DI 10.1111/j.1467-8667.2005.00398.x PG 12 WC Computer Science, Interdisciplinary Applications; Construction & Building Technology; Engineering, Civil; Transportation Science & Technology SC Computer Science; Construction & Building Technology; Engineering; Transportation GA 937GG UT WOS:000229912000002 ER PT J AU Schultz, E AF Schultz, E TI The human factor in security SO COMPUTERS & SECURITY LA English DT Editorial Material C1 Univ Calif Berkeley Lab, Berkeley, CA 94720 USA. RP Schultz, E (reprint author), Univ Calif Berkeley Lab, Berkeley, CA 94720 USA. EM eeugeneschultz2@aol.com NR 0 TC 22 Z9 22 U1 1 U2 10 PU ELSEVIER ADVANCED TECHNOLOGY PI OXFORD PA OXFORD FULFILLMENT CENTRE THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0167-4048 J9 COMPUT SECUR JI Comput. Secur. PD SEP PY 2005 VL 24 IS 6 BP 425 EP 426 DI 10.1016/j.cose.2005.07.002 PG 2 WC Computer Science, Information Systems SC Computer Science GA 972WU UT WOS:000232484800001 ER PT J AU Dong, SC Karniadakis, GE Karonis, NT AF Dong, SC Karniadakis, GE Karonis, NT TI Cross-site computations on the TeraGrid SO COMPUTING IN SCIENCE & ENGINEERING LA English DT Article ID WALL SHEAR; FLOW AB The TeraGrid's collective computing resources can help researchers perform very-large-scale simulations in computational fluid dynamics (CFD) applications, but doing so requires tightly coupled communications among different sites. The authors examine a scaled-down turbulent. flow problem, investigating the feasibility and scalability of cross-site simulation paradigms, targeting grand challenges such as blood flow in the entire human arterial tree. C1 Brown Univ, Div Appl Math, Providence, RI 02912 USA. No Illinois Univ, De Kalb, IL 60115 USA. Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. RP Dong, SC (reprint author), Brown Univ, Div Appl Math, Providence, RI 02912 USA. EM sdong@dam.brown.edu; gk@dam.brown.edu; karonis@niu.edu RI Dong, Suchuan/B-1529-2008; OI Dong, Suchuan/0000-0001-6778-0679 NR 17 TC 20 Z9 20 U1 0 U2 1 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1521-9615 J9 COMPUT SCI ENG JI Comput. Sci. Eng. PD SEP-OCT PY 2005 VL 7 IS 5 BP 14 EP 23 DI 10.1109/MCSE.2005.92 PG 10 WC Computer Science, Interdisciplinary Applications SC Computer Science GA 956CC UT WOS:000231275500005 ER PT J AU Harper, JK Barich, DH Heider, EM Grant, DM Franke, RR Johnson, JH Zhang, YG Lee, PL Von Dreele, RB Scott, B Williams, D Ansell, GB AF Harper, JK Barich, DH Heider, EM Grant, DM Franke, RR Johnson, JH Zhang, YG Lee, PL Von Dreele, RB Scott, B Williams, D Ansell, GB TI A combined solid-state NMR and X-ray powder diffraction study of a stable polymorph of paclitaxel SO CRYSTAL GROWTH & DESIGN LA English DT Article ID CRYSTAL-STRUCTURE; HIGHLY EFFICIENT; TAXOL; NUCLEAR; COMPLEX; C-13 AB Solid-state NMR (SSNMR) and X-ray powder diffraction (XRPD) allow a study of a novel and stable polymorph of paclitaxel (Taxol) with two molecules per asymmetric unit (Z') in the P2(1)2(1)2(1) space group. The asymmetric unit volume is 2167 angstrom(3), about four times larger than that previously characterized in combined XRPD/ SSNMR studies. The method, employing SSNMR constraints, allows the XRPD Rietveld analysis to establish many of the lattice details that otherwise would be unavailable. NMR structural constraints are provided by isotropic shifts and three-dimensional (3D) chemical shift tensors (CST), which are determined by ab initio quantum mechanical calculations. CST data give highly sensitive information on short-range structural features such as intra-atomic distances (particularly for proton positions that are undetermined with XRPD methods) and short-range valence angles that exhibit relatively poor sensitivity in reasonably large microcrystalline powders. Conversely, space group symmetry, unit cell volumes, long-range cell dimensions, and dihedral angles of extended chains are estimated with XRPD measurements. Corroboration of many structural parameters by combined quantum mechanical, SSNMR, and XRPD results indicate the efficacy of these combined approaches in relatively sizable microcrystalline powders. The population of the asymmetric unit, Z' = 2 is clearly observed even in the one-dimensional isotropic C-13 spectra, which also confirmed the stability of the polymorph over a three-year period. This structural determination depends specifically on the agreement between previous SSNMR CSTs and single crystal results for baccatin, the rigid part of paclitaxel. Hence, CST data provide a reasonable initial model for the early iterative steps of a Rietveld analysis of XRPD data for a new polymorph of Taxol. C1 Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA. Nat Pharmaceut Inc, Beverly, MA 01915 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Harper, JK (reprint author), Univ Utah, Dept Chem, 315 S 1400 East, Salt Lake City, UT 84112 USA. RI Scott, Brian/D-8995-2017 OI Scott, Brian/0000-0003-0468-5396 NR 38 TC 15 Z9 15 U1 2 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD SEP-OCT PY 2005 VL 5 IS 5 BP 1737 EP 1742 DI 10.1021/cg030074x PG 6 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA 962XT UT WOS:000231767400017 ER PT J AU Raring, JW Skogen, EJ Barton, JS Wang, CS DenBaars, SP Coldren, LA AF Raring, JW Skogen, EJ Barton, JS Wang, CS DenBaars, SP Coldren, LA TI Quantum well intermixing and MOCVD regrowth for monolithic integration of 40 Gbit/s UTC type photodiodes with OW based components SO ELECTRONICS LETTERS LA English DT Article AB A novel fabrication method for uni-travelling carrier (UTC) type photodiodes using quantum well (QW) intermixing and MOCVD regrowth is presented. This scheme will enable the monolithic integration of the photodiodes with high gain laser diodes, high efficiency electroabsorption modulators, and high saturation power semiconductor optical amplifiers. The photodiodes fabricated on intermixed quantum wells presented exhibit excellent photocurrent handling capabilities, minimal response roll-off over the 20 GHz of the testing capability, and open 40 Gbit/s eye diagrams. C1 Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. Univ Calif Santa Barbara, Dept Elect & Comp Engn, Santa Barbara, CA 93106 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Raring, JW (reprint author), Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. EM jraring@engineering.ucsb.edu NR 4 TC 4 Z9 4 U1 0 U2 0 PU IEE-INST ELEC ENG PI HERTFORD PA MICHAEL FARADAY HOUSE SIX HILLS WAY STEVENAGE, HERTFORD SG1 2AY, ENGLAND SN 0013-5194 J9 ELECTRON LETT JI Electron. Lett. PD SEP 1 PY 2005 VL 41 IS 18 BP 1033 EP 1034 DI 10.1049/el:20051879 PG 2 WC Engineering, Electrical & Electronic SC Engineering GA 970UN UT WOS:000232336800030 ER PT J AU Kemner, KM O'Loughlin, EJ Kelly, SD Boyanov, MI AF Kemner, KM O'Loughlin, EJ Kelly, SD Boyanov, MI TI Synchrotron X-ray investigations of mineral-microbe-metal interactions SO ELEMENTS LA English DT Article DE X-ray; XAFS; X-ray microscopy; geomicrobiology; biogeochemistry ID BACILLUS-SUBTILIS; GREEN RUST; CELL-WALL; ABSORPTION; ADSORPTION; SURFACE; BIOREDUCTION; REDUCTION; BIOFILMS; SYSTEMS AB Interactions between microbes and minerals can play an important role in metal transformations (i.e. changes to an element's valence state, coordination chemistry, or both), which can ultimately affect that element's mobility. Mineralogy affects microbial metabolism and ecology in a system; microbes, in turn, can affect the system's mineralogy. Increasingly, synchrotron-based X-ray experiments are in routine use for determining an element's valence state and coordination chemistry, as well as for examining the role of microbes in metal transformations. C1 Argonne Natl Lab, Div Environm Res, Argonne, IL 60439 USA. RP Kemner, KM (reprint author), Argonne Natl Lab, Div Environm Res, 9700 S Cass Ave, Argonne, IL 60439 USA. EM kemner@anl.gov RI O'Loughlin, Edward/C-9565-2013; ID, MRCAT/G-7586-2011 OI O'Loughlin, Edward/0000-0003-1607-9529; NR 30 TC 16 Z9 16 U1 3 U2 14 PU MINERALOGICAL SOC AMER PI WASHINGTON PA 1015 EIGHTEENTH ST, NW SUITE 601, WASHINGTON, DC 20036 USA SN 1811-5209 J9 ELEMENTS JI Elements PD SEP PY 2005 VL 1 IS 4 BP 217 EP 221 DI 10.2113/gselements.1.4.217 PG 5 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 010DG UT WOS:000235166500010 ER PT J AU Villalobos, M Bargar, J Sposito, G AF Villalobos, M Bargar, J Sposito, G TI Trace metal retention on biogenic manganese oxide nanoparticles SO ELEMENTS LA English DT Article DE biogenic manganese oxides; metal sorption reactions; trace metals; X-ray absorption spectroscopy ID PB(II) SORPTION; PB ADSORPTION; MN OXIDES; FE-OXIDES; MECHANISMS; BIRNESSITE; DISCOPHORA; OXIDATION; PRODUCTS; BIOFILMS AB Manganese oxides produced by microorganisms are abundant environmental nanoparticles whose high retention capacity for toxic trace metals, especially lead, is well established. Until very recently, our knowledge of the molecular-scale structure and reactivity of these biogenic Mn4+ oxide minerals were inferred from studies of synthetic analogues prepared in the laboratory. However, biogenic Mn oxides and their reactions with trace metals now can be investigated directly using X-ray absorption spectroscopy, thus bringing new insights into the molecular mechanisms behind the very high scavenging efficiency of these minerals. This new knowledge has important implications for the remediation of trace metal contamination. C1 Univ Nacl Autonoma Mexico, Environm Biogeochem Grp, LAFQA, Inst Geog, Mexico City 04510, DF, Mexico. Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. Univ Calif Berkeley, Environm Geochem Grp, Div Ecosyst Sci, Berkeley, CA 94720 USA. RP Villalobos, M (reprint author), Univ Nacl Autonoma Mexico, Environm Biogeochem Grp, LAFQA, Inst Geog, Mexico City 04510, DF, Mexico. EM marvilla@igiris.igeograf.unam.mx RI Villalobos, Mario/A-1203-2007 NR 35 TC 44 Z9 49 U1 5 U2 33 PU MINERALOGICAL SOC AMER PI WASHINGTON PA 1015 EIGHTEENTH ST, NW SUITE 601, WASHINGTON, DC 20036 USA SN 1811-5209 J9 ELEMENTS JI Elements PD SEP PY 2005 VL 1 IS 4 BP 223 EP 226 DI 10.2113/gselements.1.4.223 PG 4 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 010DG UT WOS:000235166500011 ER PT J AU Wu, XX Schwartz, V Overbury, SH Armstrong, TR AF Wu, XX Schwartz, V Overbury, SH Armstrong, TR TI Desulfurization of gaseous fuels using activated carbons as catalysts for the selective oxidation of hydrogen sulfide SO ENERGY & FUELS LA English DT Article ID TEMPERATURE H2S REMOVAL; CONTAINING GAS-MIXTURES; MIXED-OXIDE CATALYSTS; ELEMENTAL SULFUR; NATURAL-GAS; MICROPOROUS CARBONS; CELL APPLICATION; EXCESS WATER; METAL-OXIDES; OXYGEN AB The removal of low concentrations of hydrogen sulfide (H2S) from hydrogen-rich gaseous fuels by selective catalytic oxidation, using activated carbon as the catalyst, was studied. The capacities of four activated carbons for reducing the H2S concentration down to the parts per billion (ppb) level were determined to be strongly related to their microstructures and impurities, even though their activity and selectivity were strongly dependent on the test conditions, such as reaction temperature, O-2:H2S ratio, space velocity, and length-to-diameter (L/D) ratio of the catalyst bed. Because the side reactions that form COS and SO2 are sometimes unavoidable under real fuel processing conditions, the complete and exclusive conversion of H2S to elemental sulfur (S) requires that activated carbon has catalytic activities not only for the oxidation of H2S, but also for the oxidation of COS and the reaction between H2S and SO2. Because one of the activated carbons (sample W-22) had such catalytic functions and a relatively large capacity of trapping sulfur in its micropores, this carbon showed a combination of excellent activity and selectivity on removing H2S from both hydrogen and simulated reformate streams at a reaction temperature of similar to 150 degrees C. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Wu, XX (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM wux@ornl.gov RI Overbury, Steven/C-5108-2016 OI Overbury, Steven/0000-0002-5137-3961 NR 46 TC 25 Z9 27 U1 2 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD SEP-OCT PY 2005 VL 19 IS 5 BP 1774 EP 1782 DI 10.1021/ef0500890 PG 9 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 967BU UT WOS:000232067300002 ER PT J AU Baltrus, JP Gormley, RJ Link, DD AF Baltrus, JP Gormley, RJ Link, DD TI Potential for sulfur contamination of low-sulfur fuels when contacting surfaces previously exposed to high-sulfur fuels during their storage and handling SO ENERGY & FUELS LA English DT Article ID SELF-ASSEMBLED MONOLAYERS; DEPOSIT FORMATION; HYDROCARBONS; ADSORPTION; OXIDATION; COPPER; FILMS; METAL AB The adsorption of sulfur compounds from high-sulfur fuels onto metal surfaces and their propensity for subsequent desorption when the metal then contacts a low-sulfur fuel were measured for carbon and stainless steels, copper, and a copper-nickel alloy. Treatments were carried out in a variety of liquid fuels with a large range of sulfur concentrations. Of the common metals that come in contact with fuels, copper alloys had the greatest potential for contributing to sulfur contamination because of the high sulfur adsorption/desorption activity of copper. Carbon steel, which is the primary material for pipelines transporting finished fuels, shows virtually no potential for causing contamination of low-sulfur fuels, while stainless steel is only slightly more active. Polymeric materials, such as fiberglass-reinforced plastic, which is a common material used for manufacturing fuel storage tanks, have a greater potential for sulfur contamination of fuels than most metals, because fuel can be adsorbed and released from the polymeric framework of the material as it swells and shrinks. C1 US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Baltrus, JP (reprint author), US DOE, Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA. EM baltrus@netl.doe.gov NR 24 TC 0 Z9 0 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD SEP-OCT PY 2005 VL 19 IS 5 BP 2148 EP 2154 DI 10.1021/ef050024x PG 7 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 967BU UT WOS:000232067300051 ER PT J AU Greene, DL Patterson, PD Singh, M Li, J AF Greene, DL Patterson, PD Singh, M Li, J TI Feebates, rebates and gas-guzzler taxes: a study of incentives for increased fuel economy (vol 33, pg 757, 2005) SO ENERGY POLICY LA English DT Correction C1 Oak Ridge Natl Lab, Natl Transportat Res Ctr, Knoxville, TN 37932 USA. US DOE, Off Planning Budget Formulat & Anal, Washington, DC 20585 USA. Argonne Natl Lab, Washington, DC 20024 USA. Univ Tennessee, Natl Transportat Res Ctr, Knoxville, TN 37932 USA. RP Greene, DL (reprint author), Oak Ridge Natl Lab, Natl Transportat Res Ctr, 2360 Cherahala Blvd, Knoxville, TN 37932 USA. EM dlgreene@ornl.gov; philip.patterson@ee.doe.gov; singhm@anl.gov; lij1@ornl.gov NR 1 TC 4 Z9 4 U1 0 U2 2 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 J9 ENERG POLICY JI Energy Policy PD SEP PY 2005 VL 33 IS 14 BP 1901 EP 1902 DI 10.1016/j.enpol.2004.12.002 PG 2 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 939LV UT WOS:000230075200012 ER PT J AU Ingber, MS Tanskin, JA AF Ingber, MS Tanskin, JA TI A parallel domain decomposition BEM for diffusion problems with surface reactions SO ENGINEERING ANALYSIS WITH BOUNDARY ELEMENTS LA English DT Article DE surface reaction; diffusion equation; Schwarz Neumann-Neumann iteration; particular solution method ID BOUNDARY-ELEMENT FORMULATION; LINEAR HEAT-CONDUCTION; DIFFERENTIAL-EQUATIONS; RADIATION; BODIES; SYSTEM AB A parallel domain decomposition boundary element method (BEM) is developed for the solution of three-dimensional multispecies diffusion problems. The chemical species are uncoupled in the interior of the domain but couple at the boundary through a nonlinear surface reaction equation. The method of lines is used whereby time is discretized using the finite difference method and space is discretized using the boundary element method. The original problem is transformed into a sequence of nonhomogeneous modified Helmhol.tz equations. A Schwarz Neumann-Neumann iteration scheme is used to satisfy interfacial boundary conditions between, subdomains. A segregated solver based on a quasi-predictor-corrector time integratoris used to satisfy the nonlinear boundary conditions on the reactive surfaces. The accuracy and parallel efficiency of the method is demonstrated through a benchmark problem. (C) 2005 Elsevier Ltd. All rights reserved. C1 Univ New Mexico, Dept Mech Engn, Albuquerque, NM 87131 USA. Los Alamos Natl Lab, Engn Sci & Applicat Div, Los Alamos, NM 87545 USA. RP Ingber, MS (reprint author), Univ New Mexico, Dept Mech Engn, Albuquerque, NM 87131 USA. EM ingber@me.unm.edu NR 26 TC 1 Z9 1 U1 0 U2 2 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0955-7997 J9 ENG ANAL BOUND ELEM JI Eng. Anal. Bound. Elem. PD SEP PY 2005 VL 29 IS 9 BP 878 EP 885 DI 10.1016/j.enganabound.2005.05.004 PG 8 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 960LM UT WOS:000231592100005 ER PT J AU Taboada-Serrano, P Vithayaveroj, V Yiacoumi, S Tsouris, C AF Taboada-Serrano, P Vithayaveroj, V Yiacoumi, S Tsouris, C TI Surface charge heterogeneities measured hy atomic force microscopy SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID COLLOIDAL PARTICLES; POROUS-MEDIA; DEPOSITION; SORPTION; REENTRAINMENT; NONUNIFORMITY; AGGREGATION; ADSORPTION; CHEMISTRY; ROUGHNESS AB Unfavorable aggregation and deposition of colloidal particles in natural and engineered systems is still a subject of debate. Complicating factors such as surface roughness, secondary minimum aggregation, and the nature of discrete surface charge and surface potential make it difficult to attribute a specific cause to these phenomena. The presence of surface charge heterogeneity and its influence on interaction forces, which are responsible for aggregation and deposition, are studied in this work through the application of atomic force microscopy (AFM) Force-volume-mode AFM was used to map interaction forces on a surface and relate them to surface charge heterogeneities. The experimental system consisted of a silica plate and a standard silicon nitride AFM tip. Copper ions were used for sorption on the silica surface in order to modify the surface charge and cause charge reversal. Different concentrations of copper ions were selected to identify conditions of partial coverage of the silica surface. The pH and ionic strength of the solutions were varied, and the extension of the surface charge modification and its influence on the resulting interaction forces were monitored via AFM force measurements. Depending on the pH and ionic strength, the interaction force was found to change at certain regions on the surface from attraction to either weak or strong repulsion. Force imaging allowed the visual localization of zones of strong repulsive interaction that diminished in size with increasing ionic strength. X-ray photoelectron spectroscopy analysis was used to confirm the presence of copper on the surface. Local charge differences on a surface result in local differences in surface forces, not only in magnitude but also in direction. This behavior may explain the aggregation, deposition, and transport of colloidal particles under unfavorable chemical conditions. C1 Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Yiacoumi, S (reprint author), Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA. EM syiacoumi@ce.gatech.edu RI Taboada-Serrano, Patrica/F-4745-2012; Tsouris, Costas/C-2544-2016 OI Tsouris, Costas/0000-0002-0522-1027 NR 35 TC 35 Z9 38 U1 4 U2 32 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 SEP 1 PY 2005 VL 39 IS 17 BP 6352 EP 6360 DI 10.1021/es050100a PG 9 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 962ID UT WOS:000231723800015 PM 16190187 ER PT J AU Kulkarni, P Sureshkumar, R Biswas, P AF Kulkarni, P Sureshkumar, R Biswas, P TI Hierarchical approach to model multilayer colloidal deposition in porous media SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID RANDOM SEQUENTIAL ADSORPTION; IRREVERSIBLE DEPOSITION; LOCALIZED ADSORPTION; PARTICLE DEPOSITION; RETAINED PARTICLES; SURFACES; SIMULATION; MORPHOLOGY; DYNAMICS; SUSPENSIONS AB Particle deposition is important in many environmental systems such as water and wastewater filtration, air pollution control, subsurface transport, biofilm formation and fouling, and thin film synthesis for use in remediation technologies. While continuum-level models have been developed to predict deposition dynamics in these systems, these models fail to explain transient dynamics of multilayer deposition from a mechanistic viewpoint. In this work, a multiscale approach has been developed to predict multiple layer irreversible colloidal deposition in the presence of interparticle electrostatic and van der Waals interactions in porous media. The approach combines the kinetic information obtained from the mesoscopic stochastic simulations of particle deposition with the macroscopic conservation equation describing colloidal transport. Sequential Brownian dynamics simulations are first performed by accounting for particle-particle (P-P) and particle-surface (P-S) interactions, and multilayered particle deposits are obtained. The available surface function quantifying the deposition kinetics is then obtained from the deposit microstructure. Deposition dynamics are studied at different ionic strengths and particle potentials that control the range and magnitude of interparticle interactions. Simulation results showed that the microstructure of the particle deposits formed under the influence of P-P and P-S electrostatic interactions exhibited significant variations with respect to ionic strength and could be qualitatively explained by the interplay between the repulsive and attractive P-P and P-S interaction forces. The available surface function also varied significantly as a function of ionic strength. This basic understanding of the deposition dynamics at the mesoscale was then combined with the continuum-level transport equations to predict particle breakthrough curves in porous media. The approach is capable of capturing transient features of deposition dynamics, as demonstrated by the good agreement between the model predictions and the experimental observations. C1 Washington Univ, Dept Chem Engn, St Louis, MO 63130 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. RP Biswas, P (reprint author), Washington Univ, Dept Chem Engn, Campus Box 1180, St Louis, MO 63130 USA. EM Pratim.Biswas@wustl.edu NR 33 TC 10 Z9 10 U1 0 U2 12 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 SEP 1 PY 2005 VL 39 IS 17 BP 6361 EP 6370 DI 10.1021/es0500557 PG 10 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 962ID UT WOS:000231723800016 PM 16190188 ER PT J AU Voegelin, A Pfister, S Scheinost, AC Marcus, MA Kretzschmar, R AF Voegelin, A Pfister, S Scheinost, AC Marcus, MA Kretzschmar, R TI Changes in zinc speciation in field soil after contamination with zinc oxide SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID RAY-ABSORPTION SPECTROSCOPY; FINE-STRUCTURE SPECTROSCOPY; EXAFS SPECTROSCOPY; ZN; COMPLEXATION; MECHANISMS; SORPTION; HYDROTALCITE; EXTRACTIONS; INTERFACE AB Recent studies on the speciation of Zn in contaminated soils confirmed the formation of Zn-layered double hydroxide (LDH) and Zn-phyllosilicate phases. However, no information on the kinetics of the formation of those phases under field conditions is currently available. In the present study, the transformation of Zn in a field soil artificially contaminated with ZnO containing filter dust from a brass foundry was monitored during 4 years using extended X-ray absorption fine structure (EXAFS) spectroscopy. Soil sections were studied by mu-X-ray fluorescence (mu-XRF) and mu-EXAFS spectroscopy. EXAFS spectra were analyzed by principal component analysis (PCA) and linear combination fitting (LCF). The results show that ZnO dissolved within 9 months and that half of the total Zn reprecipitated. The precipitate was mainly of the ZnLDH type (> 75%). Only a minor fraction (< 25%) may be of Zn-phyllosilicate type. The remaining Zn was adsorbed to soil organic and inorganic particles. No significant changes in Zn speciation occurred from 9 to 47 months after the contamination. Thermodynamic calculations show that both Zn-LDH and Zn-phyllosilicate may form in the presence of ZnO but that the formation of Zn-phyllosilicate would be thermodynamically favored. Thus, the dominance of Zn-LDH found by spectroscopy suggests that the formation of the Zn precipitates was not solely controlled by thermodynamics but also contained a kinetic component. The rate-limiting step could be the supply of Al and Si from soil minerals to the Zn-rich solutions around dissolving ZnO grains. C1 ETH, Inst Terr Ecol, Zurich, Switzerland. Forschungszentrum Rossendorf EV, Inst Radiochem, Dresden, Germany. Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Voegelin, A (reprint author), ETH, Inst Terr Ecol, Zurich, Switzerland. EM voegelin@env.ethz.ch RI Voegelin, Andreas/B-4018-2009; The Rossendorf Beamline at ESRF, ROBL/A-2586-2011; Scheinost, Andreas/D-2275-2010; Kretzschmar, Ruben/B-4579-2016 OI Voegelin, Andreas/0000-0003-2873-8966; Kretzschmar, Ruben/0000-0003-2587-2430 NR 32 TC 132 Z9 137 U1 7 U2 48 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 SEP 1 PY 2005 VL 39 IS 17 BP 6616 EP 6623 DI 10.1021/es047962g PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 962ID UT WOS:000231723800047 PM 16190219 ER PT J AU Macleod, M Mckone, TE Mackay, D AF Macleod, M Mckone, TE Mackay, D TI Mass balance for mercury in the San Francisco Bay Area SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID ATMOSPHERIC TRANSPORT; CHEMICAL FATE; UNITED-STATES; SCALE MODELS; TRANSFORMATION; DEPOSITION; DYNAMICS; SOILS AB We have developed and illustrated a general regional multi-species model that describes the fate and transport of mercury in three forms, elemental, divalent, and methylated, in a generic regional environment including air, soil, vegetation, water, and sediment. The objectives of the model are to describe the fate of the three forms of mercury in the environment and to determine the dominant physical sinks that remove mercury from the system. Chemical transformations between the three groups of mercury species are modeled by assuming constant ratios of species concentrations in individual environmental media. We illustrate and evaluate the model with an application to describe the fate and transport of mercury in the San Francisco Bay Area of California. The model successfully rationalizes the identified sources with observed concentrations of total mercury and methyl mercury in the San Francisco Bay Estuary. The mass balance provided by the model indicates that continental and global background sources control mercury concentrations in the atmosphere but that loadings to water in the San Francisco Bay Estuary are dominated by runoff from the Central Valley catchment and remobilization of contaminated sediments deposited during past mining activities. The model suggests that the response time of mercury concentrations in the San Francisco Bay Estuary to changes in loadings is long, on the order of 50 years. C1 Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. ETH Honggerberg, Swiss Fed Inst Technol, Inst Chem & Bioengn, Zurich, Switzerland. Univ Calif Berkeley, Sch Publ Hlth, Berkeley, CA 94720 USA. Trent Univ, Canadian Environm Modeling Ctr, Peterborough, ON K9J 7B8, Canada. RP Macleod, M (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,90R3058, Berkeley, CA 94720 USA. EM macleod@chem.ethz.ch RI MacLeod, Matthew/D-5919-2013 OI MacLeod, Matthew/0000-0003-2562-7339 FU NIEHS NIH HHS [P42 ES004705-160026, P42 ES004705, P42ES04705-16] NR 33 TC 38 Z9 40 U1 1 U2 18 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 SEP 1 PY 2005 VL 39 IS 17 BP 6721 EP 6729 DI 10.1021/es050112w PG 9 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 962ID UT WOS:000231723800060 PM 16190232 ER PT J AU Macleod, M Riley, WJ Mckone, TE AF Macleod, M Riley, WJ Mckone, TE TI Assessing the influence of climate variability on atmospheric concentrations of polychlorinated biphenyls using a global-scale mass balance model (BETR-global) SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID PERSISTENT ORGANIC POLLUTANTS; HISTORICAL EMISSION INVENTORY; NORTH-ATLANTIC OSCILLATION; PCB CONGENERS; TRANSPORT; FATE; AMERICA; REANALYSIS AB We introduce a new global-scale multimedia contaminant fate model (the Berkeley-Trent Global Model; BETR-Global) that integrates global climate data from the National Centers for Environmental Prediction (NCEP). BETR-Global represents the global environment as a connected set of 288 multimedia regions on a 150 grid. We evaluate the model by simulating the global fate and transport of seven PCB congeners over a 70 year period and find satisfactory agreement between model output and observations of atmospheric PCB concentrations at 11 long-term monitoring stations in the Northern Hemisphere. We demonstrate the use of the model as a tool for understanding global pollutant dynamics by examining the hypothesis that variability in global-scale climate conditions, as reflected by the North Atlantic Oscillation (NAO), influences atmospheric PCB concentrations in the Northern Hemisphere. We estimate that the maximum variability in atmospheric PCB concentrations attributable to NAO variability is approximately a factor of 2. The influence of variability in the NAO on PCB concentrations in air is most likely to be observed in the winter and spring at monitoring sites in Northern Europe and the Arctic. Analysis of long-term monitoring data from 11 sites shows some statistically significant relationships between NAO indices and atmospheric PCB concentrations during the winter and spring. Giving consideration to competing factors that influence atmospheric PCB concentrations, longer time series of monitoring data are required to fully evaluate the modeling results and to improve our understanding of the role of climate variability on the long-term fate of persistent semivolatile pollutants. C1 Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. ETH Honggerberg, Swiss Fed Inst Technol, Inst Chem & Bioengn, CH-8093 Zurich, Switzerland. Univ Calif Berkeley, Sch Publ Hlth, Berkeley, CA 94720 USA. RP Macleod, M (reprint author), Lawrence Berkeley Natl Lab, Environm Energy Technol Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM macleod@chem.ethz.ch RI MacLeod, Matthew/D-5919-2013; Riley, William/D-3345-2015 OI MacLeod, Matthew/0000-0003-2562-7339; Riley, William/0000-0002-4615-2304 NR 28 TC 83 Z9 90 U1 3 U2 36 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 SEP 1 PY 2005 VL 39 IS 17 BP 6749 EP 6756 DI 10.1021/es048426r PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 962ID UT WOS:000231723800063 PM 16190235 ER PT J AU Lwin, T Takeda, T Wu, J Sunaguchi, N Yuasa, T Dilmanian, A Minami, M Akatsuka, T AF Lwin, T. Takeda, T. Wu, J. Sunaguchi, N. Yuasa, T. Dilmanian, A. Minami, M. Akatsuka, T. TI Evaluation of fatty acid metabolic abnormality by fluorescent x-ray computed tomography for cardiomyopathy SO EUROPEAN JOURNAL OF NUCLEAR MEDICINE AND MOLECULAR IMAGING LA English DT Meeting Abstract C1 [Lwin, T.; Takeda, T.; Wu, J.; Minami, M.] Univ Tsukuba, Tsukuba, Ibaraki, Japan. [Sunaguchi, N.; Yuasa, T.; Akatsuka, T.] Yamagata Univ, Yonezawa, Yamagata, Japan. [Dilmanian, A.] Brookhaven Natl Lab, Upton, NY 11973 USA. RI Yuasa, Tetsuya/F-5006-2013 NR 0 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1619-7070 J9 EUR J NUCL MED MOL I JI Eur. J. Nucl. Med. Mol. Imaging PD SEP PY 2005 VL 32 SU 1 BP S263 EP S263 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA V29JQ UT WOS:000208745101610 ER PT J AU van Milligen, BP Bons, PD Carreras, BA Sanchez, R AF van Milligen, BP Bons, PD Carreras, BA Sanchez, R TI On the applicability of Fick's law to diffusion in inhomogeneous systems SO EUROPEAN JOURNAL OF PHYSICS LA English DT Article ID ANOMALOUS TRANSPORT; RANDOM-WALKS; EQUATION; MOTION AB Two alternative expressions exist for the diffusive flux in inhomogeneous systems: Fick's law and the Fokker-Planck law. Here we re-examine the origin of these expressions and perform numerical and physical experiments to shed light on this duality. We conclude that in general the Fokker-Planck expression should be conceded preference, in spite of the fact that Fick's law seems to be more popular. C1 EURATOM, CIEMAT Fus, Madrid 28040, Spain. Univ Tubingen, Inst Geowissensch, D-72076 Tubingen, Germany. Oak Ridge Natl Lab, Fus Energy Div, Oak Ridge, TN 37831 USA. Univ Carlos III, Dept Fis, Leganes 28911, Spain. RP EURATOM, CIEMAT Fus, Avda Complutense 22, Madrid 28040, Spain. RI Sanchez, Raul/C-2328-2008; Bons, Paul/F-2942-2011; van Milligen, Boudewijn/H-5121-2015 OI Bons, Paul/0000-0002-6469-3526; van Milligen, Boudewijn/0000-0001-5344-6274 NR 19 TC 32 Z9 32 U1 0 U2 10 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0143-0807 EI 1361-6404 J9 EUR J PHYS JI Eur. J. Phys. PD SEP PY 2005 VL 26 IS 5 BP 913 EP 925 DI 10.1088/0143-0807/26/5/023 PG 13 WC Education, Scientific Disciplines; Physics, Multidisciplinary SC Education & Educational Research; Physics GA 970PK UT WOS:000232321900033 ER PT J AU Shneidman, TM Jolos, RV Krucken, R Aprahamian, A Cline, D Cooper, JR Cromaz, M Clark, RM Hutter, C Macchiavelli, AO Scheid, W Stoyer, MA Wu, CY AF Shneidman, TM Jolos, RV Krucken, R Aprahamian, A Cline, D Cooper, JR Cromaz, M Clark, RM Hutter, C Macchiavelli, AO Scheid, W Stoyer, MA Wu, CY TI E2 transitions between positive- and negative-parity states of the ground-state alternating-parity bands SO EUROPEAN PHYSICAL JOURNAL A LA English DT Article ID OCTUPOLE COLLECTIVITY; DINUCLEAR SYSTEM; BARIUM ISOTOPES; NEUTRON-RICH; HEAVY-NUCLEI; DEFORMATION; QUADRUPOLE; GD-152; ND-148; MODEL AB Experimental transition probabilities between states of the ground-state alternating-parity bands of Ba-144 and their theoretical analysis are presented. Lifetimes of states in (144) Ba have been measured using the recoil distance method following spontaneous fission of Cf-252. The experiment was performed at the Lawrence Berkeley National Laboratory employing the Gammasphere array and the New Yale Plunger Device. The experimental data show a significantly larger value of the E2 transition probability between the negative-parity states compared to the positive-parity ones. It is shown that this effect can be explained by a higher weight of the deformed component in the wave functions of the odd-I states. In the framework of the cluster approach it is explained by a higher weight of the alpha-cluster component in the wave function of the negative-parity states compared to the positive-parity ones. In the framework of the traditional collective model with the quadrupole and octupole degrees of freedom the same effect is explained by a higher value of the quadrupole deformation at the minima of the potential energy as a function of beta(20) and beta(30) compared to its value at the top of the barrier separating two physically equivalent minima, having opposite signs of the octupole deformation. Additionally, the dependence on parity of the E2 transition probability is analyzed qualitatively in nuclei with a minimum at beta(30) = 0 in the collective potential energy and compared to experimental data for Nd-148. C1 Joint Inst Nucl Res, Dubna 141980, Russia. Univ Giessen, Inst Theoret Phys, D-35392 Giessen, Germany. Tech Univ Munich, Phys Dept E12, D-85747 Garching, Germany. Yale Univ, AW Wright Nucl Struct Lab, New Haven, CT 06520 USA. Univ Notre Dame, Nucl Struct Lab, Notre Dame, IN 46556 USA. Univ Rochester, Nucl Struct Res Lab, Rochester, NY 14627 USA. Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Shneidman, TM (reprint author), Joint Inst Nucl Res, Dubna 141980, Russia. EM jolos@thsun1.jinr.ru RI Kruecken, Reiner/A-1640-2013 OI Kruecken, Reiner/0000-0002-2755-8042 NR 28 TC 6 Z9 6 U1 1 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1434-6001 J9 EUR PHYS J A JI Eur. Phys. J. A PD SEP PY 2005 VL 25 IS 3 BP 387 EP 396 DI 10.1140/epja/i2005-10134-y PG 10 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 975WB UT WOS:000232693700009 ER PT J AU Biasini, M Gann, RD Pfeiffer, LN West, KW Gao, XPA Williams, BCD Yarmoff, JA Mills, AP AF Biasini, M Gann, RD Pfeiffer, LN West, KW Gao, XPA Williams, BCD Yarmoff, JA Mills, AP TI Contactless gating, surface charging and illumination effects in a buried Al0.24Ga0.76As/GaAs quantum well structure SO EUROPEAN PHYSICAL JOURNAL B LA English DT Article ID MOLECULAR-BEAM EPITAXY; IMAGE-POTENTIAL STATES; ELECTRON-ATTACHMENT; 2 DIMENSIONS; GAAS; TRANSITION; FE(110); FILMS; XE; KR AB The conductivity of an Al0.24Ga0.76As/GaAs quantum well was studied as a function of the surface charge generated by electron bombardment of the sample in the absence of an externally applied surface electric field. Under a suitable rate of electron irradiation, it was possible to completely shut off the conductive channel, implying a surface density n = 2.5 x 10(11) el/cm(2). Light illumination quenches the increase of the resistivity, apparently due to photoemission from the metastable surface states. Upon turning off the electron bombardment the surface charge on adsorbed layers of xenon and water at 8 K decays in room temperature darkness with a lifetime tau = 0.30 +/- 0.02 s. The average charging efficiency, is mu(0) similar or equal to 0.001. Surface charging is shown to be an effective method for contactless gating of field effect devices. C1 Univ Calif Riverside, Dept Phys, Riverside, CA 92521 USA. ENEA, I-40129 Bologna, Italy. Bell Labs, Lucent Technol, Murray Hill, NJ 07974 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Biasini, M (reprint author), Univ Calif Riverside, Dept Phys, Riverside, CA 92521 USA. EM biasini@physics.ucr.edu NR 31 TC 1 Z9 1 U1 1 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1434-6028 J9 EUR PHYS J B JI Eur. Phys. J. B PD SEP PY 2005 VL 47 IS 2 BP 305 EP 314 DI 10.1140/epjb/e2005-00326-9 PG 10 WC Physics, Condensed Matter SC Physics GA 973CD UT WOS:000232499600019 ER PT J AU Chekanov, S Derrick, M Magill, S Miglioranzi, S Musgrave, B Repond, J Yoshida, R Mattingly, MCK Pavel, N Molina, AGY Antonioli, P Bari, G Basile, M Bellagamba, L Boscherini, D Bruni, A Bruni, G Romeo, GC Cifarelli, L Cindolo, F Contin, A Corradi, M De Pasquale, S Giusti, P Iacobucci, G Margotti, A Montanari, A Nania, R Palmonari, F Pesci, A Polini, A Rinaldi, L Sartorelli, G Zichichi, A Aghuzumtsyan, G Bartsch, D Brock, I Goers, S Hartmann, H Hilger, E Irrgang, P Jakob, HP Kind, OM Meyer, U Paul, E Rautenberg, J Renner, R Voss, KC Wang, M Wlasenko, M Bailey, DS Brook, NH Cole, JE Heath, GP Namsoo, T Robins, S Capua, M Fazio, S Mastroberardino, A Schioppa, M Susinno, G Tassi, E Kim, JY Ma, KJ Helbich, M Ning, Y Ren, Z Schmidke, WB Sciulli, F Chwastowski, J Eskreys, A Figiel, J Galas, A Olkiewicz, K Stopa, P Szuba, D Zawiejski, L Adamczyk, L Bold, T Grabowska-Bold, I Kisielewska, D Lukasik, J Przybycien, M Suszycki, L Szuba, J Kotanski, A Slominski, W Adler, V Behrens, U Bloch, I Borras, K Drews, G Fourletova, J Geiser, A Gladkov, D Gottlicher, P Gutsche, O Haas, T Hain, W Horn, C Kahle, B Kotz, U Kowalski, H Kramberger, G Lim, H Lohr, B Mankel, R Melzer-Pellmann, IA Nguyen, CN Notz, D Nuncio-Quiroz, AE Raval, A Santamarta, R Schneekloth, U Stadie, H Stosslein, U Wolf, G Youngman, C Zeuner, W Schlenstedt, S Barbagli, G Gallo, E Genta, C Pelfer, PG Bamberger, A Benen, A Karstens, F Dobur, D Vlasov, NN Bussey, PJ Doyle, AT Dunne, W Ferrando, J Hamilton, J Saxon, DH Skillicorn, IO Gialas, I Carli, T Gosau, T Holm, U Krumnack, N Lohrmann, E Milite, M Salehi, H Schleper, P Schorner-Sadenius, T Stonjek, S Wichmann, K Wick, K Ziegler, A Ziegler, A Collins-Tooth, C Foudas, C Fry, C Goncalo, R Long, KR Tapper, AD Kataoka, M Nagano, K Tokushuku, K Yamada, S Yamazaki, Y Barakbaev, AN Boos, EG Pokrovskiy, NS Zhautykov, BO Son, D de Favereau, J Piotrzkowski, K Barreiro, F Glasman, C Jimenez, M Labarga, L del Peso, J Terron, J Zambrana, M Corriveau, F Liu, C Plamondon, M Robichaud-Veronneau, A Walsh, R Zhou, C Tsurugai, T Antonov, A Dolgoshein, BA Rubinsky, I Sosnovtsev, V Stifutkin, A Suchkov, S Dementiev, RK Ermolov, PF Gladilin, LK Katkov, II Khein, LA Korzhavina, IA Kuzmin, VA Levchenko, BB Lukina, OY Proskuryakov, AS Shcheglova, LM Zotkin, DS Zotkin, SA Abt, I Buttner, C Caldwell, A Liu, X Sutiak, J Coppola, N Grigorescu, G Keramidas, A Koffeman, E Kooijman, P Maddox, E Tiecke, H Vazquez, M Wiggers, L Brummer, N Bylsma, B Durkin, LS Ling, TY Allfrey, PD Bell, MA Cooper-Sarkar, AM Cottrell, A Devenish, RCE Foster, B Gwenlan, C Kohno, T Korcsak-Gorzo, K Patel, S Straub, PB Walczak, R Bellan, P Bertolin, A Brugnera, R Carlin, R Ciesielski, R Dal Corso, F Dusini, S Garfagnini, A Limentani, S Longhin, A Stanco, L Turcato, M Heaphy, EA Metlica, F Oh, BY Whitmore, JJ Iga, Y D'Agostini, G Marini, G Nigro, A Hart, JC Abramowicz, H Gabareen, A Kananov, S Kreisel, A Levy, A Kuze, M Kagawa, S Tawara, T Hamatsu, R Kaji, H Kitamura, S Matsuzawa, K Ota, O Ri, YD Costa, M Ferrero, MI Monaco, V Sacchi, R Solano, A Arneodo, M Ruspa, M Fourletov, S Martin, JF Butterworth, JM Hall-Wilton, R Jones, TW Loizides, JH Sutton, MR Targett-Adams, C Wing, M Ciborowski, J Grzelak, G Kulinski, P Luzniak, P Malka, J Nowak, RJ Pawlak, JM Sztuk, J Tymieniecka, T Tyszkiewicz, A Ukleja, A Ukleja, J Zarnecki, AF Adamus, M Plucinski, P Eisenberg, Y Hochman, D Karshon, U Lightwood, MS Brownson, E Danielson, T Everett, A Kcira, D Lammers, S Li, L Reeder, DD Rosin, M Ryan, P Savin, AA Smith, WH Dhawan, S Bhadra, S Catterall, CD Cui, Y Hartner, G Menary, S Noor, U Soares, M Standage, J Whyte, J AF Chekanov, S Derrick, M Magill, S Miglioranzi, S Musgrave, B Repond, J Yoshida, R Mattingly, MCK Pavel, N Molina, AGY Antonioli, P Bari, G Basile, M Bellagamba, L Boscherini, D Bruni, A Bruni, G Romeo, GC Cifarelli, L Cindolo, F Contin, A Corradi, M De Pasquale, S Giusti, P Iacobucci, G Margotti, A Montanari, A Nania, R Palmonari, F Pesci, A Polini, A Rinaldi, L Sartorelli, G Zichichi, A Aghuzumtsyan, G Bartsch, D Brock, I Goers, S Hartmann, H Hilger, E Irrgang, P Jakob, HP Kind, OM Meyer, U Paul, E Rautenberg, J Renner, R Voss, KC Wang, M Wlasenko, M Bailey, DS Brook, NH Cole, JE Heath, GP Namsoo, T Robins, S Capua, M Fazio, S Mastroberardino, A Schioppa, M Susinno, G Tassi, E Kim, JY Ma, KJ Helbich, M Ning, Y Ren, Z Schmidke, WB Sciulli, F Chwastowski, J Eskreys, A Figiel, J Galas, A Olkiewicz, K Stopa, P Szuba, D Zawiejski, L Adamczyk, L Bold, T Grabowska-Bold, I Kisielewska, D Lukasik, J Przybycien, M Suszycki, L Szuba, J Kotanski, A Slominski, W Adler, V Behrens, U Bloch, I Borras, K Drews, G Fourletova, J Geiser, A Gladkov, D Gottlicher, P Gutsche, O Haas, T Hain, W Horn, C Kahle, B Kotz, U Kowalski, H Kramberger, G Lim, H Lohr, B Mankel, R Melzer-Pellmann, IA Nguyen, CN Notz, D Nuncio-Quiroz, AE Raval, A Santamarta, R Schneekloth, U Stadie, H Stosslein, U Wolf, G Youngman, C Zeuner, W Schlenstedt, S Barbagli, G Gallo, E Genta, C Pelfer, PG Bamberger, A Benen, A Karstens, F Dobur, D Vlasov, NN Bussey, PJ Doyle, AT Dunne, W Ferrando, J Hamilton, J Saxon, DH Skillicorn, IO Gialas, I Carli, T Gosau, T Holm, U Krumnack, N Lohrmann, E Milite, M Salehi, H Schleper, P Schorner-Sadenius, T Stonjek, S Wichmann, K Wick, K Ziegler, A Ziegler, A Collins-Tooth, C Foudas, C Fry, C Goncalo, R Long, KR Tapper, AD Kataoka, M Nagano, K Tokushuku, K Yamada, S Yamazaki, Y Barakbaev, AN Boos, EG Pokrovskiy, NS Zhautykov, BO Son, D de Favereau, J Piotrzkowski, K Barreiro, F Glasman, C Jimenez, M Labarga, L del Peso, J Terron, J Zambrana, M Corriveau, F Liu, C Plamondon, M Robichaud-Veronneau, A Walsh, R Zhou, C Tsurugai, T Antonov, A Dolgoshein, BA Rubinsky, I Sosnovtsev, V Stifutkin, A Suchkov, S Dementiev, RK Ermolov, PF Gladilin, LK Katkov, II Khein, LA Korzhavina, IA Kuzmin, VA Levchenko, BB Lukina, OY Proskuryakov, AS Shcheglova, LM Zotkin, DS Zotkin, SA Abt, I Buttner, C Caldwell, A Liu, X Sutiak, J Coppola, N Grigorescu, G Keramidas, A Koffeman, E Kooijman, P Maddox, E Tiecke, H Vazquez, M Wiggers, L Brummer, N Bylsma, B Durkin, LS Ling, TY Allfrey, PD Bell, MA Cooper-Sarkar, AM Cottrell, A Devenish, RCE Foster, B Gwenlan, C Kohno, T Korcsak-Gorzo, K Patel, S Straub, PB Walczak, R Bellan, P Bertolin, A Brugnera, R Carlin, R Ciesielski, R Dal Corso, F Dusini, S Garfagnini, A Limentani, S Longhin, A Stanco, L Turcato, M Heaphy, EA Metlica, F Oh, BY Whitmore, JJ Iga, Y D'Agostini, G Marini, G Nigro, A Hart, JC Abramowicz, H Gabareen, A Kananov, S Kreisel, A Levy, A Kuze, M Kagawa, S Tawara, T Hamatsu, R Kaji, H Kitamura, S Matsuzawa, K Ota, O Ri, YD Costa, M Ferrero, MI Monaco, V Sacchi, R Solano, A Arneodo, M Ruspa, M Fourletov, S Martin, JF Butterworth, JM Hall-Wilton, R Jones, TW Loizides, JH Sutton, MR Targett-Adams, C Wing, M Ciborowski, J Grzelak, G Kulinski, P Luzniak, P Malka, J Nowak, RJ Pawlak, JM Sztuk, J Tymieniecka, T Tyszkiewicz, A Ukleja, A Ukleja, J Zarnecki, AF Adamus, M Plucinski, P Eisenberg, Y Hochman, D Karshon, U Lightwood, MS Brownson, E Danielson, T Everett, A Kcira, D Lammers, S Li, L Reeder, DD Rosin, M Ryan, P Savin, AA Smith, WH Dhawan, S Bhadra, S Catterall, CD Cui, Y Hartner, G Menary, S Noor, U Soares, M Standage, J Whyte, J CA ZEUS Collaboration TI Measurement of inelastic J/psi production in deep inelastic scattering at HERA SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID HEAVY-QUARK PRODUCTION; CENTRAL TRACKING DETECTOR; ENERGY HADRON-COLLISIONS; ZEUS BARREL CALORIMETER; LARGE MOMENTUM-TRANSFER; ROOT S=1.8 TEV; P(P)OVER-BAR COLLISIONS; DIFFRACTIVE PHOTOPRODUCTION; PARTON DISTRIBUTIONS; FLAVOR PRODUCTION AB The inelastic production of J/psi mesons in ep collisions has been studied with the ZEUS detector at HERA using an integrated luminosity of 109 pb(-1). The J/psi mesons were identified using the decay channel J/psi -> mu(+)mu(-). The measurements were performed in the kinematic range 2 < Q(2) < 80 GeV2, 50 < W < 250 GeV, 0.2 < z < 0.9 and -1.6 < Y-lab < 1.3, where Q(2) is the virtuality of the exchanged photon, W is the photon-proton centre-of-mass energy, z is the fraction of the photon energy carried by the J/psi meson in the proton rest frame and Ylab is the rapidity of the J/psi in the laboratory frame. The measured cross sections are compared to theoretical predictions within the non-relativistic QCD framework including colour-singlet and colour-octet contributions, as well as to predictions based on the k(T)-factorisation approach. Calculations of the colour-singlet process generally agree with the data, whereas inclusion of colour-octet terms spoils this agreement. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Andrews Univ, Berrien Springs, MI 49104 USA. Humboldt Univ, Inst Phys, Berlin, Germany. Univ Bologna, Bologna, Italy. INFN Bologna, Bologna, Italy. Univ Bonn, Inst Phys, D-5300 Bonn, Germany. Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TL, Avon, England. Univ Calabria, Dept Phys, I-87036 Cosenza, Italy. Ist Nazl Fis Nucl, Cosenza, Italy. Chonnam Natl Univ, Kwangju, South Korea. Columbia Univ, Nevis Labs, Irvington, NY 10027 USA. Inst Nucl Phys, Krakow, Poland. AGH Univ Sci & Technol, FAc Phys & Appl Comp Sci, Krakow, Poland. Jagiellonian Univ, Dept Phys, Krakow, Poland. DESY, D-2000 Hamburg, Germany. DESY, Zeuthen, Germany. Univ Florence, Florence, Italy. Ist Nazl Fis Nucl, I-50125 Florence, Italy. Univ Freiburg, Fak Phys, D-7800 Freiburg, Germany. Univ Glasgow, Dept Phys & Astron, Glasgow, Lanark, Scotland. Univ Aegean, Dept Engn Management & Finance, Mitilini, Greece. Univ Hamburg, Inst Expt Phys, Hamburg, Germany. Univ London Imperial Coll Sci Technol & Med, High Energy Nucl Phys Grp, London, England. KEK, Inst Particle & Nucl Studies, Tsukuba, Ibaraki, Japan. Minist Educ & Sci Kazakhstan, Inst Phys & Technol, Alma Ata, Kazakhstan. Kyungpook Natl Univ, Ctr High Energy Phys, Taegu, South Korea. Catholic Univ Louvain, Inst Phys Nucl, B-1348 Louvain, Belgium. Univ Autonoma Madrid, Dept Fis Teor, Madrid, Spain. McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. Meiji Gakuin Univ, Fac Gen Educ, Yokohama, Kanagawa, Japan. Moscow Engn Phys Inst, Moscow 115409, Russia. Moscow MV Lomonosov State Univ, Inst Nucl Phys, Moscow, Russia. Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. Univ Amsterdam, Amsterdam, Netherlands. NIKHEF, Amsterdam, Netherlands. Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. Univ Oxford, Dept Phys, Oxford, England. Univ Padua, Dipartimento Fis, Padua, Italy. Ist Nazl Fis Nucl, Padua, Italy. Penn State Univ, Dept Phys, University Pk, PA 16802 USA. Polytech Univ, Sagamihara, Kanagawa, Japan. Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. Ist Nazl Fis Nucl, Rome, Italy. Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. Tel Aviv Univ, Raymond & Beverly Sackler Fac Exact Sci, Sch Phys, IL-69978 Tel Aviv, Israel. Tokyo Inst Technol, Dept Phys, Tokyo 152, Japan. Univ Tokyo, Dept Phys, Tokyo 113, Japan. Tokyo Metropolitan Univ, Dept Phys, Tokyo, Japan. Univ Turin, Turin, Italy. Ist Nazl Fis Nucl, I-10125 Turin, Italy. Univ Piemonte Orientale, Novara, Italy. Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. UCL, Dept Phys & Astron, London, England. Warsaw Univ, Inst Expt Phys, Warsaw, Poland. Inst Nucl Studies, PL-00681 Warsaw, Poland. Weizmann Inst Sci, Dept Particle Phys, IL-76100 Rehovot, Israel. Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. Yale Univ, Dept Phys, New Haven, CT 06520 USA. York Univ, Dept Phys, N York, ON M3J 1P3, Canada. DESY, D-2000 Hamburg, Germany. Nara Womens Univ, Nara 630, Japan. Max Planck Inst, Munich, Germany. Univ Lodz, PL-90131 Lodz, Poland. Tokyo Metropolitan Univ, Dept Radiol Sci, Tokyo 158, Japan. RP Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Suchkov, Sergey/M-6671-2015; dusini, stefano/J-3686-2012; Goncalo, Ricardo/M-3153-2016; Li, Liang/O-1107-2015; De Pasquale, Salvatore/B-9165-2008; Wing, Matthew/C-2169-2008; Fazio, Salvatore /G-5156-2010; Doyle, Anthony/C-5889-2009; collins-tooth, christopher/A-9201-2012; Ferrando, James/A-9192-2012; Levchenko, B./D-9752-2012; Proskuryakov, Alexander/J-6166-2012; Dementiev, Roman/K-7201-2012; Wiggers, Leo/B-5218-2015; Tassi, Enrico/K-3958-2015; Gladilin, Leonid/B-5226-2011 OI dusini, stefano/0000-0002-1128-0664; Goncalo, Ricardo/0000-0002-3826-3442; Li, Liang/0000-0001-6411-6107; Arneodo, Michele/0000-0002-7790-7132; Gutsche, Oliver/0000-0002-8015-9622; De Pasquale, Salvatore/0000-0001-9236-0748; Doyle, Anthony/0000-0001-6322-6195; Ferrando, James/0000-0002-1007-7816; Wiggers, Leo/0000-0003-1060-0520; Gladilin, Leonid/0000-0001-9422-8636 NR 85 TC 21 Z9 21 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6044 EI 1434-6052 J9 EUR PHYS J C JI Eur. Phys. J. C PD SEP PY 2005 VL 44 IS 1 BP 13 EP 25 DI 10.1140/epjc/s2005-02346-2 PG 13 WC Physics, Particles & Fields SC Physics GA 965KS UT WOS:000231950000002 ER PT J AU Niehaus, TA Heringer, D Torralva, B Frauenheim, T AF Niehaus, TA Heringer, D Torralva, B Frauenheim, T TI Importance of electronic self-consistency in the TDDFT based treatment of nonadiabatic molecular dynamics SO EUROPEAN PHYSICAL JOURNAL D LA English DT Article ID DENSITY-FUNCTIONAL THEORY; CIS-TRANS PHOTOISOMERIZATION; TIGHT-BINDING METHOD; ION DYNAMICS; REAL-TIME; PHOTOCHEMICAL-REACTION; CLUSTER COLLISIONS; COMPLEX MATERIALS; RESPONSE THEORY; CHARGE-TRANSFER AB A mixed quantum-classical approach to simulate the coupled dynamics of electrons and nuclei in nanoscale molecular systems is presented. The method relies on a second order expansion of the Lagrangian in time-dependent density functional theory (TDDFT) around a suitable reference density. We show that the inclusion of the second order term renders the method a self-consistent scheme and improves the calculated optical spectra of molecules by a proper treatment of the coupled response. In the application to ion-fullerene collisions, the inclusion of self-consistency is found to be crucial for a correct description of the charge transfer between projectile and target. For a model of the photoreceptor in retinal proteins, nonadiabatic molecular dynamics simulations are performed and reveal problems of TDDFT in the prediction of intra-molecular charge transfer excitations. C1 Univ Paderborn, Dept Theoret Phys, D-33098 Paderborn, Germany. German Canc Res Ctr, Dept Mol Biophys, D-69120 Heidelberg, Germany. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Niehaus, TA (reprint author), Univ Paderborn, Dept Theoret Phys, D-33098 Paderborn, Germany. EM t.niehaus@dkfz.de RI Niehaus, Thomas/C-1413-2010; Frauenheim, Thomas/C-5653-2015 OI Niehaus, Thomas/0000-0001-9576-7658; Frauenheim, Thomas/0000-0002-3073-0616 NR 77 TC 29 Z9 29 U1 0 U2 12 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1434-6060 J9 EUR PHYS J D JI Eur. Phys. J. D PD SEP PY 2005 VL 35 IS 3 BP 467 EP 477 DI 10.1140/epjd/e2005-00079-7 PG 11 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 963MF UT WOS:000231807700005 ER PT J AU Clevenger, L Ferguson, L Hart, WE AF Clevenger, L Ferguson, L Hart, WE TI A filter-based evolutionary algorithm for constrained optimization SO EVOLUTIONARY COMPUTATION LA English DT Article DE constrained optimization; evolutionary pattern search; convergence theory; multiobjective evolutionary algorithm ID PATTERN SEARCH ALGORITHMS AB We introduce a filter-based evolutionary algorithm (FEA) for constrained optimization. The filter used by an FEA explicitly imposes the concept of dominance on a partially ordered solution set. We show that the algorithm is provably robust for both linear and nonlinear problems and constraints. FEAs use a finite pattern of mutation offsets, and our analysis is closely related to recent convergence results for pattern search methods. We discuss how properties of this pattern impact the ability of an FEA to converge to a constrained local optimum. C1 Sandia Natl Labs, Discrete Algorithms & Math Dept, Albuquerque, NM 87185 USA. Texas Tech Inst, Dept Math, Lubbock, TX 79409 USA. RP Clevenger, L (reprint author), Sandia Natl Labs, Discrete Algorithms & Math Dept, POB 5800,MS 1110, Albuquerque, NM 87185 USA. EM Lmcleve@aol.com; alaferg@yahoo.com; wehart@sandia.gov NR 16 TC 7 Z9 7 U1 0 U2 2 PU M I T PRESS PI CAMBRIDGE PA 238 MAIN STREET, STE 500, CAMBRIDGE, MA 02142-1046 USA SN 1063-6560 J9 EVOL COMPUT JI Evol. Comput. PD FAL PY 2005 VL 13 IS 3 BP 329 EP 352 DI 10.1162/1063656054794789 PG 24 WC Computer Science, Artificial Intelligence; Computer Science, Theory & Methods SC Computer Science GA 960KU UT WOS:000231590200003 PM 16156927 ER PT J AU Burns, CA Boily, JF Crawford, RJ Harding, IH AF Burns, CA Boily, JF Crawford, RJ Harding, IH TI Cd(II) sorption onto chemically modified Australian coals SO FUEL LA English DT Article DE coal; adsorption; modification ID LOW-RANK COALS; AMMONIACAL SOLUTIONS; HEAVY-METALS; BROWN COALS; BITUMINOUS COAL; ADSORPTION; ACTIVATION; OXIDATION; CHEMISTRY; BINDING AB Cadmium (II) adsorption onto chemically modified Australian coals has been studied as a function of p[H+] at 25 degrees C. The low rank Collie and Loy Yang coals and the bituminous Norwich Park and Mount Arthur coals were modified with hydrogen peroxide. While both treated bituminous coals showed little affinity for Cd(II) the adsorption properties of the two low rank coals were drastically modified by treatment with hydrogen peroxide. NICA-Donnan model calculations for the treated Collie coal indicated an increase in functionality (ca. 5-fold) which was reflected in the important increase in Cd(II) adsorption obtained from batch adsorption experiments. On the other hand, the modified Loy Yang coal underwent a ca. 6.25 decrease in surface functionality and decomposition of the coal structure itself. These changes were reflected in the DRIFT spectra in bands characteristic of the oxygen-containing functional groups. The Cd(II) adsorption capacity of this modified coal was consequently substantially decreased. The two low rank coals were also treated with ammonia at p[H+] 7.5 and 9.5. This treatment did not, however, induce any substantial change in the adsorption of Cd(II). DRIFT spectra showed that the predominant functional groups present in both Collie and Loy Yang coal remained essentially unchanged after treatment with aqueous ammonia. (c) 2005 Elsevier Ltd. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Swinburne Univ Technol, Sch Sci & Engn, Environm & Biotechnol Ctr, Hawthorn, Vic 3122, Australia. Swinburne Univ Technol, Sch Biophys Sci & Elect Engn, Hawthorn, Vic 3122, Australia. RP Boily, JF (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM boily@pnl.gov RI Crawford, Russell/E-7367-2011; OI Crawford, Russell/0000-0003-1054-5285 NR 46 TC 4 Z9 4 U1 0 U2 3 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0016-2361 J9 FUEL JI Fuel PD SEP PY 2005 VL 84 IS 12-13 BP 1653 EP 1660 DI 10.1016/j.fuel.2005.2.017 PG 8 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 933YS UT WOS:000229669500025 ER PT J AU Wasylenki, LE Dove, PM De Yoreo, JJ AF Wasylenki, LE Dove, PM De Yoreo, JJ TI Effects of temperature and transport conditions on calcite growth in the presence of Mg2+: Implications for paleothermometry SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID CRYSTAL-GROWTH; PLANKTONIC-FORAMINIFERA; TRACE-ELEMENT; PRECIPITATION RATES; MYTILUS-EDULIS; STABLE-ISOTOPE; MAGNESIUM; SURFACE; ARAGONITE; STRONTIUM AB This study links direct measurement of Mg-calcite growth kinetics with high-spatial-resolution analysis of Mg contents in experimental crystals, with particular attention to the effects of temperature on growth rate and reactant transport conditions on Mg distribution. In contrast to previous experiments on Mg partitioning into calcite, here the layer-growth mechanism was observed in situ and step speeds precisely measured with fluid cell atomic force microscopy over a range of temperatures, degrees of supersaturation, and solution Mg concentrations. Data collected from 15 degrees to 30 degrees C yield an activation energy for calcite precipitation of 33 kJ/moI for solutions with [Mg] = 5 X 10(-5) molal. Electron microprobe analyses of large hillocks grown at corresponding conditions demonstrate that Mg has a strong preference for incorporation at negative (acute) step edges, rather than at positive (obtuse) edges when growth rate is limited by surface reactions. This preference is reversed when growth is instead limited by diffusion of reactants through a boundary layer at the mineral-solution interface. These findings show that temperature is not the only strong control on the extent of Mg incorporation and distribution in calcite; transport conditions during mineral growth may also be a first-order factor governing the compositions of natural calcite samples. Copyright (c) 2005 Elsevier Ltd. C1 Virginia Polytech Inst & State Univ, Dept Geosci, Blacksburg, VA 24061 USA. Lawrence Livermore Natl Lab, Dept Chem & Mat Sci, Livermore, CA 94551 USA. RP Dove, PM (reprint author), Virginia Polytech Inst & State Univ, Dept Geosci, Blacksburg, VA 24061 USA. EM dove@vt.edu RI Dove, Patricia/A-7911-2010 NR 59 TC 51 Z9 51 U1 3 U2 28 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 SEP 1 PY 2005 VL 69 IS 17 BP 4227 EP 4236 DI 10.1016/j.gca.2005.04.006 PG 10 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 964QE UT WOS:000231894800005 ER PT J AU Jackson, WE Farges, F Yeager, M Mabrouk, PA Rossano, S Waychunas, GA Solomon, EI Brown, GE AF Jackson, WE Farges, F Yeager, M Mabrouk, PA Rossano, S Waychunas, GA Solomon, EI Brown, GE TI Multi-spectroscopic study of Fe(II) in silicate glasses: Implications for the coordination environment of Fe(II) in silicate melts SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Review ID X-RAY-ABSORPTION; TRANSITION-METAL IONS; MAGNETIC CIRCULAR-DICHROISM; FERRIC-FERROUS EQUILIBRIA; IRON OXIDATION-STATES; CRYSTAL-FIELD SPECTRA; NEAR-EDGE STRUCTURE; FE-K-EDGE; PRE-EDGE; MOSSBAUER-SPECTROSCOPY AB The coordination environment of Fe(II) has been examined in seven anhydrous ferrosilicate glasses at 298 K and 1 bar using Fe-57 Mbssbauer, Fe K-edge X-ray near edge structure (XANES), and extended X-ray absorption fine structure (EXAFS), UV-Vis-NIR, and magnetic circular dichroism (MCD) spectroscopies. Glasses of the following compositions were synthesized from oxide melts (abbreviation and nonbridging oxygen:tetrahedral cation ratio (NBO/T) in parentheses): Li2FeSi3O8 (LI2: 1.33), Rb2FeSi3O8 (RB2: 1.33), Na1.08Fe1.17Si3.13O8 (NAl: 1.09), Na1.46Ca0.24Fe1.08Si2.97O8 (NC6: 1.38), Na1.09Ca0.51Fe0.72Si3.10O8 (NC2: 1.15), Na0.99Ca0.92Fe0.24 Si3.17O8 (NCI: 1.04), and Na0.29Mg0.53Ca0.52Fe0.56Al0.91Si2.44O8 (BAS: 1.05). Mbssbauer, XANES, and EXAFS information suggests that iron is dominantly ferrous in all glasses (< 10 atom% Fe(III)) with an average first-neighbor Fe(H) coordination varying from similar to 4 to 5.2 (+/- 0.2) oxygens. The UV-Vis-NIR spectrum of each sample exhibits intense absorption centered near 8100-9200 cm(-1) and weak absorption near 5000 cm(-1), which cannot be assigned unambiguously. The MCD spectrum of NC6 glass, which is the first such measurement on a silicate glass, shows three transitions at similar to 8500 cm(-1), similar to 6700 cm(-1), and similar to 4500 cm(-1). The behavior of these MCD bands as a function of temperature (1.6 K to 300 K) and magnetic field strength (I T to 7 T) indicates that they most likely arise from three distinct Fe(H) sites with different ground states, two of which are 5-coordinated and one of which is 4-coordinated by oxygens. The combined results suggest that Fe(II) predominantly occupies 5- and 4-coordinated sites in each glass, with the ratios differing for the different compositions. Small amounts of 6-coordinated Fe(II) are possible as well, but primarily in the more basic glass compositions such as BAS. The substitution of Li(I) for Rb(I) in the M2FeSi3O8 base glass composition causes a weakening of the average Fe(II)-O bond, as indicated by the longer Fe(II)-O distance in the latter. The basalt composition glass was found to have the largest Fe(II) sites relative to those in the other glasses in this study. A bond valence model that helps predict the coordination number of Fe(II) in silicate glasses is proposed. The structural information extrapolated to Fe(II)-bearing melts is parameterized using bond valence theory, which helps to rationalize the melt-crystal partitioning behavior of ferrous iron in natural and synthetic melt-crystal systems. Copyright (c) 2005 Elsevier Ltd. C1 Stanford Univ, Dept Geog & Environm Sci, Stanford, CA 94305 USA. Univ Marne la Vallee, Lab Geomat, F-77454 Marne La Vallee, France. CNRS, FRE 2455, F-77454 Marne La Vallee, France. Stanford Univ, Dept Chem, Stanford, CA 94305 USA. Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. SLAC, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Brown, GE (reprint author), Stanford Univ, Dept Geog & Environm Sci, Stanford, CA 94305 USA. EM gordon@pangea.stanford.edu NR 120 TC 77 Z9 78 U1 5 U2 58 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 SEP 1 PY 2005 VL 69 IS 17 BP 4315 EP 4332 DI 10.1016/j.gca.2005.01.008 PG 18 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 964QE UT WOS:000231894800011 ER PT J AU Swanston, CW Torn, MS Hanson, PJ Southon, JR Garten, CT Hanlon, EM Ganio, L AF Swanston, CW Torn, MS Hanson, PJ Southon, JR Garten, CT Hanlon, EM Ganio, L TI Initial characterization of processes of soil carbon stabilization using forest stand-level radiocarbon enrichment SO GEODERMA LA English DT Article; Proceedings Paper CT International Conference on Mechanisms and Regulation of Organic Matter in Soils CY OCT 05-08, 2003 CL Schloss Hohenkammer, GERMANY DE soil organic carbon; stabilization; forest soil; density fractionation; soil organic matter turnover ID ORGANIC-MATTER FRACTIONS; CP/MAS NMR-SPECTROSCOPY; LIGHT-FRACTION; VERTICAL-DISTRIBUTION; CHEMICAL-COMPOSITION; DENSITY FRACTIONS; TURNOVER; DYNAMICS; NITROGEN; MINERALIZATION AB Although the rates and mechanisms of soil organic matter (SOM) stabilization are difficult to observe directly, radiocarbon has proven an effective tracer of soil C dynamics, particularly when coupled with practical fractionation schemes. To explore the rates of C cycling in temperate forest soils, we took advantage of a unique opportunity in the form of an inadvertent stand-level (14)C-labeling originating from a local industrial release. A simple density fractionation scheme separated SOM into interaggregate particulate organic matter (free light fraction, free LF), particulate organic matter occluded within aggregates (occluded LF), and organic matter that is complexed with minerals to form a dense fraction (dense fraction, DF). Minimal agitation and density separation was used to isolate the free LF. The remaining dense sediment was subjected to physical disruption and sonication followed by density separation to separate it into occluded LF and DF. The occluded LF had higher C concentrations and C:N ratios than the free LF, and the C concentration in both light fractions was ten times that of the DF. As a result, the light fractions together accounted for less than 4% of the soil by weight, but contained 40% of the soil C in the 0-15 cm soil increment. Likewise, the light fractions were less than 1% weight of the 15-30 cm increment, but contained more than 35% of the soil C. The degree of SOM protection in the fractions, as indicated by Delta(14)C, was different. In all cases the free LF had the shortest mean residence times. A significant depth by fraction interaction for (14)C indicates that the relative importance of aggregation versus organo-mineral interactions for overall C stabilization changes with depth. The rapid incorporation of (14)C label into the otherwise depleted DF shows that this organo-mineral fraction comprises highly stable material as well as more recent inputs. (c) 2004 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94551 USA. Lawrence Berkeley Lab, Ctr Isotope Geochem, Berkeley, CA USA. Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN USA. Univ Calif Irvine, Earh Syst Sci Dept, Irvine, CA USA. Oregon State Univ, Dept Forest Sci, Corvallis, OR 97331 USA. RP Swanston, CW (reprint author), Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, POB 808,L-397, Livermore, CA 94551 USA. EM swanston1@llnl.gov RI Hanson, Paul J./D-8069-2011; Torn, Margaret/D-2305-2015 OI Hanson, Paul J./0000-0001-7293-3561; NR 43 TC 93 Z9 100 U1 8 U2 48 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0016-7061 J9 GEODERMA JI Geoderma PD SEP PY 2005 VL 128 IS 1-2 BP 52 EP 62 DI 10.1016/j.geoderma.2004.12.015 PG 11 WC Soil Science SC Agriculture GA 949QX UT WOS:000230804300006 ER PT J AU Kieft, TL McCuddy, SM Onstott, TC Davidson, M Lin, LH Mislowack, B Pratt, L Boice, E Lollar, BS Lippmann-Pipke, J Pfiffner, SM Phelps, TJ Gihring, T Moser, D van Heerden, A AF Kieft, TL McCuddy, SM Onstott, TC Davidson, M Lin, LH Mislowack, B Pratt, L Boice, E Lollar, BS Lippmann-Pipke, J Pfiffner, SM Phelps, TJ Gihring, T Moser, D van Heerden, A TI Geochemically generated, energy-rich substrates and indigenous microorganisms in deep, ancient groundwater SO GEOMICROBIOLOGY JOURNAL LA English DT Article DE subsurface; microbiology; sulfur isotopes; sulfate reduction; hydrogen; methane ID WITWATERSRAND BASIN; SOUTH-AFRICA; COMMUNITY STRUCTURE; MICROBIAL BIOMASS; METHANE OXIDATION; BASALT AQUIFERS; EARTHS CRUST; HYDROGEN GAS; GOLD-MINES; SUBSURFACE AB Recent studies have shown that the biosphere extends to depths that exceed 3 km, raising questions regarding the age of the microbes in these deep ecosystems and their sources of energy for metabolism. Abiogenic energy sources that are derived from in situ, purely geochemical sources and thus independent from photosynthesis have been suggested. We sampled saline fracture water emanating from a 3.1-km deep borehole in a Au mine in the Witwatersrand Basin of South Africa and characterized the chemical constituents (including stable isotopes), groundwater age, and indigenous microorganisms. Salinity data and ratios of dissolved noble gases indicate that extremely ancient (2.0 Ga) saline fracture water has mixed with meteoric water to yield an average subsurface residence time of 20-160 Ma, the oldest age of any waters collected to date in the Witwatersrand Basin. H-2 isotope data suggest the water originated from a depth of 4 to 5 km. Sulfur isotope fractionation indicates biological sulfate reduction. Calculations of free energies and steady state energy fluxes based on water chemistry data also support sulfate reduction as the dominant terminal electron accepting process. Lipid and flow cytometry data indicate a sparse microbial community (10(3) cells ml(-1)), despite the presence of relatively high concentrations of energy-rich compounds (H-2, CH4, CO, ethane, propane, butane, and acetate). The H-2 can be explained by radiolysis of water. Stable isotopic signatures of the CH4 and short chain hydrocarbons indicate abiogenic synthesis. The persistence of energy-rich compounds suggests that other factors are limiting to microbial metabolism and growth, e.g., availability of an inorganic nutrient, such as Fe or phosphate. C1 New Mexico Inst Min & Technol, Dept Biol, Socorro, NM 87801 USA. Princeton Univ, Dept Geosci, Princeton, NJ 08544 USA. Indiana Univ, Dept Geol, Bloomington, IN 47405 USA. Univ Toronto, Dept Geol, Toronto, ON, Canada. Geoforschungszentrum Potsdam, D-14473 Potsdam, Germany. Univ Tennessee, Ctr Biomarker Anal, Knoxville, TN USA. Oak Ridge Natl Lab, Oak Ridge, TN USA. Pacific NW Natl Lab, Richland, WA USA. Goldfields Ltd, Kloof Mine, Mpumalanga, South Africa. RP Kieft, TL (reprint author), New Mexico Inst Min & Technol, Dept Biol, 801 Leroy Pl, Socorro, NM 87801 USA. EM Tkieft@nmt.edu RI phelps, tommy/A-5244-2011; Lin, Li-Hung/K-8091-2012; Lippmann-Pipke, Johanna/D-7987-2011; OI Lippmann-Pipke, Johanna/0000-0002-9765-3803; Lin, Li-Hung/0000-0002-0985-1464 NR 54 TC 33 Z9 35 U1 2 U2 24 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0149-0451 J9 GEOMICROBIOL J JI Geomicrobiol. J. PD SEP PY 2005 VL 22 IS 6 BP 325 EP 335 DI 10.1080/01490450500184876 PG 11 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 953NF UT WOS:000231082400006 ER PT J AU Hanson, PJ Wullschleger, SD Norby, RJ Tschaplinski, TJ Gunderson, CA AF Hanson, PJ Wullschleger, SD Norby, RJ Tschaplinski, TJ Gunderson, CA TI Importance of changing CO2, temperature, precipitation, and ozone on carbon and water cycles of an upland-oak forest: incorporating experimental results into model simulations SO GLOBAL CHANGE BIOLOGY LA English DT Review DE Acer; climatic change; evapotranspiration; net ecosystem exchange; nitrogen limitation; Quercus; respiration; succession ID ELEVATED ATMOSPHERIC CO2; QUERCUS-RUBRA L; EASTERN UNITED-STATES; BROAD-LEAVED FOREST; DECIDUOUS FOREST; CLIMATE-CHANGE; LONG-TERM; PHOTOSYNTHETIC ENHANCEMENT; LIMITED PHOTOSYNTHESIS; ECOSYSTEM RESPONSES AB Observed responses of upland-oak vegetation of the eastern deciduous hardwood forest to changing CO2, temperature, precipitation and tropospheric ozone (O-3) were derived from field studies and interpreted with a stand-level model for an 11-year range of environmental variation upon which scenarios of future environmental change were imposed. Scenarios for the year 2100 included elevated [CO2] and [O-3] (+385 ppm and +20 ppb, respectively), warming (+4 degrees C), and increased winter precipitation (+20% November-March). Simulations were run with and without adjustments for experimentally observed physiological and biomass adjustments. Initial simplistic model runs for single-factor changes in CO2 and temperature predicted substantial increases (+191% or 508 g C m(-2) yr(-1)) or decreases (-206% or -549 g C m(-2) yr(-1)), respectively, in mean annual net ecosystem carbon exchange (NEE(a)approximate to 266 +/- 23 g C m(-2) yr(-1) from 1993 to 2003). Conversely, single-factor changes in precipitation or O-3 had comparatively small effects on NEEa (0% and -35%, respectively). The combined influence of all four environmental changes yielded a 29% reduction in mean annual NEEa. These results suggested that future CO2-induced enhancements of gross photosynthesis would be largely offset by temperature-induced increases in respiration, exacerbation of water deficits, and O-3-induced reductions in photosynthesis. However, when experimentally observed physiological adjustments were included in the simulations (e.g. acclimation of leaf respiration to warming), the combined influence of the year 2100 scenario resulted in a 20% increase in NEEa not a decrease. Consistent with the annual model's predictions, simulations with a forest succession model run for gradually changing conditions from 2000 to 2100 indicated an 11% increase in stand wood biomass in the future compared with current conditions. These model-based analyses identify critical areas of uncertainty for multivariate predictions of future ecosystem response, and underscore the importance of long term field experiments for the evaluation of acclimation and growth under complex environmental scenarios. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN USA. RP Hanson, PJ (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN USA. EM hansonpj@ornl.gov RI Hanson, Paul J./D-8069-2011; Wullschleger, Stan/B-8297-2012; Norby, Richard/C-1773-2012 OI Tschaplinski, Timothy/0000-0002-9540-6622; Hanson, Paul J./0000-0001-7293-3561; Wullschleger, Stan/0000-0002-9869-0446; Norby, Richard/0000-0002-0238-9828 NR 136 TC 57 Z9 62 U1 4 U2 44 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1354-1013 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD SEP PY 2005 VL 11 IS 9 BP 1402 EP 1423 DI 10.1111/j.1365-2486.2005.00991.x PG 22 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 957TR UT WOS:000231396700002 ER PT J AU Sehlke, G Jacobson, J AF Sehlke, G Jacobson, J TI System dynamics modeling of transboundary systems: The Bear River basin model SO GROUND WATER LA English DT Article AB System dynamics is a computer-aided approach to evaluating the interrelationships of different components and activities within complex systems. Recently, system dynamics models have been developed in areas such as policy design, biological and medical modeling, energy and the environmental analysis, and in various other areas in the natural and social sciences. The Idaho National Engineering and Environmental Laboratory, a multipurpose national laboratory managed by the Department of Energy, has developed a system dynamics model in order to evaluate its utility for modeling large complex hydrological systems. We modeled the Bear River basin, a transboundary basin that includes portions of Idaho, Utah, and Wyoming. We found that system dynamics modeling is very useful for integrating surface water and ground water data and for simulating the interactions between these sources within a given basin. In addition, we also found that system dynamics modeling is useful for integrating complex hydrologic data with other information (e.g., policy, regulatory, and management criteria) to produce a decision support system. Such decision support systems can allow managers and stakeholders to better visualize the key hydrologic elements and management constraints in the basin, which enables them to better understand the system via the simulation of multiple "what-if" scenarios. Although system dynamics models can be developed to conduct traditional hydraulic/hydrologic surface water or ground water modeling, we believe that their strength lies in their ability to quickly evaluate trends and cause-effect relationships in large-scale hydrological systems, for integrating disparate data, for incorporating output from traditional hydraulic/hydrologic models, and for integration of interdisciplinary data, information, and criteria to support better management decisions. C1 Idaho Natl Engn Lab, Integrated Environm Anal Dept, Idaho Falls, ID 83415 USA. RP Sehlke, G (reprint author), Idaho Natl Engn Lab, Integrated Environm Anal Dept, POB 1625, Idaho Falls, ID 83415 USA. EM gse@inel.gov; jake@inel.gov NR 41 TC 22 Z9 22 U1 1 U2 11 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0017-467X J9 GROUND WATER JI Ground Water PD SEP-OCT PY 2005 VL 43 IS 5 BP 722 EP 730 DI 10.1111/j.1745-6584.2005.00065.x PG 9 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA 963WL UT WOS:000231836800010 PM 16149968 ER PT J AU Squibb, KS Leggett, RW McDiarmid, MA AF Squibb, KS Leggett, RW McDiarmid, MA TI Prediction of renal concentrations of depleted uranium and radiation dose in Gulf War veterans with embedded shrapnel SO HEALTH PHYSICS LA English DT Article DE uranium; depleted; health effects; kidneys; toxicity; chemical ID HUMAN OSTEOBLAST CELLS; FRAGMENTS; TOXICITY; EXPOSURE; KIDNEY; HUMANS; URINE; RATS AB Mobilization of uranium (U) from embedded depleted uranium (DU) metal fragments in Gulf War veterans presents a unique exposure scenario for this radioactive and nephrotoxic metal. In a cohort of exposed veterans, urine U concentrations measured every two years since 1993 persistently range from 10 to over 500 times normal levels, indicating that embedded DU fragments give rise to chronic, systemic exposure to U. Health effects of this exposure are not fully known, but clinical surveillance of these soldiers continues in light of animal studies showing that U released from implanted DU pellets results in tissue accumulation of U. The biokinetic model for uranium recommended by the International Commission on Radiological Protection was used to predict kidney U concentrations and tissue radiation doses in veterans with DU shrapnel based on their urine U excretion. Results suggest that kidney U concentrations in some individuals reached their peak within six years after the war, while in others, concentrations continue to increase and are approaching 1 ppm after 10 y. These results are consistent with urine biomarker tests of renal proximal tubular cell function and cytotoxicity which have shown elevated mean urinary protein excretion indicative of functional effects in veterans with high urine U concentrations (>= 0.10 mu g g(-1) creatinine). Predicted lifetime effective radiation dose from DU released to the blood for the highest exposed individual in this cohort was substantially less than the National Council on Radiation Protection (NCRP) limit for occupational exposure. These results provide further support for current health protection guidelines for DU, which are based on the metal's chemical rather than its radiological toxicity. In light of the potential for continued accumulation of U in the kidney to concentrations approaching the traditional guidance level of 3 ppm U, these results indicate the need for continued surveillance of this population for evidence of developing renal dysfunction. C1 Univ Maryland, Sch Med, Dept Epidemiol & Prevent Med, Baltimore, MD 21201 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. Univ Maryland, Dept Med, Sch Med, Baltimore, MD 21201 USA. RP Squibb, KS (reprint author), Univ Maryland, Sch Med, Dept Epidemiol & Prevent Med, Baltimore, MD 21201 USA. EM ksquibb@epi.umaryland.edu NR 27 TC 28 Z9 28 U1 1 U2 5 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD SEP PY 2005 VL 89 IS 3 BP 267 EP 273 DI 10.1097/01.HP.0000165451.80061.7e PG 7 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 955VS UT WOS:000231256300007 PM 16096502 ER PT J AU Lemley, JR AF Lemley, JR TI Tritium on ice: the dangerous new alliance of nuclear weapons and nuclear power SO HEALTH PHYSICS LA English DT Book Review C1 Brookhaven Natl Lab, Nonproliferat & Natl Secur Dept, Upton, NY 11973 USA. RP Lemley, JR (reprint author), Brookhaven Natl Lab, Nonproliferat & Natl Secur Dept, POB 5000, Upton, NY 11973 USA. NR 1 TC 0 Z9 0 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD SEP PY 2005 VL 89 IS 3 BP 281 EP 282 DI 10.1097/00004032-200509000-00017 PG 2 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 955VS UT WOS:000231256300017 ER PT J AU Gao, ZM Mei, VC Tomlinson, JJ AF Gao, ZM Mei, VC Tomlinson, JJ TI Theoretical analysis of dehumidification process in a desiccant wheel SO HEAT AND MASS TRANSFER LA English DT Article DE desiccant wheel; dehumidification; transport process; numerical simulation ID MASS-TRANSFER; HEAT; REGENERATORS; PERFORMANCE; TRANSPORT AB A mathematical model based on the one-dimensional Navier-Stokes equation is described. The current model is capable of predicting the transient and steady-state transport in a desiccant wheel. It reveals the moisture and temperature in both the airflow channels and the sorbent felt, in detail, as a function of time. The predicted results are validated against the data taken from experimental results, with reasonable accuracy. Therefore, the numerical model is a practical tool for understanding and accounting for the complicated coupled operational process inside the wheel. Consequently, it is useful for parameter studies. As a demonstration of its utility, the model is employed to study the effect of felt thickness and passage shape on the performance of a desiccant wheel. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Gao, ZM (reprint author), Oak Ridge Natl Lab, 2008,MS-6070, Oak Ridge, TN 37831 USA. EM gaoz@ornl.gov OI Gao, Zhiming/0000-0002-7139-7995 NR 14 TC 31 Z9 31 U1 0 U2 6 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0947-7411 J9 HEAT MASS TRANSFER JI Heat Mass Transf. PD SEP PY 2005 VL 41 IS 11 BP 1033 EP 1042 DI 10.1007/s00231-005-0663-4 PG 10 WC Thermodynamics; Mechanics SC Thermodynamics; Mechanics GA 959FA UT WOS:000231501700010 ER PT J AU Lipp, MJ Evans, WJ Yoo, CS AF Lipp, MJ Evans, WJ Yoo, CS TI Hybrid Bridgman anvil design: an optical window for in situ spectroscopy in large volume presses SO HIGH PRESSURE RESEARCH LA English DT Article DE large volume press; diamond anvil; Paris-Edinburgh cell ID NEUTRON-DIFFRACTION; DIAMOND; CALIBRATION; PHASE; CELLS AB The absence of in situ optical probes for large volume presses (LVPs) often limits their application to high-pressure materials research. In this article, we present a unique anvil/optical window design for use in LVPs, which consists of an inverted diamond anvil seated in a Bridgman-type anvil. A small cylindrical aperture through the Bridgman anvil ending at the back of diamond anvil allows optical access to the sample chamber and permits direct optical spectroscopy measurements, such as ruby fluorescence (in situ pressure) or Raman spectroscopy. The performance of this anvil design has been demonstrated by loading KBr to a pressure of 14.5 GPa. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Lipp, MJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM lipp1@lln1.gov NR 16 TC 2 Z9 2 U1 1 U2 2 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0895-7959 J9 HIGH PRESSURE RES JI High Pressure Res. PD SEP PY 2005 VL 25 IS 3 BP 205 EP 210 DI 10.1080/08957950500331741 PG 6 WC Physics, Multidisciplinary SC Physics GA 979NQ UT WOS:000232952500003 ER PT J AU Calaf, GM Roy, D Hei, TK AF Calaf, GM Roy, D Hei, TK TI Immunochemical analysis of protein expression in breast epithelial cells transformed by estrogens and high linear energy transfer (LET) radiation SO HISTOCHEMISTRY AND CELL BIOLOGY LA English DT Article DE protein expression; breast cancer; estrogens; radiation; northern blot ID NUCLEAR ANTIGEN PCNA; INDUCED NEOPLASTIC TRANSFORMATION; CANCER CELLS; C-JUN; ALLELIC IMBALANCE; PROGNOSTIC VALUE; BINDING PROTEIN; RAS; CARCINOMA; ONCOGENE AB Breast cancer is a complex disease involving numerous genetic aberrations. Immunochemical analysis of protein expression is presented in a human breast epithelial cell line neoplastically transformed by high linear energy transfer (LET) alpha particle radiation in the presence of 17 beta estradiol (E) and in the parental human breast epithelial cell line (MCF-10F) which served as a non-tumorigenic control. The aim of this work was to determine the levels of mRNA and protein expression in control and transformed cells at various stages of the neoplastic process. The levels of mRNA and protein expression of PCNA, c-fos, JNK2 and Fra-1 were increased in the transformed cell line compared to the levels in non-tumorigenic control cells. The transforming factor Rho A was significantly increased only in the tumor cell line. Furthermore, the levels of mRNA and protein expression of ErbB2 were significantly increased in the transformed cell line and in tumor cells derived from the transformed cells after injecting them into nude mice. A decrease in RbA/p48 protein expression and mRNA levels was observed in cells treated with double doses of alpha particle radiation in the presence of estrogen, regardless of tumorigenicity. Such expression was lower than that in the control untreated MCF-10F cells. In summary, these studies show that estrogen and high LET-radiation induce changes in oncoprotein expression and mRNA levels of human breast cell lines. These changes are indicative of a cascade of events that characterize the process of cell transformation in breast cancer. These results provide evidence that multiple steps with consecutive changes are involved when normal cells become tumorigenic cells as a result of alpha particle irradiation and estrogen treatments. C1 Columbia Univ, Med Ctr, Ctr Radiol Res, New York, NY 10032 USA. Univ Tarapaca, Fac Sci, Dept Biol & Hlth, Arica, Chile. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Columbia Univ, Med Ctr, Ctr Radiol Res, P&S 11-230,630 W 168th St, New York, NY 10032 USA. EM gmc24@columbia.edu FU NCI NIH HHS [CA 49062]; NIEHS NIH HHS [ES 11804, P30 ES 09089] NR 58 TC 13 Z9 13 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0948-6143 EI 1432-119X J9 HISTOCHEM CELL BIOL JI Histochem. Cell Biol. PD SEP PY 2005 VL 124 IS 3-4 BP 261 EP 274 DI 10.1007/s00418-005-0033-9 PG 14 WC Cell Biology; Microscopy SC Cell Biology; Microscopy GA 980IQ UT WOS:000233012600008 PM 16088382 ER PT J AU Hu, QH Moran, JE AF Hu, QH Moran, JE TI Simultaneous analyses and applications of multiple fluorobenzoate and halide tracers in hydrologic studies SO HYDROLOGICAL PROCESSES LA English DT Article DE tracers; fluorobenzoic acids; halides; ion chromatography; transport; groundwater ID LIQUID-CHROMATOGRAPHY; NONREACTIVE TRACERS; GROUNDWATER TRACERS; SOLUTE TRANSPORT; POROUS-MEDIA; IRON-OXIDES; SOIL; SORPTION; TESTS; FLUORIDE AB An analytical method that employs ion chromatography has been developed to exploit the use of fluorobenzoic acids (FBAs) and halides more fully as hydrologic tracers. In a single run, this reliable, sensitive, and robust method can simultaneously separate and quantify halides (fluoride, chloride, bromide, and iodide) and up to seven FBAs from other common groundwater constituents (e.g. nitrate and sulphate). The usefulness of this analytical method is demonstrated in both field and laboratory tracer experiments. The field study examines the hydrologic response of fractures and the matrix to different flow rates and the contribution of matrix diffusion in chemical transport. Laboratory tracer experiments with eight geologic media from across the USA-mostly from Department of Energy facilities where groundwater contamination is prevalent and where subsurface characterization employing tracers has been ongoing or is in need-reveal several insights about tracer transport behaviour: (1) bromide and FBAs are not always transported conservatively; (2) the delayed transport of these anionic tracers is likely related to geologic media characteristics, such as organic matter, pH, iron oxide content, and clay mineralogy; (3) use of iodine as a hydrologic tracer should take into account the different sorption behaviours of iodide and iodate and the possible conversion of iodine ' s initial chemical form; (4) the transport behaviour of potential FBA and halide tracers under relevant geochemical conditions should be evaluated before beginning ambitious, large-scale field tracer experiments. Copyright (c) 2005 John Wiley & Sons, Ltd. C1 Lawrence Livermore Natl Lab, Chem Biol & Nucl Sci Div, Livermore, CA 94550 USA. RP Hu, QH (reprint author), Lawrence Livermore Natl Lab, Chem Biol & Nucl Sci Div, 7000 E Ave,MS L-231, Livermore, CA 94550 USA. EM hu7@llnl.gov RI Hu, Qinhong/C-3096-2009 OI Hu, Qinhong/0000-0002-4782-319X NR 38 TC 9 Z9 9 U1 3 U2 9 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0885-6087 J9 HYDROL PROCESS JI Hydrol. Process. PD SEP PY 2005 VL 19 IS 14 BP 2671 EP 2687 DI 10.1002/hyp.5780 PG 17 WC Water Resources SC Water Resources GA 969CE UT WOS:000232210200002 ER PT J AU Zellner, NEB Gibbard, S de Pater, I Marchis, F Gaffey, MJ AF Zellner, NEB Gibbard, S de Pater, I Marchis, F Gaffey, MJ TI Near-IR imaging of Asteroid 4 Vesta SO ICARUS LA English DT Article DE asteroids, Vesta; surfaces, asteroids; geological processes; infrared observations ID ADAPTIVE OPTICS OBSERVATIONS; SPACE-TELESCOPE IMAGES AB The Keck Observatory's adaptive optics (AO) system has been used to observe Asteroid 4 Vesta during its 2003 closest approach to Earth. Broadband K '- and L '-band images, centered at 2.1 and 3.6 mu m, respectively, are presented here. The sharpness of the images was improved by applying a deconvolution algorithm, MISTRAL, to the images. The K '- and L '-band images at spatial resolutions of 53 km (0.055 '') and 88 km (0.085 ''), respectively, display albedo features on the surface of the asteroid that can also be seen in the HST images (673 nm) presented by Thomas et al. [1997. Impact excavation on Asteroid 4 Vesta: Hubble Space Telescope results. Science 277, 1492-1495] and Binzel et al. [1997. Geologic mapping of Vesta from 1994 Hubble Space Telescope images. Icarus 128, 95-103] at the same latitudes and longitudes. While we cannot determine the morphology of these features, we can speculate that some of the albedo features may be impact craters filled with dark material. Spectra, centered at 1.65 and 2.1 mu m, were also obtained. Spectra were corrected for the solar flux and are similar to those published by Gaffey [1997. Surface lithologic heterogeneity of Asteroid 4 Vesta. Icarus 127, 130-157], along the same wavelength range. (c) 2005 Elsevier Inc. All rights reserved. C1 Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. Univ N Dakota, Dept Space Studies, Grand Forks, ND 58202 USA. RP Zellner, NEB (reprint author), Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, 7000 E Ave, Livermore, CA 94550 USA. EM zellner1@llnl.gov RI Marchis, Franck/H-3971-2012 NR 22 TC 12 Z9 12 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 0019-1035 J9 ICARUS JI Icarus PD SEP PY 2005 VL 177 IS 1 BP 190 EP 195 DI 10.1016/j.icarus.2005.03.024 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 958XL UT WOS:000231481400013 ER PT J AU Kim, H Yin, I AF Kim, H Yin, I TI Effects of RNA splicing and post-transcriptional regulation on HIV-1 growth: a quantitative and integrated perspective SO IEE PROCEEDINGS SYSTEMS BIOLOGY LA English DT Article AB Despite major advances over the last two decades in our understanding of RNA splicing and (post-) transcriptional regulation in human immunodeficiency virus type-1 (HIV-1), debate continues on the mechanisms and effects of Rev protein on HIV-1 growth. Moreover, arguments that HIV-1 has been optimised for growth have been largely based on speculation. Here, we begin systematically to address these issues by developing a detailed kinetic model for HIV-1 intracellular development. The model accounts for transcription, successive steps in RNA splicing, nuclear export of mRNAs, translation and shuttling of Rev and Tat, Tat-mediated transactivation of transcription, thresholds on Rev in its effects on nuclear export of mRNA, and inhibitory effects of Rev on splicing. Using the model, we found that inefficient splicing of HIV-1 mRNA was generally beneficial for HIV-1 growth, but that an excessive reduction in the splicing efficiency could be detrimental, suggesting that there exists a splicing efficiency that optimises HIV-1 growth. Further, we identified two key contributors to splicing efficiency, the intrinsic splicing rate and the extent of Rev-mediated splicing inhibition, and we showed how these should be balanced for HIV-1 to optimise its growth. Finally, we found that HIV-1 growth is relatively insensitive to different levels of the Rev export threshold, and we suggest that this mechanism evolved to delay viral growth, perhaps to enable evasion of host defensive responses. In summary, our model provides a quantitative and qualitative framework for probing how constituent mechanisms contribute to the complex, yet logical, process of HIV-1 growth. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA. RP Kim, H (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM yin@engr.wisc.edu NR 0 TC 3 Z9 3 U1 0 U2 0 PU IEE-INST ELEC ENG PI HERTFORD PA MICHAEL FARADAY HOUSE SIX HILLS WAY STEVENAGE, HERTFORD SG1 2AY, ENGLAND SN 1741-2471 J9 IEE P SYST BIOL JI IEE Proc. Syst. Biol. PD SEP PY 2005 VL 152 IS 3 BP 138 EP 152 DI 10.1049/ip-syb:20050004 PG 15 WC Cell Biology; Mathematical & Computational Biology SC Cell Biology; Mathematical & Computational Biology GA 980HO UT WOS:000233005900008 ER PT J AU Bishop, M Frincke, DA AF Bishop, M Frincke, DA TI Teaching secure programming SO IEEE SECURITY & PRIVACY LA English DT Article C1 Univ Calif Davis, Davis, CA 95616 USA. Pacific NW Natl Lab, Cyber Secur Grp, Richland, WA 99352 USA. RP Bishop, M (reprint author), Univ Calif Davis, Davis, CA 95616 USA. EM bishop@cs.ucdavis.edu; frincke@pnl.gov NR 4 TC 3 Z9 3 U1 0 U2 0 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1540-7993 J9 IEEE SECUR PRIV JI IEEE Secur. Priv. PD SEP-OCT PY 2005 VL 3 IS 5 BP 54 EP 56 DI 10.1109/MSP.2005.133 PG 3 WC Computer Science, Information Systems; Computer Science, Software Engineering SC Computer Science GA 969KR UT WOS:000232233500009 ER PT J AU Fisher, A Rieben, RN Rodrigue, GH White, DA AF Fisher, A Rieben, RN Rodrigue, GH White, DA TI A generalized mass lumping technique for vector finite-element solutions of the time-dependent Maxwell equations SO IEEE TRANSACTIONS ON ANTENNAS AND PROPAGATION LA English DT Article DE electromagnetic propagation; finite element methods; Maxwell equations; simulation ID DOMAIN; APPROXIMATION; INTEGRATION; MATRICES AB Time-domain finite-element solutions of Maxwell's equations require the solution of a sparse linear system involving the mass matrix at every time step. This process represents the bulk of the computational effort in time-dependent simulations. As such, mass lumping techniques in which the mass matrix is reduced to a diagonal or block-diagonal matrix are very desirable. In this paper, we present a special set of high order 1-form (also known as curl-conforming) basis functions and reduced order integration rules that, together, allow for a dramatic reduction in the number of nonzero entries in a vector finite element mass matrix. The method is derived from the Nedelec curl-conforming polynomial spaces and is valid for arbitrary order hexahedral basis functions for finite-element solutions to the second-order wave equation for the electric (or magnetic) field intensity. We present a numerical eigenvalue convergence analysis of the method and quantify its accuracy and performance via a series of computational experiments. C1 Univ Calif Davis, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Inst Sci Comp Res, Livermore, CA 94551 USA. Lawrence Livermore Natl Lab, Def Sci Engn Div, Livermore, CA 94551 USA. RP Fisher, A (reprint author), Univ Calif Davis, Davis, CA 95616 USA. EM fisher47@llnl.gov; rieben1@llnl.gov; ghro-drigue@ucdavis.edu; white37@llnl.gov NR 19 TC 15 Z9 16 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-926X J9 IEEE T ANTENN PROPAG JI IEEE Trans. Antennas Propag. PD SEP PY 2005 VL 53 IS 9 BP 2900 EP 2910 DI 10.1109/TAP.2005.854520 PG 11 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA 963TY UT WOS:000231830100015 ER PT J AU Capolino, F Wilton, DR Johnson, WA AF Capolino, F Wilton, DR Johnson, WA TI Efficient computation of the 2-D Green's function for 1-D periodic structures using the Ewald method SO IEEE TRANSACTIONS ON ANTENNAS AND PROPAGATION LA English DT Article DE arrays; series acceleration; fast methods; green function; gratings; numerical methods; periodic structures AB The Ewald method is applied to accelerate the evaluation of the Green's function of an infinite periodic phased array of line sources. The Ewald representation for a cylindrical wave is obtained from the known representation for the spherical wave, and a systematic general procedure is applied to extend previous results. Only a few terms are needed to evaluate Ewald sums, which are cast in terms of error functions and exponential integrals, to high accuracy. Singularities and convergence rates are analyzed, and a recipe for selecting the Ewald splitting parameter epsilon is given to handle both low and high frequency ranges. Indeed, it is shown analytically that the choice of the standard optimal splitting parameter Eo will cause overflow errors at high frequencies. Numerical examples illustrate the results and the sensitivity of the Ewald representation to the splitting parameter epsilon. C1 Univ Houston, Dept Elect & Comp Engn, Houston, TX 77204 USA. Sandia Natl Labs, Electromagnet & Plasma Phys Anal Dept, Albuquerque, NM 87185 USA. RP Capolino, F (reprint author), Univ Siena, Dept Informat Engn, Via Laterina 8, I-53100 Siena, Italy. EM capolino@dii.unisi.it NR 16 TC 70 Z9 70 U1 1 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-926X J9 IEEE T ANTENN PROPAG JI IEEE Trans. Antennas Propag. PD SEP PY 2005 VL 53 IS 9 BP 2977 EP 2984 DI 10.1109/TAP.2005.854556 PG 8 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA 963TY UT WOS:000231830100023 ER PT J AU Michalak, SE Harris, KW Hengartner, NW Takala, BE Wender, SA AF Michalak, SE Harris, KW Hengartner, NW Takala, BE Wender, SA TI Predicting the number of fatal soft errors in Los Alamos National Laboratory's ASC Q supercomputer SO IEEE TRANSACTIONS ON DEVICE AND MATERIALS RELIABILITY LA English DT Article DE cosmic-ray-induced neutron; life estimation; linear accelerators; memory testing; neutron beam; neutron-induced soft error; neutron radiation effects; semiconductor-device radiation effects; semiconductor-device testing; single-event upset; soft-error rate; static random access memory (SRAM) chips ID 0.6-MU-M CMOS PROCESS; SINGLE EVENT UPSET; NEUTRONS; FLUX AB Early in the deployment of the Advanced Simulation and Computing (ASC) Q supercomputer, a higher-than-expected number of single-node failures was observed. The elevated rate of single-node failures was hypothesized to be caused primarily by fatal soft errors, i.e., board-level cache (B-cache) tag (BTAG) parity errors caused by cosmic-ray-induced neutrons that led to node crashes. A series of experiments was undertaken at the Los Alamos Neutron Science Center (LANSCE) to ascertain whether fatal soft errors were indeed the primary cause of the elevated rate of single-node failures. Observed failure data from Q are consistent with the results from some of these experiments. Mitigation strategies have been developed, and scientists successfully use Q for large computations in the presence of fatal soft errors and other single-node failures. C1 Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA. Hewlett Packard Corp, High Performance Comp Div, Nashua, NH 03062 USA. Los Alamos Natl Lab, Neutron & Nucl Sci Grp, Los Alamos, NM 87545 USA. RP Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA. EM michalak@lanl.gov; k.harris@hp.com; nickh@lanl.gov; takala@lanl.gov; wender@lanl.gov NR 24 TC 48 Z9 48 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1530-4388 EI 1558-2574 J9 IEEE T DEVICE MAT RE JI IEEE Trans. Device Mater. Reliab. PD SEP PY 2005 VL 5 IS 3 BP 329 EP 335 DI 10.1109/TDMR.2005.855685 PG 7 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 008WD UT WOS:000235070500004 ER PT J AU Dodd, PE AF Dodd, PE TI Physics-based simulation of single-event effects SO IEEE TRANSACTIONS ON DEVICE AND MATERIALS RELIABILITY LA English DT Review DE device modeling and simulation; integrated circuit reliability; integrated circuit scaling; integrated circuit testing; radiation effects; radiation hardening (electronics); radiation response; single event effects; single event latchup; single event transient; single event upset; soft errors ID INDUCED SOFT ERRORS; MULTIPLE-BIT UPSET; CHARGE-COLLECTION; NUMERICAL-SIMULATION; HEAVY-ION; DEVICE SIMULATION; CMOS SRAMS; INTEGRATED-CIRCUITS; SILICON DEVICES; SEMICONDUCTOR-DEVICE AB This paper reviews techniques for physics-based device-level simulation of single-event effects (SEEs) in Si microelectronic devices and integrated circuits. Issues for device modeling of SEE are discussed in the context of providing physical insight into mechanisms contributing to SEE as well as providing predictive capabilities for calculation of SEE rates. Recent advances in device simulation methodology are detailed, including full-cell simulations and cross-section calculations from first principles. Examples of the application of physics-based SEE simulations are presented, including scaling trends in soft error sensitivity as predicted by device simulation, single-event latchup (SEL) simulations in CMOS structures, and recent simulations of single-event transient (SET) production and propagation in digital logic circuits. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM pedodd@sandia.gov NR 116 TC 58 Z9 62 U1 4 U2 28 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1530-4388 EI 1558-2574 J9 IEEE T DEVICE MAT RE JI IEEE Trans. Device Mater. Reliab. PD SEP PY 2005 VL 5 IS 3 BP 343 EP 357 DI 10.1109/TDMR.2005.855826 PG 15 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 008WD UT WOS:000235070500006 ER PT J AU Lee, KD Leeb, SB Norford, LK Armstrong, PR Holloway, J Shaw, SR AF Lee, KD Leeb, SB Norford, LK Armstrong, PR Holloway, J Shaw, SR TI Estimation of variable-speed-drive power consumption from harmonic content SO IEEE TRANSACTIONS ON ENERGY CONVERSION LA English DT Article DE correlation; nonintrusive load monitoring; power estimation; variable speed drive AB Nonintrusive load monitoring can be used to identify the operating schedule of individual loads strictly from measurements of an aggregate power signal. Unfortunately, certain classes of loads present a continuously varying power demand. The power demand of these loads can be difficult to separate from an aggregate measurement. Variable-speed drives (VSDs) are industrially important variable-demand loads that are difficult to track nonintrusively. This paper proposes a VSD power estimation method based on observed correlations between fundamental and higher harmonic spectral content in current. The technique can be generalized to any load with signature correlations in harmonic content, including many power electronic and electromechanical loads. The approach presented here expands the applicability and field reliability of nonintrusive load monitoring. C1 Appl Mat Inc, Santa Clara, CA 95054 USA. MIT, Dept Elect Engn & Comp Sci, Cambridge, MA 02139 USA. MIT, Dept Architecture, Cambridge, MA 02139 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. Montana State Univ, Dept Elect & Comp Engn, Bozeman, MT 59717 USA. RP Appl Mat Inc, Santa Clara, CA 95054 USA. EM douglee@alum.mit.edu; sbleeb@mit.edu; lnorford@mit.edu; peter.armstrong@pnl.gov; holloway@alum.mit.edu; sshaw@matrix.coe.montana.edu NR 23 TC 33 Z9 34 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8969 EI 1558-0059 J9 IEEE T ENERGY CONVER JI IEEE Trans. Energy Convers. PD SEP PY 2005 VL 20 IS 3 BP 566 EP 574 DI 10.1109/TEC.2005.852963 PG 9 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA 958WM UT WOS:000231478900009 ER PT J AU Szymanski, JJ Weber, PG AF Szymanski, JJ Weber, PG TI Multispectral thermal imager: Mission and applications overview SO IEEE TRANSACTIONS ON GEOSCIENCE AND REMOTE SENSING LA English DT Article DE multispectral analysis; Multispectral Thermal Imager (MTI); remote sensing algorithms; thermal infrared ID COLUMNAR WATER-VAPOR; RETRIEVAL; RESOLUTION; MTI; MODIS; EARTH AB The Multispectral Thermal Imager (MTI) satellite is a research and development project sponsored by the U.S. Department of Energy. The primary mission is to demonstrate advanced multispectral and thermal imaging from a satellite, including new technologies, data processing, and analysis techniques and validation by reference to ground truth. The MTI builds on the efforts of a number of earlier efforts, including Landsat, National Aeronautics and Space Administration remote sensing missions, and others, but the MTI incorporates a unique combination of attributes designed to advance the state of the art. The MTI satellite was launched on March 12,2000 into a 580 kin x 610 km, sun-synchronous orbit with nominal I A.M. and I P.M. equatorial crossing times. The Air Force Space Test Program provided the Orbital Sciences Taurus launch. The satellite-based sensors obtain radiance data that are subsequently processed into measurements of atmospheric and surface properties such as column water vapor, atmospheric aerosol loading, surface temperatures, material composition, and others. This paper provides an overview of the MTI research objectives, design, operations, data products, and data processing and analysis. Several other papers provide greater detail on selected topics. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Szymanski, JJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM szymanski@lanl.gov NR 44 TC 7 Z9 7 U1 0 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0196-2892 J9 IEEE T GEOSCI REMOTE JI IEEE Trans. Geosci. Remote Sensing PD SEP PY 2005 VL 43 IS 9 BP 1943 EP 1949 DI 10.1109/TGRS.2005.852079 PG 7 WC Geochemistry & Geophysics; Engineering, Electrical & Electronic; Remote Sensing; Imaging Science & Photographic Technology SC Geochemistry & Geophysics; Engineering; Remote Sensing; Imaging Science & Photographic Technology GA 959TM UT WOS:000231542200001 ER PT J AU Cooke, BJ Lomheim, TS Laubscher, BE Rienstra, JL Clodius, WB Bender, SC Weber, PG Smith, BW Vampola, JL Claassen, PJ Ballard, M Galbraith, AE Borel, CC Atkins, WH AF Cooke, BJ Lomheim, TS Laubscher, BE Rienstra, JL Clodius, WB Bender, SC Weber, PG Smith, BW Vampola, JL Claassen, PJ Ballard, M Galbraith, AE Borel, CC Atkins, WH TI Modeling the MTI electro-optic system sensitivity and resolution SO IEEE TRANSACTIONS ON GEOSCIENCE AND REMOTE SENSING LA English DT Article DE Multispectral Thermal Imager (MTI); spectral modeling; thermal infrared imaging ID THERMAL IMAGER MTI; RETRIEVAL; NOISE; PERFORMANCE AB We present an analysis methodology that offers efficient characterization of the Multispectral Thermal Imager (MTI) electro-optic system response to a wide range of user-specified system parameters and spectral scenarios. This methodology combines physics-based modeling of the MTI hardware with MTI prelaunch characterization data. The resulting models enable the user to generate application-specific sensitivity and resolution studies of the MTI image capture process, and aid in the development of calibration procedures and retrieval algorithms for MTI. In addition to quantifying the MTI response, the methodology developed in this paper is sufficiently general to permit the prototyping and evaluation of a variety of multispectral electro-optic systems. Finally, an example utilizing nominal orbital parameters and targeted MODTRAN scenarios that exercise the various spectral band functions is provided. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Aerosp Corp, Los Angeles, CA 90009 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. Raytheon Vis Syst, Goleta, CA 93117 USA. RP Cooke, BJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM bcooke@lanl.gov RI Borel, Christoph/P-2528-2014 NR 35 TC 7 Z9 8 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0196-2892 J9 IEEE T GEOSCI REMOTE JI IEEE Trans. Geosci. Remote Sensing PD SEP PY 2005 VL 43 IS 9 BP 1950 EP 1963 DI 10.1109/TGRS.2005.847922 PG 14 WC Geochemistry & Geophysics; Engineering, Electrical & Electronic; Remote Sensing; Imaging Science & Photographic Technology SC Geochemistry & Geophysics; Engineering; Remote Sensing; Imaging Science & Photographic Technology GA 959TM UT WOS:000231542200002 ER PT J AU Galbraith, AE Theiler, J Thome, KJ Ziolkowski, RW AF Galbraith, AE Theiler, J Thome, KJ Ziolkowski, RW TI Resolution enhancement of multilook imagery for the Multispectral Thermal Imager SO IEEE TRANSACTIONS ON GEOSCIENCE AND REMOTE SENSING LA English DT Article DE image enhancement; image reconstruction; image registration; image resolution; image restoration; image sampling; image sensors; satellite applications ID CONVEX PROJECTIONS; RESTORATION; SUPERRESOLUTION; MISREGISTRATION; PERFORMANCE; RECOVERY AB This paper studies the feasibility of enhancing the spatial resolution of multilook Multispectral Thermal Imager (MTI) imagery using an iterative resolution enhancement algorithm known as Projection Onto Convex Sets (POCS). A multiangle satellite image modeling tool is implemented, and simulated multilook MTI imagery is formed to test the resolution enhancement algorithm. Experiments are done to determine the optimal configuration and number of multiangle low-resolution images needed for a quantitative improvement in the spatial resolution of the high-resolution estimate. The issues of atmospheric path radiance and directional reflectance variations are explored to determine their effect on the resolution enhancement performance. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Arizona, Ctr Opt Sci, Tucson, AZ 85721 USA. Univ Arizona, Dept Elect & Comp Engn, Tucson, AZ 85721 USA. RP Galbraith, AE (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM amyg@lanl.gov RI Thome, Kurtis/D-7251-2012 NR 38 TC 16 Z9 17 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0196-2892 J9 IEEE T GEOSCI REMOTE JI IEEE Trans. Geosci. Remote Sensing PD SEP PY 2005 VL 43 IS 9 BP 1964 EP 1977 DI 10.1109/TGRS.2005.853569 PG 14 WC Geochemistry & Geophysics; Engineering, Electrical & Electronic; Remote Sensing; Imaging Science & Photographic Technology SC Geochemistry & Geophysics; Engineering; Remote Sensing; Imaging Science & Photographic Technology GA 959TM UT WOS:000231542200003 ER PT J AU Chylek, P Henderson, BG Lesins, G AF Chylek, P Henderson, BG Lesins, G TI Aerosol optical depth retrieval over the NASA Stennis Space Center: MTI, MODIS, and AERONET SO IEEE TRANSACTIONS ON GEOSCIENCE AND REMOTE SENSING LA English DT Article DE aerosol optical depth (AOD); Aerosol Robotic Network (AERONET); Moderate Resolution Imaging Spectroradiometer (MODIS); Multispectral Thermal Imager (MTI); remote sensing; satellite ID TROPOSPHERIC AEROSOL; CLIMATE; RADIATION; LAND AB The Multispectral Thermal Imager (MTI) and the Moderate Resolution Imaging Spectroradiometer (MODIS) satellite-based aerosol optical depth (AOD) retrievals are compared to each other and to the sun photometer AOD measurements at the National Aeronautics and Space Administration's Stennis Aerosol Robotic Network (AERONET) site. The overall accuracy of the MODIS AOD retrieval is approximately the same as the accuracy of the MTI with close-to-nadir view (at large scattering angles) when compared with AERONET measurements. The accuracy of the MODIS AOD retrieval is found to be a function of the scattering angle (the angle between the direction of the incoming and the scattered photons). The root mean square error of the MODIS AOD retrieval at the Stennis site is found to increase from 0.04 at scattering angles between 90 degrees and 105 degrees to over 0.12 at scattering angles from 140 degrees to 165 degrees. Using only moderate scattering angles (< 105 degrees) can significantly increase the accuracy of the MODIS AOD retrievals. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. New Mexico State Univ, Dept Phys, Las Cruces, NM 88003 USA. Dalhousie Univ, Dept Phys & Atmospher Sci, Halifax, NS B3H 3J5, Canada. RP Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM chylek@lanl.gov NR 29 TC 14 Z9 14 U1 0 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0196-2892 EI 1558-0644 J9 IEEE T GEOSCI REMOTE JI IEEE Trans. Geosci. Remote Sensing PD SEP PY 2005 VL 43 IS 9 BP 1978 EP 1983 DI 10.1109/TGRS.2005.851773 PG 6 WC Geochemistry & Geophysics; Engineering, Electrical & Electronic; Remote Sensing; Imaging Science & Photographic Technology SC Geochemistry & Geophysics; Engineering; Remote Sensing; Imaging Science & Photographic Technology GA 959TM UT WOS:000231542200004 ER PT J AU Henderson, BG Chylek, P AF Henderson, BG Chylek, P TI The effect of spatial resolution on satellite aerosol optical depth retrieval SO IEEE TRANSACTIONS ON GEOSCIENCE AND REMOTE SENSING LA English DT Article DE aerosols; multispectral; Multispectral Thermal Imager (MTI); resolution; satellite ID MULTISPECTRAL THERMAL IMAGER; POLARIZATION; ATMOSPHERES; SCATTERING; SUNLIGHT AB We use data from the Multispectral Thermal Imager (MTI) to evaluate the effects of spatial resolution on the accuracy of aerosol optical depth (AOD) retrieval. Our results show that increasing the pixel size by itself has little effect on AOD retrieval accuracy at our chosen study site. However, increased pixel size does increase the error in AOD retrieval as a result of clouds. High-resolution sensors like MTI are able to avoid most clouds, but as the pixel size increases, subpixel clouds avoid the cloud mask, creep into selected pixels, and add a positive bias to the retrieved value of AOD. In accompanying work, we show that increasing pixel size has a small but noticeable impact on the normalized difference vegetation index (NDVI) and the 2.2-mu m reflectance, both used in the retrieval algorithm. We also examine the uniformity of the aerosol layer and show that the AOD varies by less than 0.02 in optical depth units over a 2.3 x 3.8 km(2) area. An analysis of the temporal variability of Aerosol Robotic Network-retrieved AOD shows a standard deviation of 0.02 on partly cloudy days and 0.004 on clear days. C1 Los Alamos Natl Lab, Space & Remote Sensing Sci Grp, Los Alamos, NM 87545 USA. RP Henderson, BG (reprint author), Los Alamos Natl Lab, Space & Remote Sensing Sci Grp, POB 1663, Los Alamos, NM 87545 USA. NR 19 TC 13 Z9 15 U1 1 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0196-2892 J9 IEEE T GEOSCI REMOTE JI IEEE Trans. Geosci. Remote Sensing PD SEP PY 2005 VL 43 IS 9 BP 1984 EP 1990 DI 10.1109/TGRS.2005.852078 PG 7 WC Geochemistry & Geophysics; Engineering, Electrical & Electronic; Remote Sensing; Imaging Science & Photographic Technology SC Geochemistry & Geophysics; Engineering; Remote Sensing; Imaging Science & Photographic Technology GA 959TM UT WOS:000231542200005 ER PT J AU Hook, SJ Clodius, WB Balick, L Alley, RE Abtahi, A Richards, RC Schladow, SG AF Hook, SJ Clodius, WB Balick, L Alley, RE Abtahi, A Richards, RC Schladow, SG TI In-flight validation of mid- and thermal infrared data from the Multispectral Thermal Imager (MTI) using an automated high-altitude validation site at Lake Tahoe CA/NV, USA SO IEEE TRANSACTIONS ON GEOSCIENCE AND REMOTE SENSING LA English DT Article DE calibration; radiance; temperature; thermal infrared; validation ID SEA-SURFACE TEMPERATURE; TRACK SCANNING RADIOMETER; COOL-SKIN; CALIBRATION; TRANSPORT; BULK; RETRIEVAL; SHEAR; WATER AB The Multispectral Thermal Imager (MTI) is a 15-band satellite-based imaging system. Two of the bands (J, K) are located in the mid-infrared (3-5 mu m) wavelength region: J, 3.5-4.1 mu m and K, 4.9-5.1 mu m, and three of the bands (L, M, N) are located in the thermal infrared (8-12 mu m) wavelength region: L, 8.0-8.4 mu m; M, 8.4-8.8 mu m; and N, 10.2-10.7 mu m. The absolute radiometric accuracy of the MTI data acquired in bands J-N was assessed over a period of approximately three years using data from the Lake Tahoe, CA/NV, automated validation site. Assessment involved using a radiative transfer model to propagate surface skin temperature measurements made at the time of the MTI overpass to predict the vicarious at-sensor radiance. The vicarious at-sensor radiance was convolved with the MTI system response functions to obtain the vicarious at-sensor MTI radiance in bands J-N. The vicarious radiances were then compared with the instrument measured radiances. In order to avoid any reflected solar contribution in the mid-infrared bands, only nighttime scenes were used in the analysis of bands J and K. Twelve cloud-free scenes were used in the analysis of the data from the mid-infrared bands (J, K), and 23 cloud-free scenes were used in the analysis of the thermal infrared bands (L, M, N). The scenes had skin temperatures ranging between 4.4 and 18.6 degrees C. The skin temperature was found to be, on average, 0.18 +/- 0.36 degrees C cooler than the bulk temperature during the day and 0.65 +/- 0.31 degrees C cooler than the bulk temperature at night. The smaller skin effect during the day was attributed to solar heating. The mean and standard deviation of the percent differences between the vicarious (predicted) at-sensor radiance convolved to the MTI bandpasses and the MTI measured radiances were -1.38 +/- 2.32, -2.46 +/- 1.96, -0.04 +/- 0.78, -1.97 +/- 0.62, -1.59 +/- 0.55 for bands J-N, respectively. The results indicate that, with the exception of band L, the instrument measured radiances are warmer than expected. C1 CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Calif Davis, Dept Environm Sci & Policy, Tahoe Res Grp, Davis, CA 95616 USA. Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA. RP Hook, SJ (reprint author), CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. NR 26 TC 14 Z9 14 U1 1 U2 8 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0196-2892 J9 IEEE T GEOSCI REMOTE JI IEEE Trans. Geosci. Remote Sensing PD SEP PY 2005 VL 43 IS 9 BP 1991 EP 1999 DI 10.1109/TGRS.2005.853191 PG 9 WC Geochemistry & Geophysics; Engineering, Electrical & Electronic; Remote Sensing; Imaging Science & Photographic Technology SC Geochemistry & Geophysics; Engineering; Remote Sensing; Imaging Science & Photographic Technology GA 959TM UT WOS:000231542200006 ER PT J AU Fernandez-Gonzalez, R Barcellos-Hoff, MH Ortiz-de-Solorzano, C AF Fernandez-Gonzalez, R Barcellos-Hoff, MH Ortiz-de-Solorzano, C TI A tool for the quantitative spatial analysis of complex cellular systems SO IEEE TRANSACTIONS ON IMAGE PROCESSING LA English DT Article DE mammary gland; multiscale analysis; optical microscopy; quantitative biology; spatial distribution; tissue topology ID NONLINEAR DIMENSIONALITY REDUCTION; STEM-CELLS; TISSUE ARCHITECTURE; NUMERICAL DENSITY; VORONOI DIAGRAMS; HUMAN BREAST; GRAPHS; SEGMENTATION; TESSELLATION; EXPRESSION AB Spatial events largely determine the biology of cells, tissues, and organs. In this paper, we present a tool for the quantitative spatial analysis of heterogeneous cell populations, and we show experimental validation of this tool using both artificial and real (mammary gland tissue) data, in two and three dimensions. We present the refined relative neighborhood graph as a means to establish neighborhood between cells in an image while modeling the topology of the tissue. Then, we introduce the M function as a method to quantitatively evaluate the existence of spatial patterns within one cell population or the relationship between the spatial distributions of multiple cell populations. Finally, we show a number of examples that demonstrate the feasibility of our approach. C1 Univ Calif Berkeley, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. Univ Calif San Francisco, Joint Grad Grp Bioengn, San Francisco, CA 94143 USA. RP Fernandez-Gonzalez, R (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA. EM rfgonzalez@lbl.gov; mhbarcellos-hoff@lbl.gov; codesolorzano@unav.es RI Ortiz de Solorzano, Carlos/G-3278-2010; Fernandez-Gonzalez, Rodrigo/F-6145-2012 OI Ortiz de Solorzano, Carlos/0000-0001-8720-0205; NR 39 TC 9 Z9 9 U1 0 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 1057-7149 J9 IEEE T IMAGE PROCESS JI IEEE Trans. Image Process. PD SEP PY 2005 VL 14 IS 9 BP 1300 EP 1313 DI 10.1109/TIP.2005.852466 PG 14 WC Computer Science, Artificial Intelligence; Engineering, Electrical & Electronic SC Computer Science; Engineering GA 956SF UT WOS:000231319400008 PM 16190466 ER PT J AU Crossno, P Rogers, DH Brannon, RM Coblentz, D Fredrich, JT AF Crossno, P Rogers, DH Brannon, RM Coblentz, D Fredrich, JT TI Visualization of geologic stress perturbations using Mohr diagrams SO IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS LA English DT Article; Proceedings Paper CT IEEE Visualization 2004 Conference CY OCT 10-15, 2004 CL Austin, TX SP IEEE, ATI, Sgi, Sun, Pacific NW Natl Lab, IBM Res, nVIDIA, Kitware, Mitsubishi Elect, ChevronTexaco, Natl Lib Med DE geomechanical modeling; Mohr diagrams; multiple coordinated views; tensor field visualization; tensor glyph ID TENSOR-FIELDS; MODELS AB Huge salt formations, trapping large untapped oil and gas reservoirs, lie in the deepwater region of the Gulf of Mexico. Drilling in this region is high-risk and drilling failures have led to well abandonments, with each costing tens of millions of dollars. Salt tectonics plays a central role in these failures. To explore the geomechanical interactions between salt and the surrounding sand and shale formations, scientists have simulated the stresses in and around salt diapirs in the Gulf of Mexico using nonlinear finite element geomechanical modeling. In this paper, we describe novel techniques developed to visualize the simulated subsurface stress field. We present an adaptation of the Mohr diagram, a traditional paper-and-pencil graphical method long used by the material mechanics community for estimating coordinate transformations for stress tensors, as a new tensor glyph for dynamically exploring tensor variables within three-dimensional finite element models. This interactive glyph can be used as either a probe or a filter through brushing and linking. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM pjcross@sandia.gov; dhroger@sandia.gov; rmbrann@sandia.gov; coblentz@lanl.gov; fredrich@sandia.gov NR 40 TC 5 Z9 5 U1 0 U2 3 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1077-2626 EI 1941-0506 J9 IEEE T VIS COMPUT GR JI IEEE Trans. Vis. Comput. Graph. PD SEP-OCT PY 2005 VL 11 IS 5 BP 508 EP 518 DI 10.1109/TVCG.2005.86 PG 11 WC Computer Science, Software Engineering SC Computer Science GA 943IM UT WOS:000230346800005 PM 16144248 ER PT J AU Wallace, KP Parr, AB Cho, BL Ding, Z AF Wallace, KP Parr, AB Cho, BL Ding, Z TI Performance analysis of a spectrally compliant ultra-wideband pulse design SO IEEE TRANSACTIONS ON WIRELESS COMMUNICATIONS LA English DT Article DE impulse radio; multiuser systems; pulse-design algorithm; ultra-wideband (UWB) ID SPHEROIDAL WAVE-FUNCTIONS; FOURIER-ANALYSIS; UNCERTAINTY AB We present a performance analysis of an ultra-wideband (UWB) system. The UWB system utilizes a new pulse design that made the performance analysis possible, since the new pulse not only has a short duration to reduce collision, but is also spectrally compliant to the recent U.S. Federal Communications Commission regulation on UWB systems. We present the performance analysis of UWB systems based on different pulse shapes and number of users. New simulation results on multiuser performance of the impulse radio are also presented. C1 Sandia Natl Labs, Livermore, CA 94551 USA. Univ Calif Davis, Dept Elect & Comp Engn, Davis, CA 95616 USA. Sunchon Natl Univ, Dept Elect Engn, Sunchon 201203, South Korea. RP Wallace, KP (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM kwallac@sandia.gov; zding@ece.ucdavis.edu OI Ding, Zhi/0000-0002-2649-2125 NR 12 TC 6 Z9 6 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 1536-1276 J9 IEEE T WIREL COMMUN JI IEEE Trans. Wirel. Commun. PD SEP PY 2005 VL 4 IS 5 BP 2172 EP 2181 DI 10.1109/TWC.2005.853878 PG 10 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA 986VM UT WOS:000233477800029 ER PT J AU Vaughan, DE Jacobson, SH Hall, SN McLay, LA AF Vaughan, DE Jacobson, SH Hall, SN McLay, LA TI Simultaneous generalized hill-climbing algorithms for addressing sets of discrete optimization problems SO INFORMS JOURNAL ON COMPUTING LA English DT Article DE analysis of algorithms; suboptimal algorithms; probability; Markov processes ID CONVERGENCE AB This paper introduces simultaneous generalized hill-climbing (SGHC) algorithms as a framework for simultaneously addressing a set of related discrete optimization problems using heuristics. Many well-known heuristics can be embedded within the SGHC algorithm framework, including simulated annealing, pure local search, and threshold accepting (among others). SGHC algorithms probabilistically move between a set of related discrete optimization problems during their execution according to a problem probability mass function. When an SGHC algorithm moves between discrete optimization problems, information gained while optimizing the current problem is used to set the initial solution in the subsequent problem. The information used is determined by the practitioner for the particular set of problems under study. However, effective strategies are often apparent based on the problem description. SGHC algorithms are motivated by a discrete manufacturing process design optimization problem (that is used throughout the paper to illustrate the concepts needed to implement a SGHC algorithm). This paper discusses effective strategies for three examples of sets of related discrete optimization problems (a set of traveling salesman problems, a set of permutation flow shop problems, and a set of MAX 3-satisfiability problems). Computational results using the SGHC algorithm for randomly generated problems for two of these examples are presented. For comparison purposes, the associated generalized hill-climbing (GHC) algorithms are applied to the individual discrete optimization problems in the sets. These computational results suggest that near-optimal solutions can be reached more effectively and efficiently using SGHC algorithms. C1 Los Alamos Natl Lab, Los Alamos, NM 87544 USA. Univ Illinois, Simulat & Optimizat Lab, Dept Mech & Ind Engn, Urbana, IL 61801 USA. RP Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM dev@lanl.gov; shj@uiuc.edu; snhall@uiuc.edu; lalbert@uiuc.edu OI Jacobson, Sheldon/0000-0002-9042-8750; Albert, Laura/0000-0001-7079-4473 NR 23 TC 2 Z9 2 U1 0 U2 1 PU INFORMS PI CATONSVILLE PA 5521 RESEARCH PARK DR, SUITE 200, CATONSVILLE, MD 21228 USA SN 1091-9856 EI 1526-5528 J9 INFORMS J COMPUT JI INFORMS J. Comput. PD FAL PY 2005 VL 17 IS 4 BP 438 EP 450 DI 10.1287/ijoc.1040.0064 PG 13 WC Computer Science, Interdisciplinary Applications; Operations Research & Management Science SC Computer Science; Operations Research & Management Science GA 988HC UT WOS:000233582600005 ER PT J AU Brown, NJ Revzan, KL AF Brown, NJ Revzan, KL TI Comparative sensitivity analysis of transport properties and reaction rate coefficients SO INTERNATIONAL JOURNAL OF CHEMICAL KINETICS LA English DT Article ID COMBUSTION KINETICS; DIATOMIC GASES; FLAMES; RELAXATION; DIFFUSION; VELOCITY AB Transport properties of chemical species are required for many combustion models A sensitivity analysis is conducted to assess the significance of transport properties and their underlying molecular parameterizations for atmospheric pressure premixed laminar flames for three different fuels and two different approaches to transport property calculations. The analysis is performed at both the macroscopic level of Arrhenius A-factors and transport coefficients as well as at the molecular scale. First- and second-order sensitivities of reactant, intermediate, and product species concentrations, temperature, and flame velocity were calculated with respect to various parameters, all within the mixture approximation using ADIFOR 2.0, a software package that supports exact differentiation. Parameters considered were the binary diffusion coefficients, pure species thermal conductivity coefficients, and thermal diffusion ratios. The more fundamental molecular parameters: collision diameters, well depths, dipole moments, polarizabilities, and the rotational relaxation collision numbers were also considered. Influential transport properties are found to be as important in name modeling as influential reaction rates, and both should be taken into account when building chemical mechanisms. Transport parameter importance was found to vary according to the independent variable being considered and the flame type. Magnitudes of sensitivities appear to be more influenced by the underlying molecular parameters than the approach used to compute the transport properties. The number of significant sensitivities to transport parameters increases for the progression: flame temperature, flame velocity, reactant species, product species, and intermediate radical species. Many dependent variables have significant sensitivities to the pure species thermal conductivities of N-2, O-2, and the fuel. At the molecular level, large sensitivities to the collision diameters of several species are also observed, but significant sensitivity to well depths, although observed is less and more rare. Large sensitivities are not observed to the rotational relaxation collision number, the dipole moment, or to the molecular polarizability. Second-order sensitivities are significant for a number of dependent variables. (c) 2005 Wiley Periodicals, Inc. C1 Lawrence Berkeley Natl Lab, Dept Atmospher Sci, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Brown, NJ (reprint author), Lawrence Berkeley Natl Lab, Dept Atmospher Sci, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM njbrown@lbl.gov NR 26 TC 18 Z9 19 U1 1 U2 6 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0538-8066 J9 INT J CHEM KINET JI Int. J. Chem. Kinet. PD SEP PY 2005 VL 37 IS 9 BP 538 EP 553 DI 10.1002/kin.20107 PG 16 WC Chemistry, Physical SC Chemistry GA 954AU UT WOS:000231127300004 ER PT J AU Patrinos, A AF Patrinos, A TI Special issue on climate modeling - Preface SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Editorial Material C1 US DOE, Biol & Environm Res Off Sci, Washington, DC 20585 USA. RP Patrinos, A (reprint author), US DOE, Biol & Environm Res Off Sci, Washington, DC 20585 USA. NR 0 TC 1 Z9 1 U1 0 U2 0 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FAL PY 2005 VL 19 IS 3 BP 175 EP 175 DI 10.1177/1094342005056093 PG 1 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 957RR UT WOS:000231391500001 ER PT J AU Drake, JB Jones, PW Carr, GR AF Drake, JB Jones, PW Carr, GR TI Overview of the software design of the Community Climate System Model SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE parallel clusters; multiphysics simulation ID SEA-ICE DYNAMICS; SPHERE AB The Community Climate System Model (CCSM) is a computer model for simulating the Earth's climate. The CCSM is built from four individual component models for the atmosphere, ocean, land surface, and sea ice. The notion of a physical/dynamical component of the climate system translates directly to the software component structure. Software design of the CCSM is focused on the goals of modularity, extensibility, and performance portability. These goals are met at both the component level and within the individual component models. Performance portability is the ability of a code to achieve good performance across a variety of computer architectures while maintaining a single source code. As a community model, the CCSM must run on a variety of machine architectures and must perform well on all these. architectures for computationally intensive climate simulations. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Natl Ctr Atmospher Res, Boulder, CO 80307 USA. RP Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM DRAKEJB@ORNL.GOV NR 38 TC 16 Z9 18 U1 1 U2 3 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 EI 1741-2846 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FAL PY 2005 VL 19 IS 3 BP 177 EP 186 DI 10.1177/1094342005056094 PG 10 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 957RR UT WOS:000231391500002 ER PT J AU Worley, PH Drake, JB AF Worley, PH Drake, JB TI Performance portability in the physical parameterizations of the Community Atmospheric Model SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE performance portability; atmospheric modeling; high-performance computing ID CLIMATE MODEL AB Community models for global climate research, such as the Community Atmospheric Model, must perform well on a variety of computing systems. Supporting diverse research interests, these computationally demanding models must be efficient for a range of problem sizes and processor counts. In this paper we describe the data structures and associated infrastructure developed for the physical parameterizations that allow the Community Atmospheric Model to be turfed for vector or non-vector systems, to provide load balancing while minimizing communication overhead, and to exploit the optimal mix of distributed Message Passing Interface (MPI) processes and shared OpenMP threads. C1 Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Worley, PH (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. EM WORLEYPH@ORNL.GOV NR 24 TC 12 Z9 12 U1 0 U2 0 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FAL PY 2005 VL 19 IS 3 BP 187 EP 201 DI 10.1177/1094342005056095 PG 15 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 957RR UT WOS:000231391500003 ER PT J AU Mirin, AA Sawyer, WB AF Mirin, AA Sawyer, WB TI A scalable implementation of a finite-volume dynamical core in the Community Atmosphere Model SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE atmospheric dynamics; parallel processing ID SHALLOW-WATER MODEL; PERFORMANCE AB We present a distributed memory message passing parallel implementation of a finite-volume discretization of the primitive equations in the Community Atmosphere Model. Due to the data dependences resulting from the polar singularity of the latitude-longitude coordinate system, we employ two separate domain decompositions within the dynamical core: one in latitude/level space and the other in longitude/latitude space. This requires that the data be periodically redistributed between these two decompositions. In addition, the domains contain halo regions that cover the nearest-neighbor data dependences. A combination of several techniques, such as one-sided communication and multithreading, are presented to optimize data movements. The resulting algorithm is shown to scale to very large machine configurations, even for relatively coarse resolutions. C1 Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA. Swiss Fed Inst Technol, CH-8092 Zurich, Switzerland. RP Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA. EM MIRIN@LLNL.GOV NR 12 TC 16 Z9 16 U1 0 U2 3 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 EI 1741-2846 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FAL PY 2005 VL 19 IS 3 BP 203 EP 212 DI 10.1177/1094342005056096 PG 10 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 957RR UT WOS:000231391500004 ER PT J AU Dennis, J Fournier, A Spotz, WF St-Cyr, A Taylor, MA Thomas, SJ Tufo, H AF Dennis, J Fournier, A Spotz, WF St-Cyr, A Taylor, MA Thomas, SJ Tufo, H TI High-resolution mesh convergence properties and parallel efficiency of a spectral element atmospheric dynamical core SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE spectral elements; dynamical core; parallel scalability; mesh convergence; atmospheric circulation ID SEISMIC-WAVE PROPAGATION; SHALLOW-WATER EQUATIONS; GENERAL-CIRCULATION; ANNULAR MODES; BREAKING AB We first demonstrate the parallel performance of the dynamical core of a spectral element atmospheric model. The model uses continuous Galerkin spectral elements to discretize the surface of the Earth, coupled with finite differences in the radial direction. Results are presented from two distributed memory, mesh interconnect supercomputers (ASCI Red and BlueGene/L), using a two-dimensional space filling curve domain decomposition. Better than 80% parallel efficiency is obtained for fixed grids on up to 8938 processors. These runs represent the largest processor counts ever achieved for a geophysical application. They show that the upcoming Red Storm and BlueGene/L supercomputers are well suited for performing global atmospheric simulations with a 10 km average grid spacing. We then demonstrate the accuracy of the method by performing a full three-dimensional mesh refinement convergence study, using the primitive equations to model breaking Rossby waves on the polar vortex. Due to the excellent parallel performance, the model is run at several resolutions up to 36 km with 200 levels using only modest computing resources. Isosurfaces of scaled potential vorticity exhibit complex dynamical features, e.g. a primary potential vorticity tongue; and a secondary instability causing roll-up into a ring of five smaller subvortices. As the resolution is increased, these features are shown to converge while potential vorticity gradients steepen. C1 Natl Ctr Atmospher Res, Div Comp Sci, Boulder, CO 80307 USA. Univ Maryland, Coll Comp Math Phys Sci, Dept Meteorol, College Pk, MD 20742 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Dennis, J (reprint author), Natl Ctr Atmospher Res, Div Comp Sci, POB 3000, Boulder, CO 80307 USA. EM MATAYLO@SANDIA.GOV RI Fournier, Aime/J-6366-2015 OI Fournier, Aime/0000-0002-5872-8307 NR 31 TC 45 Z9 45 U1 0 U2 2 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FAL PY 2005 VL 19 IS 3 BP 225 EP 235 DI 10.1177/1094342005056108 PG 11 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 957RR UT WOS:000231391500006 ER PT J AU Ghan, S Shippert, T AF Ghan, S Shippert, T TI Load balancing and scalability of a subgrid orography scheme in a global climate model SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE climate model; load balancing; subgrid orography AB A subgrid orography scheme has been applied to the National Center for Atmospheric Research Community Atmosphere Model. The scheme applies all of the model column physics to each of up to 11 elevation classes within each grid cell. The distribution of the number of elevation classes in each grid cell is highly inhomogeneous. This could produce a serious load imbalance if the domain decomposition distributes grid cells evenly across processors. However, since the distribution of classes is static, static load balancing can be used to distribute the elevation classes uniformly across processors. The load balancing is accomplished first by distributing the number of classes evenly within each process. The number of chunks on processes is distributed uniformly across processes and the dynamics-physics transpose cost is minimized by assigning chunks to processes with the most dynamics grid cells from that chunk. Parallel efficiency with the subgrid scheme and load balancing exceeds parallel efficiency without the subgrid scheme for up to 128 processors. The load balancing across processes decreases run-time by 10-30% depending on configuration. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Ghan, S (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM STEVE.GHAN@PNL.GOV RI Ghan, Steven/H-4301-2011 OI Ghan, Steven/0000-0001-8355-8699 NR 11 TC 1 Z9 1 U1 0 U2 1 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FAL PY 2005 VL 19 IS 3 BP 237 EP 245 DI 10.1177/1094342005056112 PG 9 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 957RR UT WOS:000231391500007 ER PT J AU Hoffman, FM Vertenstein, M Kitabata, H White, JB AF Hoffman, FM Vertenstein, M Kitabata, H White, JB TI Vectorizing the Community Land Model SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE Community Land Model; CLM; Community Climate System Model; CCSM; vectorization; Cray X1; Earth Simulator AB In this paper we describe our extensive efforts to rewrite the Community Land Model (CLM) so that it provides good vector performance on the Earth Simulator in Japan and the Cray X1 at Oak Ridge National Laboratory. We present the technical details of the old and new internal data structures, the required code reorganization, and the resulting performance improvements. We describe and compare the performance and scaling of the final CLM Version 3.0 (CLM3.0) on the IBM Power4, the Earth Simulator, and the Cray X1. At 64 processors, the performance of the model is similar on the IBM Power4, the Earth Simulator, and the Cray X1. However, the Cray X1 offers the best performance of all three platforms tested from 4 to 64 processors when OpenMP is used. Moreover, at low processor counts (16 or fewer), the model performs significantly better on the Cray X1 than on the other platforms. The vectorized version of CLM was publicly released by the National Center for Atmospheric Research as the standalone CLM3.0, as a part of the new Community Atmosphere Model Version 3.0 (CAM3.0), and as a component of the Community Climate System Model Version 3.0 (CCSM3.0) on June 23, 2004. C1 Oak Ridge Natl Lab, Climate & Carbon Res Inst, Oak Ridge, TN 37831 USA. Natl Ctr Atmospher Res, CCSM Software Engn Grp, Boulder, CO 80307 USA. RP Hoffman, FM (reprint author), Oak Ridge Natl Lab, Climate & Carbon Res Inst, Oak Ridge, TN 37831 USA. EM FORREST@CLIMATE.ORNL.GOV RI Hoffman, Forrest/B-8667-2012 OI Hoffman, Forrest/0000-0001-5802-4134 NR 10 TC 8 Z9 8 U1 0 U2 1 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FAL PY 2005 VL 19 IS 3 BP 247 EP 260 DI 10.1177/1094342005056113 PG 14 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 957RR UT WOS:000231391500008 ER PT J AU Kerbyson, DJ Jones, PW AF Kerbyson, DJ Jones, PW TI A performance model of the Parallel Ocean Program SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE performance modeling; large-scale systems; performance analysis; ocean modeling ID 1/10-DEGREES; SIMULATION AB In this paper we describe a performance model of the Parallel Ocean Program (POP). In particular, the latest version of POP (v2.0) is considered, which has similarities and differences to the earlier version (v1.4.3) as commonly used in climate simulations. The performance model encapsulates an understanding of POP's data decomposition, processing flow, and scaling characteristics. The model is parametrized in many of the main input parameters to POP as well as characteristics of a processing system such as network latency and bandwidth. The performance model has been validated to date on a medium-sized (128 processor) AlphaServer ES40 system with the QsNet-1 interconnection network, and also on a larger scale (2048 processor) Blue Gene/Light system. The accuracy of the performance model is high when using two standard benchmark configurations, one of which represents a realistic configuration similar to that used in Community Climate System Model coupled climate simulations. The performance model is also used to explore the performance of POP after possible optimizations to the code, and different task to processor assignment strategies, whose performance cannot be currently measured. C1 Los Alamos Natl Lab, Comp & Computat Sci Div CCS3, PAL, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Theoret Div T3, Los Alamos, NM 87545 USA. RP Kerbyson, DJ (reprint author), Los Alamos Natl Lab, Comp & Computat Sci Div CCS3, PAL, Los Alamos, NM 87545 USA. EM PWJONES@LANL.GOV NR 27 TC 31 Z9 33 U1 0 U2 0 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FAL PY 2005 VL 19 IS 3 BP 261 EP 276 DI 10.1177/1094342005056114 PG 16 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 957RR UT WOS:000231391500009 ER PT J AU Larson, J Jacob, R Ong, E AF Larson, J Jacob, R Ong, E TI The Model Coupling Toolkit: A new fortran90 toolkit for building multiphysics parallel coupled models SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE parallel computing; multiphysics; parallel coupling; coupled models ID CLIMATE SYSTEM MODEL AB Many problems in science and engineering are best simulated as a set of mutually interacting models, resulting in a coupled or multiphysics model. These models present challenges stemming from their interdisciplinary nature and from their computational and algorithmic complexities. The computational complexity of individual models, combined with the popularity of the distributed-memory parallel programming model used on commodity microprocessor-based clusters, results in a parallel coupling problem when building a coupled model. We define and elucidate this problem and how it results in a set of requirements for software capable of simplifying the construction of parallel coupled models. We describe the package, the Model Coupling Toolkit (MCT), which we have developed to meet these general requirements and the specific requirements of a parallel climate model. We present the MCT programming model with illustrative code examples. We present representative results that measure MCT's scalability, performance portability, and a proxy for coupling overhead. C1 Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Larson, J (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM LARSON@MCS.ANL.GOV RI Jacob, Robert/D-2580-2011 OI Jacob, Robert/0000-0002-9444-6593 NR 24 TC 96 Z9 100 U1 2 U2 13 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FAL PY 2005 VL 19 IS 3 BP 277 EP 292 DI 10.1177/1094342005056115 PG 16 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 957RR UT WOS:000231391500010 ER PT J AU Jacob, R Larson, J Ong, E AF Jacob, R Larson, J Ong, E TI M x N communication and parallel interpolation in Community Climate System Model version 3 using the Model Coupling Toolkit SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE parallel coupling; parallel communication; climate modeling; coupled models AB The Model Coupling Toolkit (MCT) is a software library for constructing parallel coupled models from individual parallel models. MCT was created to address the challenges of creating a parallel coupler for the Community Climate System Model (CCSM). Each of the submodels that make up CCSM is a separate parallel application with its own domain decomposition, running on its own set of processors. This application contains multiple instances of the M x N problem, the problem of transferring data between two parallel programs running on disjoint sets of processors. CCSM also requires efficient data transfer to facilitate its interpolation algorithms. MCT was created as a generalized solution to handle these and other common functions in parallel coupled models. Here we describe MCT's implementation of the data transfer infrastructure needed for a parallel coupled model. The performance of MCT scales satisfactorily as processors are added to the system. However, the types of decompositions used in the submodels can affect performance. MCT's infrastructure provides a flexible and high-performing set of tools for enabling interoperability between parallel applications. C1 Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM JACOB@MCS.ANL.GOV RI Jacob, Robert/D-2580-2011 OI Jacob, Robert/0000-0002-9444-6593 NR 25 TC 48 Z9 49 U1 0 U2 9 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 EI 1741-2846 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FAL PY 2005 VL 19 IS 3 BP 293 EP 307 DI 10.1177/1094342005056116 PG 15 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 957RR UT WOS:000231391500011 ER PT J AU Craig, AP Jacob, R Kauffman, B Bettge, T Larson, J Ong, E Dingo, C He, Y AF Craig, AP Jacob, R Kauffman, B Bettge, T Larson, J Ong, E Dingo, C He, Y TI Cpl6: The new extensible, high performance parallel coupler for the Community Climate System Model SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE parallel coupler; CCSM; climate modeling; coupled models AB Coupled climate models are large, multiphysics applications designed to simulate the Earth's climate and predict the response of the climate to any changes in the forcing or boundary conditions. The Community Climate System Model (CCSM) is a widely used state-of-the-art climate model that has released several versions to the climate community over the past ten years. Like many climate models, CCSM employs a coupler, a functional unit that coordinates the exchange of data between parts of the climate system such as the atmosphere and ocean. In this paper we describe the new coupler, cp16, contained in the latest version of CCSM, CCSM3. Cp16 introduces distributed-memory parallelism to the coupler, a class library for important coupler functions, and a standardized interface for component models. Cp16 is implemented entirely in Fortran90 and uses the Model Coupling Toolkit as the base for most of its classes. Cp16 gives improved performance over previous versions and scales well on multiple platforms. C1 Natl Ctr Atmospher Res, Climate & Global Dynam Div, Boulder, CO 80305 USA. Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. Natl Ctr Atmospher Res, Div Comp Sci, Boulder, CO 80305 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Craig, AP (reprint author), Natl Ctr Atmospher Res, Climate & Global Dynam Div, Boulder, CO 80305 USA. EM JACOB@MCS.ANL.GOV RI Jacob, Robert/D-2580-2011 OI Jacob, Robert/0000-0002-9444-6593 NR 16 TC 38 Z9 46 U1 0 U2 8 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FAL PY 2005 VL 19 IS 3 BP 309 EP 327 DI 10.1177/1094342005056117 PG 19 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 957RR UT WOS:000231391500012 ER PT J AU He, Y Ding, CHQ AF He, Y Ding, CHQ TI Coupling multicomponent models with MPH on distributed memory computer architectures SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE multicomponent; multi-executable; component integration; distributed memory architecture; climate modeling; Community Climate System Model; Parallel Climate Model AB A growing trend in developing large and complex applications on today's Teraflop-scale computers is to integrate standalone and/or semi-independent program components into a comprehensive simulation package. One example is the Community Climate System Model, which consists of atmosphere, ocean, land-surface, and sea ice components. Each component is semi-independent and has been developed at a different institution. We study how this multicomponent, multi-executable application can run effectively on distributed memory architectures. For the first time, we clearly identify five effective execution modes and develop the MPH library to support application development utilizing these modes. MPH performs component-name registration, resource allocation and initial component handshaking in a flexible way. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. RP He, Y (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. EM YHE@LBL.GOV; CHQDING@LBL.GOV NR 16 TC 2 Z9 2 U1 0 U2 0 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FAL PY 2005 VL 19 IS 3 BP 329 EP 340 DI 10.1177/1094342005056118 PG 12 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 957RR UT WOS:000231391500013 ER PT J AU Kopasz, JP Applegate, D Miller, L Liao, HK Ahmed, S AF Kopasz, JP Applegate, D Miller, L Liao, HK Ahmed, S TI Unraveling the maze: Understanding of diesel reforming through the use of simplified fuel blends SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE autothermal reforming; diesel; dodecane AB Diesel and logistics fuels offer high energy storage in very convenient transportable forms. However, converting these fuels to hydrogen for use in a fuel cell has proven a difficult task. The task is made more difficult by the complex nature of the fuels, which makes following the chemistry close to impossible. By utilizing simplified mixtures, we are developing an understanding of diesel reforming and how factors such as H2O: C and O-2: C ratios, temperature, and fuel composition affect the reactions. Intermediates in the oxidation and coke-forming reactions have been identified which allow us to follow the desired reactions as well as undesirable side reactions. Using the information from the simplified systems, we are then able to build up an understanding of the more complex real-world system. (c) 2005 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Kopasz, JP (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM kopasz@cmt.anl.gov NR 8 TC 32 Z9 32 U1 0 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-3199 J9 INT J HYDROGEN ENERG JI Int. J. Hydrog. Energy PD SEP PY 2005 VL 30 IS 11 BP 1243 EP 1250 DI 10.1016/j.ijhydene.2005.02.012 PG 8 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 953KE UT WOS:000231074300006 ER PT J AU Hermann, A Chaudhuri, T Spagnol, P AF Hermann, A Chaudhuri, T Spagnol, P TI Bipolar plates for PEM fuel cells: A review SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article; Proceedings Paper CT International Symposium on Solar-Hydrogen-Fuel Cell CY 2003 CL Cancun, MEXICO ID STAINLESS-STEEL; COMPOSITE; DESIGN; COST AB Bipolar plates (BPs) are a key component of proton exchange membrane (PEM) fuel cells with multifunctional character. They uniformly distribute fuel gas and air, conduct electrical current from cell to cell, remove heat from the active area, and prevent leakage of gases and coolant. BPs also significantly contribute to the volume, weight and cost of PEM fuel cell stacks. Hence, there are vigorous efforts worldwide to find suitable materials for BPs. The materials include non-porous graphite, coated metallic sheets, polymer composites, etc. This paper reviews various types of materials, in use and proposed, for BPs and critically examines their physical and chemical properties. (c) 2005 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved. C1 Univ Colorado, Dept Phys, Boulder, CO 80309 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Hermann, A (reprint author), Univ Colorado, Dept Phys, Boulder, CO 80309 USA. EM Allen.hennann@colorado.edu NR 34 TC 394 Z9 402 U1 12 U2 89 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-3199 J9 INT J HYDROGEN ENERG JI Int. J. Hydrog. Energy PD SEP PY 2005 VL 30 IS 12 BP 1297 EP 1302 DI 10.1016/j.ijhydene.2005.04.016 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 954MH UT WOS:000231158700002 ER PT J AU Bartolozzi, M Drozdz, S Leinweber, DB Speth, J Thomas, AW AF Bartolozzi, M Drozdz, S Leinweber, DB Speth, J Thomas, AW TI Self-similar log-periodic structures in western stock markets from 2000 SO INTERNATIONAL JOURNAL OF MODERN PHYSICS C LA English DT Article DE discrete scale invariance; econophysics; complex systems ID DISCRETE-SCALE-INVARIANCE; ORGANIZED CRITICALITY; ANTI-BUBBLE; CRASHES; US; EXPLANATION; ANTIBUBBLE; NOISE AB The presence of log-periodic structures before and after stock market crashes is considered to be an imprint of an intrinsic discrete scale invariance (DSI) in this complex system. The fractal framework of the theory leaves open the possibility of observing self-similar log-periodic structures at different time scales. In the present work, we analyze the daily closures of four of the most important indices worldwide since 2000: the DAX for Germany and the NASDAQ-100, the S&P 500 and the Dow Jones for the United States. The qualitative behavior of these different markets is similar during the temporal frame studied. Evidence is found for decelerating log-periodic oscillations of duration about two years and starting in September 2000. Moreover, a nested sub-structure starting in May 2002 is revealed, bringing more evidence to support the hypothesis of self-similar, log-periodic behavior. Ongoing log-periodic oscillations are also revealed. A Lomb analysis over the aforementioned periods indicates a preferential scaling factor lambda similar to 2. Higher order harmonics are also present. The spectral pattern of the data has been found to be similar to that of a Weierstrass-type function, used as a prototype of a log-periodic fractal function. C1 Univ Adelaide, Special Res Ctr Subatom Struct Matter, Adelaide, SA 5005, Australia. Inst Nucl Phys, PL-31342 Krakow, Poland. Univ Rzeszow, Inst Phys, PL-35310 Rzeszow, Poland. Forschungszentrum Julich, Inst Kernphys, D-52425 Julich, Germany. Jefferson Lab, Newport News, VA 23606 USA. RP Bartolozzi, M (reprint author), Univ Adelaide, Special Res Ctr Subatom Struct Matter, Adelaide, SA 5005, Australia. EM mbartolo@physics.adelaide.edu.au RI Thomas, Anthony/G-4194-2012; Leinweber, Derek/J-6705-2013 OI Thomas, Anthony/0000-0003-0026-499X; Leinweber, Derek/0000-0002-4745-6027 NR 29 TC 24 Z9 25 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0129-1831 J9 INT J MOD PHYS C JI Int. J. Mod. Phys. C PD SEP PY 2005 VL 16 IS 9 BP 1347 EP 1361 DI 10.1142/S0129183105007972 PG 15 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 975CJ UT WOS:000232638300002 ER PT J AU Ozawa, T Afzal, J Lamborn, KR Bollen, AW Bauer, WF Koo, MS Kahl, SB Deen, DF AF Ozawa, T Afzal, J Lamborn, KR Bollen, AW Bauer, WF Koo, MS Kahl, SB Deen, DF TI Toxicity, biodistribution, and convection-enhanced delivery of the boronated porphyrin BOPP in the 9L intracerebral rat glioma model SO INTERNATIONAL JOURNAL OF RADIATION ONCOLOGY BIOLOGY PHYSICS LA English DT Article DE boron neutron capture therapy; boronated porphyrin; brain tumor; toxicity; convection-enhanced delivery ID NEUTRON-CAPTURE THERAPY; BLOOD-BRAIN-BARRIER; CHEMOTHERAPY; SURVIVAL AB Purpose: To investigate the toxicity, biodistribution, and convection-enhanced delivery (CED) of a boronated porphyrin (BOPP) that was designed for boron neutron capture therapy and photodynamic therapy. Methods and Materials: For the toxicity study, Fischer 344 rats were injected with graded concentrations of BOPP (35-100 mg/kg) into the tail vein. For boron biodistribution studies, 9L tumor-bearing rats received BOPP either systematically (intravenously) or locally. Results: All rats that received 70 mg/kg BOPP and 70% of rats that received <= 60 mg/kg BOPP i.v. either had to be euthanized or died within 4 days of injection. In the biodistribution study, boron levels were relatively high in liver, kidney, spleen, and adrenal gland tissue, and moderate levels were found in all other organs. The maximum tumor boron concentration was 21.4 mu g/g at 48 h after i.v. injection; this concentration of boron in brain tumors is at the low end of the range considered optimal for therapy. In addition, the tumor/blood ratio (approximately 1.2) was not optimal. When BOPP was delivered directly into intracerebral 9L tumors with CED, we obtained tumor boron concentrations much greater than those obtained by i.v. injection. Convection-enhanced delivery of 1.5 mg BOPP produced an average tumor boron level of 519 mu g/g and a tumor/blood ratio of approximately 1850:1. Conclusions: Our study demonstrates that changing the method of BOPP delivery from i.v. to CED significantly enhances the boron concentration in tumors and produces very favorable tumor/brain and tumor/blood ratios. (c) 2005 Elsevier Inc. C1 Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94143 USA. Univ Calif San Francisco, Dept Neurol Surg, San Francisco, CA 94143 USA. Univ Calif San Francisco, Dept Radiat Oncol, San Francisco, CA 94143 USA. Idaho Natl Engn Lab, Idaho Falls, ID 83415 USA. RP Kahl, SB (reprint author), Univ Calif San Francisco, Dept Pharmaceut Chem, 513 Parnassus Ave,Room S-1122, San Francisco, CA 94143 USA. EM sbkahl@itsa.ucsf.edu RI Bauer, William/B-8357-2016 OI Bauer, William/0000-0002-7190-9700 FU NCI NIH HHS [CA-13525, CA-82478] NR 16 TC 13 Z9 14 U1 0 U2 6 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0360-3016 J9 INT J RADIAT ONCOL JI Int. J. Radiat. Oncol. Biol. Phys. PD SEP 1 PY 2005 VL 63 IS 1 BP 247 EP 252 DI 10.1016/j.ijrobp.2005.05.030 PG 6 WC Oncology; Radiology, Nuclear Medicine & Medical Imaging SC Oncology; Radiology, Nuclear Medicine & Medical Imaging GA 956TK UT WOS:000231322500031 PM 16111595 ER PT J AU Iihara, J Muramatsu, Y Takebe, T Sawamura, A Namba, A Imai, T Denlinger, JD Perera, RCC AF Iihara, J Muramatsu, Y Takebe, T Sawamura, A Namba, A Imai, T Denlinger, JD Perera, RCC TI Element-selective observation of electronic structure transition between semiconducting and metallic states in boron-doped diamond using soft X-ray emission and absorption spectroscopy SO JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS LA English DT Article DE diamond; impurity; defect; electrical property; electronic structure; synchrotron radiation; X-ray spectroscopy; Mott transition ID FILMS; NITRIDE; SPECTRA AB The electronic structure transition between the semiconducting and metallic states in boron (B)-doped diamonds was elementselectively observed by soft X-ray emission and absorption spectroscopy using synchrotron radiation.. For lightly B-doped diamonds, the B 2p-density of states (DOS) in the valence band was enhanced with a steep-edae feature near the Fermi level, and localized acceptor levels, which are characteristic of semiconductors, were clearly observed both in B 2p- and C 2p-DOS in the conduction bands. For heavily B-doped diamonds, the localized acceptor levels developed into extended energy levels and the new energy levels generated formed an extended conduction band structure that overlapped with the valence band. Thus, the metallic energy band structure is actually formed by heavy boron doping. These valence and conduction band structures observed by soft X-ray emission and absorption spectroscopy accounted for the electrical properties of B-doped diamonds. C1 Sumitomo Elect Ind Ltd, Anal Technol Res Ctr, Itami, Hyogo 6640016, Japan. JAERI, Kansai Res Estab, Mikazuki, Hyogo 6795148, Japan. Sumitomo Elect Ind Ltd, Semicond Technol R&D Labs, Itami, Hyogo 6640016, Japan. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Takebe, T (reprint author), Sumitomo Elect Ind Ltd, Anal Technol Res Ctr, 1-1-1 Koya Kita, Itami, Hyogo 6640016, Japan. EM takebet@sei.co.jp RI Sawamura, Atsushi/A-6907-2012 NR 17 TC 9 Z9 9 U1 0 U2 2 PU JAPAN SOC APPLIED PHYSICS PI TOKYO PA KUDAN-KITA BUILDING 5TH FLOOR, 1-12-3 KUDAN-KITA, CHIYODA-KU, TOKYO, 102-0073, JAPAN SN 0021-4922 J9 JPN J APPL PHYS 1 JI Jpn. J. Appl. Phys. Part 1 - Regul. Pap. Brief Commun. Rev. Pap. PD SEP PY 2005 VL 44 IS 9A BP 6612 EP 6617 DI 10.1143/JJAP.44.6612 PN 1 PG 6 WC Physics, Applied SC Physics GA 969UO UT WOS:000232260700050 ER PT J AU Chandross, M Lorenz, CA Grest, GS Stevens, MJ Webb, EB AF Chandross, M Lorenz, CA Grest, GS Stevens, MJ Webb, EB TI Nanotribology of anti-friction coatings in MEMS SO JOM LA English DT Article ID SELF-ASSEMBLED MONOLAYERS; ATOMIC-FORCE MICROSCOPY; AB-INITIO; TRIBOLOGICAL PROPERTIES; FRICTIONAL-PROPERTIES; CHAIN-LENGTH; SILICON; FIELD; LUBRICATION; SIMULATION AB The polysilicon surfaces used to manufacture microelectromechanical systems are often coated with organic self-assembled monolayers (SAMs) to reduce the adhesion and friction. While a large body of work exists on this topic, there is still not a fundamental understanding of the friction and adhesion between SAM-coated surfaces. This article reviews recent work on the nanotribology of SAM-coated silica surfaces. In particular, extensive molecular dynamics simulations have been performed to understand the effects of surface coverage, chain length, and fluorination on friction and adhesion. Also studied were the effects of interstitial water between the silica substrate and the SAM. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Chandross, M (reprint author), Sandia Natl Labs, 1515 Eubank SE, Albuquerque, NM 87185 USA. EM mechand@sandia.gov RI Lorenz, Christian/A-6996-2017 OI Lorenz, Christian/0000-0003-1028-4804 NR 23 TC 20 Z9 21 U1 3 U2 19 PU MINERALS METALS MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086 USA SN 1047-4838 J9 JOM-US JI JOM PD SEP PY 2005 VL 57 IS 9 BP 55 EP 61 DI 10.1007/s11837-005-0117-y PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 965PZ UT WOS:000231964000010 ER PT J AU Bringa, EM Caro, A Victoria, M Park, N AF Bringa, EM Caro, A Victoria, M Park, N TI The atomistic modeling of wave propagation in nanocrystals SO JOM LA English DT Article ID DIRECT NUMERICAL-SIMULATION; SHOCK-WAVES; POLYCRYSTALLINE METALS; PLASTIC-DEFORMATION; COPPER; STRENGTH; STEEL; TRANSITIONS AB This paper presents non-equilibrium molecular dynamics simulations of wave propagation in nanocrystals. The width of the traveling wave front increases with grain size, d, as d(1/2). This width also decreases with the pressure behind the front. When the results are extrapolated to micro-crystals, reasonable agreement with experimental data is obtained. In addition, this extrapolation agrees with models that only take into account the various velocities of propagation along different crystalline orientations without including grain boundary effects. The results indicate that, even at the nanoscale, the role of grain boundaries as scattering centers or as sources of plasticity does not increase significantly the width of the traveling wave. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Bringa, EM (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM ebringa@llnl.gov RI Bringa, Eduardo/F-8918-2011 NR 36 TC 19 Z9 20 U1 0 U2 7 PU MINERALS METALS MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086 USA SN 1047-4838 J9 JOM-US JI JOM PD SEP PY 2005 VL 57 IS 9 BP 67 EP 70 DI 10.1007/s11837-005-0119-9 PG 4 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 965PZ UT WOS:000231964000012 ER PT J AU Battaile, CC Hoyt, JJ AF Battaile, CC Hoyt, JJ TI Modeling the effects of impurities on microstructure formation in nanocrystalline nickel thin films SO JOM LA English DT Article ID MICROSYSTEM APPLICATIONS; ALLOYS AB The Atomic Kinetic Lattice Monte Carlo method was used to model the effects of a clustering impurity species on the deposition of nanocrystalline nickel films onto (001) copper. The deposition model was partly parameterized by physical inputs from atomistic calculations of copper-nickel alloys. The grain size and shape is shown to depend on the concentration of impurities in the deposited film. Low concentrations yield elongated columnar grains, while higher concentrations produce much smaller and more equiaxed grains. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ccbatta@sandia.gov NR 7 TC 0 Z9 0 U1 0 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD SEP PY 2005 VL 57 IS 9 BP 71 EP 73 DI 10.1007/s11837-005-0120-3 PG 3 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 965PZ UT WOS:000231964000013 ER PT J AU Singh, DJ Ghita, M Halilov, SV Fornari, M AF Singh, DJ Ghita, M Halilov, SV Fornari, M TI The role of Pb in piezoelectrics and possible substitutions for it SO JOURNAL DE PHYSIQUE IV LA English DT Article; Proceedings Paper CT Meeting on Electro-Active Materials and Sustainable Growth CY MAY 23-25, 2005 CL Abbey les Vaux de Cernay, FRANCE ID ANTIFERROELECTRIC PBZRO3; LATTICE-DYNAMICS; BARIUM-TITANATE; LOCAL-STRUCTURE; 1ST PRINCIPLES; SOLID-SOLUTION; PHASE; INSTABILITIES; STABILITY; BATIO3 AB The interplay between the various patterns of structural instability that are related to the electromechanical coupling in ferroelectric perovskites is discussed using results of density functional based first principles calculations. We focus on two main issues: (1) the competition between tetragonal and rhombohedral ferroelectric states in A-site driven (tolerance factor, t < 1 ) perovskites, and (2) the competition of ferroelectricity and antiferroelectric octahedral rotation. The role of Pb is reviewed in terms of cross gap hybridization of Pb 6p states with O 2p orbitals, and an alternate mechanism for reducing the tendency towards tilt instabilities in low tolerance factor perovskites based on frustration is discussed. C1 Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37830 USA. Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48859 USA. RJ Mears LLC, Waltham, MA 02451 USA. RP Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37830 USA. RI Fornari, Marco/C-8848-2012; Singh, David/I-2416-2012 OI Fornari, Marco/0000-0001-6527-8511; NR 27 TC 18 Z9 18 U1 0 U2 5 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 1155-4339 J9 J PHYS IV JI J. Phys. IV PD SEP PY 2005 VL 128 BP 47 EP 53 DI 10.1051/jp4:2005128008 PG 7 WC Physics, Multidisciplinary SC Physics GA 972CB UT WOS:000232430400009 ER PT J AU Short, M Carlin, BP Gelfand, AE AF Short, M Carlin, BP Gelfand, AE TI Bivariate spatial process modeling for constructing indicator or intensity weighted spatial CDFs SO JOURNAL OF AGRICULTURAL BIOLOGICAL AND ENVIRONMENTAL STATISTICS LA English DT Article DE Bayesian methods; change of support problem; environmental justice; Geographic Information System (GIS); Kriging; Markov chain Monte Carlo methods ID PREDICTION AB A spatial cumulative distribution function (SCDF) gives the proportion of a spatial domain D having the value of some response variable less than a particular level w. This article provides a fully hierarchical approach to SCDF modeling, using a Bayesian framework implemented via Markov chain Monte Carlo (MCMC) methods. The approach generalizes the customary SCDF to accommodate density or indicator weighting. Bivariate spatial processes emerge as a natural approach for framing such a generalization. Indicator weighting leads to conditional SCDFs, useful in studying, for example, adjusted exposure to one pollutant given a specified level of exposure to another. Intensity weighted (or population density weighted) SCDFs are particularly natural in assessments of environmental justice, where it is important to determine if a particular sociodemographic group is being excessively exposed to harmful levels of certain pollutants. MCMC methods (combined with a convenient Kronecker structure) enable straightforward estimates or approximate estimates of bivariate, conditional, and weighted SCDFs. We illustrate our methods with two air pollution datasets, one recording both nitric oxide (NO) and nitrogen dioxide (NO2) ambient levels at 67 monitoring sites in central and southern California, and the other concerning ozone exposure and race in Atlanta, GA. C1 Los Alamos Natl Lab, Stat Sci Grp D 1, Los Alamos, NM 87545 USA. Univ Minnesota, Sch Publ Hlth, Div Biostat, Minneapolis, MN 55455 USA. Duke Univ, Inst Stat & Decis Sci, Durham, NC 27708 USA. RP Short, M (reprint author), Los Alamos Natl Lab, Stat Sci Grp D 1, POB 1663,MS F600, Los Alamos, NM 87545 USA. EM mbshort@lanl.gov; brad@biostat.umn.edu; alan@stat.duke.edu NR 12 TC 8 Z9 8 U1 0 U2 1 PU AMER STATISTICAL ASSOC & INTERNATIONAL BIOMETRIC SOC PI WASHINGTON PA 1444 I ST NW, STE 700, WASHINGTON, DC 20005 USA SN 1085-7117 J9 J AGR BIOL ENVIR ST JI J. Agric. Biol. Environ. Stat. PD SEP PY 2005 VL 10 IS 3 BP 259 EP 275 DI 10.1198/108571105X58568 PG 17 WC Biology; Mathematical & Computational Biology; Statistics & Probability SC Life Sciences & Biomedicine - Other Topics; Mathematical & Computational Biology; Mathematics GA 959BH UT WOS:000231491400001 ER PT J AU Gerward, L Olsen, JS Petit, L Vaitheeswaran, G Kanchana, V Svane, A AF Gerward, L Olsen, JS Petit, L Vaitheeswaran, G Kanchana, V Svane, A TI Bulk modulus of CeO2 and PrO2 - An experimental and theoretical study SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE X-ray diffraction; crystal binding and equation of state; electron band calculation; synchrotron radiation; high pressure ID INDUCED PHASE-TRANSFORMATION; HIGH-PRESSURE; ELECTRONIC-STRUCTURE; FLUORITE STRUCTURE; VALENCE; GPA; OXIDES; STATES; CERIUM; HFO2 AB The high-pressure structural behaviour of CeO2 and PrO2 has been investigated by synchrotron X-ray diffraction at pressures up to 20 and 35 GPa, respectively. The experiments are accompanied by first principles calculations using the self-interaction corrected local spin density (SIC-LSD) approximation. The experimental values for the zero-pressure bulk modulus of CeO2 and PrO2 are 220(9) and 187(8) GPa, respectively. Our calculations reproduce the lattice constants with good accuracy, but find identical bulk modulii for CeO2 (176.9 GPa) and PrO2 (176.8 GPa). (c) 2005 Elsevier B.V. All rights reserved. C1 Tech Univ Denmark, Dept Phys, DK-2800 Lyngby, Denmark. Univ Copenhagen, Oersted Lab, Niels Bohr Inst, DK-2100 Copenhagen, Denmark. Oak Ridge Natl Lab, Ctr Computat Sci, Computat Sci & Math Div, Oak Ridge, TN 37831 USA. Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany. Univ Aarhus, Dept Phys & Astron, DK-8000 Aarhus, Denmark. RP Gerward, L (reprint author), Tech Univ Denmark, Dept Phys, Fysikvej 307, DK-2800 Lyngby, Denmark. EM gerward@fysik.dtu.dk RI Petit, Leon/B-5255-2008; Gerward, Leif/A-7843-2011; OI Petit, Leon/0000-0001-6489-9922 NR 43 TC 101 Z9 105 U1 9 U2 36 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 SEP 1 PY 2005 VL 400 IS 1-2 BP 56 EP 61 DI 10.1016/j.jallcom.2005.04.008 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 963HQ UT WOS:000231795300011 ER PT J AU Park, S Kang, KH Han, WQ Vogt, T AF Park, S Kang, KH Han, WQ Vogt, T TI Synthesis and characterization of Bi nanorods and superconducting NiBi particles SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE hydrothermal reduction; nanorods; superconductor ID TRANSPORT-PROPERTIES; NANOTUBES; BISMUTH; NANOCRYSTALLITES; SUPERLATTICES; NANOPARTICLES; TEMPERATURE; NANOWIRES AB Bi nanorods and NiBi particles were prepared using a simple hydrothermal reduction method at moderate temperatures of 150 degrees C. Transmission electron microscopy (TEM) reveals pure Bi nanorods with diameters of about 50 nm and superconducting NiBi particles. The magnetic susceptibility (chi) of the superconducting NiBi was measured as a function of temperature at 10 Oe. (c) 2005 Elsevier B.V. All rights reserved. C1 Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. RP Vogt, T (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM tvogt@bnl.gov RI Han, WQ/E-2818-2013; Vogt, Thomas /A-1562-2011 OI Vogt, Thomas /0000-0002-4731-2787 NR 30 TC 13 Z9 13 U1 2 U2 21 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 SEP 1 PY 2005 VL 400 IS 1-2 BP 88 EP 91 DI 10.1016/j.jallcom.2005.03.063 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 963HQ UT WOS:000231795300016 ER PT J AU Quinn, DD Segalman, DJ AF Quinn, DD Segalman, DJ TI Using series-series Iwan-type models for understanding joint dynamics SO JOURNAL OF APPLIED MECHANICS-TRANSACTIONS OF THE ASME LA English DT Article ID VIBRATORY RESPONSE; FRICTION; MICROSLIP AB In mechanical assemblies, the energy loss induced by joints and interfaces can account for a significant portion of the overall structural dissipation. This work considers the dynamical behavior of an elastic rod on a frictional foundation as a model for the dissipation introduced by micro-slip in mechanical joints. In a quasi-static loading limit, the deformation of the rod and hence the frictional dissipation can be solved in closed form. The resulting model is a continuum model of series arrangements of parallel Jenkins elements. For a general class of normal load distributions, the resulting energy loss per forcing cycle follows a power-law and is qualitatively similar to observed experimental findings. Finally, these results are compared with those obtained from a discrete formulation of the rod including inertial effects. For loading conditions that are consistent with mechanical joints, the numerical results from the discrete model are consistent with the closed form predictions obtained in the quasistatic limit. C1 Univ Akron, Dept Mech Engn, Akron, OH 44325 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Quinn, DD (reprint author), Univ Akron, Dept Mech Engn, Akron, OH 44325 USA. EM quinn@uakron.edu; djsegal@sandia.gov RI Quinn, Dane/D-4757-2009 OI Quinn, Dane/0000-0001-7790-7768 NR 19 TC 32 Z9 33 U1 0 U2 1 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0021-8936 J9 J APPL MECH-T ASME JI J. Appl. Mech.-Trans. ASME PD SEP PY 2005 VL 72 IS 5 BP 666 EP 673 DI 10.1115/1.1978918 PG 8 WC Mechanics SC Mechanics GA 965PW UT WOS:000231963700005 ER PT J AU Segalman, DJ Starr, MJ Heinstein, MW AF Segalman, DJ Starr, MJ Heinstein, MW TI New approximations for elastic spheres under an oscillating torsional couple SO JOURNAL OF APPLIED MECHANICS-TRANSACTIONS OF THE ASME LA English DT Article ID CONTACT AB The Lubkin solution for two spheres pressed together and then subjected to a monotonically increasing axial couple is examined numerically. The Deresiewicz asymptotic solution is compared to the full solution and its utility is evaluated. Alternative approximations for the Lubkin solution are suggested and compared. One approximation is a Pade rational function which matches the analytic solution over all rotations. The other is an exponential approximation that reproduces the asymptotic values of the analytic solution at infinitesimal and infinite rotations. Finally, finite element solutions for the Lubkin problem are compared with the exact and approximate solutions. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Segalman, DJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM djsegal@sandia.gov NR 10 TC 5 Z9 5 U1 0 U2 2 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0021-8936 J9 J APPL MECH-T ASME JI J. Appl. Mech.-Trans. ASME PD SEP PY 2005 VL 72 IS 5 BP 705 EP 710 DI 10.1115/1.1985430 PG 6 WC Mechanics SC Mechanics GA 965PW UT WOS:000231963700010 ER PT J AU Segalman, DJ AF Segalman, DJ TI A four-parameter Iwan model for lap-type joints SO JOURNAL OF APPLIED MECHANICS-TRANSACTIONS OF THE ASME LA English DT Article AB The constitutive behavior of mechanical joints is largely responsible for the energy dissipation and vibration damping in built-up structures. For reasons arising from the dramatically different length scales associated with those dissipative mechanisms and the length scales characteristic of the overall structure, this physics cannot be captured through direct numerical simulation (DNS) of the contact mechanics within a structural dynamics analysis. The difficulties of DNS manifest themselves either in terms of Courant times that are orders of magnitude smaller than that necessary for structural dynamics analysis or as intractable conditioning problems. The only practical method for accommodating the nonlinear nature of joint mechanisms within structural dynamic analysis is through constitutive models employing degrees of freedom natural to the scale of structural dynamics. In this way, development of constitutive models for joint response is a prerequisite for a predictive structural dynamics capability. A four-parameter model, built on a framework developed by Iwan, is used to reproduce the qualitative and quantitative properties of lap-type joints. In the development presented here, the parameters are deduced by matching joint stiffness under low load, the force necessary to initiate macroslip, and experimental values of energy dissipation in harmonic loading. All the necessary experiments can be performed on real hardware or virtually via fine-resolution, nonlinear quasistatic finite elements. The resulting constitutive model can then be used to predict the force/displacement results from arbitrary load histories. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Segalman, DJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM djsegal@sandia.gov NR 15 TC 56 Z9 64 U1 0 U2 5 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0021-8936 J9 J APPL MECH-T ASME JI J. Appl. Mech.-Trans. ASME PD SEP PY 2005 VL 72 IS 5 BP 752 EP 760 DI 10.1115/1.1989354 PG 9 WC Mechanics SC Mechanics GA 965PW UT WOS:000231963700017 ER PT J AU Berg, LK Zhong, SY AF Berg, LK Zhong, SY TI Sensitivity of MM5-simulated boundary layer characteristics to turbulence parameterizations SO JOURNAL OF APPLIED METEOROLOGY LA English DT Article ID MESOSCALE MODEL; CLOSURE-MODEL; SURFACE; MM5; DIFFUSION; CAMPAIGN; FLUXES AB The sensitivity of high-resolution mesoscale simulations to boundary layer turbulence parameterizations is investigated using the fifth-generation Pennsylvania State University-NCAR Mesoscale Model (MM5) and observations from two field campaigns. Three widely used turbulence parameterizations were selected for evaluation, two of which [Blackadar (BK) and Medium Range Forecast (MRF) schemes] are simple first-order nonlocal schemes and one [Gayno-Seaman (GS) scheme] of which is a more complex 1.5-order local scheme that solves a prognostic equation for turbulence kinetic energy (TKE). The two datasets are the summer 1996 Boundary Layer Experiment (BLX96) in the southern Great Plains and the autumn 2000 Vertical Transport and Mixing (VTMX) field campaign in the Salt Lake Valley in Utah. Comparisons are made between observed and simulated mean variables and turbulence statistics. Despite the differences in their complexity, all three schemes show similar skill predicting near-surface and boundary layer mean temperature, humidity, and winds at both locations. The BK and MRF schemes produced daytime boundary layers that are more mixed than those produced by the GS scheme. The mixed-layer depths are generally overestimated by the MRF scheme, underestimated by the GS scheme, and well estimated by the BK scheme. All of the schemes predicted surface latent heat fluxes that agreed reasonably well with the observed values, but they substantially overestimated surface sensible heat fluxes because of a significant overprediction of net radiation. In addition, each parameterization overestimated the sensible and latent heat flux aloft. The results suggest that there is little gain in the overall accuracy of forecasts with increasing complexity of turbulence parameterizations. C1 Pacific NW Natl Lab, Richland, WA 99325 USA. Univ Houston, Houston, TX USA. RP Berg, LK (reprint author), Pacific NW Natl Lab, K9-30, Richland, WA 99325 USA. EM larry.berg@pnl.gov RI Berg, Larry/A-7468-2016 OI Berg, Larry/0000-0002-3362-9492 NR 33 TC 54 Z9 58 U1 0 U2 6 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8763 J9 J APPL METEOROL JI J. Appl. Meteorol. PD SEP PY 2005 VL 44 IS 9 BP 1467 EP 1483 DI 10.1175/JAM2292.1 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 977BB UT WOS:000232776300013 ER PT J AU Di, ZF Huang, AP Fu, RKY Chu, PK Shao, L Hochbauer, T Nastasi, M Zhang, M Liu, WL Shen, QW Luo, ST Song, ZT Lin, CG AF Di, ZF Huang, AP Fu, RKY Chu, PK Shao, L Hochbauer, T Nastasi, M Zhang, M Liu, WL Shen, QW Luo, ST Song, ZT Lin, CG TI Thermal stability of diamondlike carbon buried layer fabricated by plasma immersion ion implantation and deposition in silicon on insulator SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID DLC FILMS; SPECTROSCOPY AB Diamondlike carbon (DLC) as a potential low-cost substitute for diamond has been extended to microelectronics and we have demonstrated the fabrication of silicon on diamond (SOD) as a silicon-on-insulator structure using plasma immersion ion implantation and deposition in conjunction with layer transfer and wafer bonding. The thermal stability of our SOD structure was found to be better than that expected for conventional DLC films. In the work reported here, we investigate the mechanism of the enhanced thermal stability. We compare the thermal stability of exposed and buried DLC films using Raman spectroscopy and x-ray photoelectron spectroscopy (XPS). Our Raman analysis indicates that the obvious separation of the D and G peaks indicative of nanocrystalline graphite emerges at 500 degrees C in the exposed DLC film. In contrast, the separation appears in the buried DLC film only at annealing temperatures above 800 degrees C. Analysis of the XPS C-1s core-level spectra shows that the (sp(3)+C-H) carbon content of the unprotected DLC film decreases rapidly between 300-700 degrees C indicating the rapid transformation of sp(3)-bonded carbon to sp(2)-bonded carbon combined with hydrogen evolution. In comparison, the decrease in the (sp(3)+C-H) carbon content of the buried DLC film is slower below 800 degrees C. Elastic recoil detection results show that this superior thermal stability is due to the slower hydrogen out diffusion from the buried DLC film thereby impeding the graphitization process. We propose that the SiO2 overlayer retards the graphitization process during annealing by shifting the chemical equilibrium. (c) 2005 American Institute of Physics. C1 CUNY, Dept Phys & Mat Sci, Kowloon, Hong Kong, Peoples R China. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Chinese Acad Sci, Shanghai Inst Microsyst & Informat Technol, Res Ctr Semicond Funct Dilm Engn Technol, Shanghai 200050, Peoples R China. Chinese Acad Sci, Shanghai Inst Microsyst & Informat Technol, State Key Lab Funct Mat Informat, Shanghai 200050, Peoples R China. RP Chu, PK (reprint author), CUNY, Dept Phys & Mat Sci, Tat Chee Ave, Kowloon, Hong Kong, Peoples R China. EM paul.chu@cityu.edu.hk RI di, zengfeng/B-1684-2010; Chu, Paul/B-5923-2013 OI Chu, Paul/0000-0002-5581-4883 NR 24 TC 14 Z9 14 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 SEP 1 PY 2005 VL 98 IS 5 AR 053502 DI 10.1063/1.2034651 PG 5 WC Physics, Applied SC Physics GA 964MQ UT WOS:000231885600007 ER PT J AU Kleinschmidt, H Ziegler, A Campbell, GH Colvin, JD Bostanjoglo, O AF Kleinschmidt, H Ziegler, A Campbell, GH Colvin, JD Bostanjoglo, O TI Phase transformation analysis in titanium at nanosecond time resolution SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID COMMERCIALLY PURE TITANIUM; X-RAY-DIFFRACTION; TI-6AL-4V; WELDS AB Polycrystalline and mosaic bicrystalline titanium films were subjected to steep heating/cooling rate of 10(11)/10(8) K s(-1) by laser pulsing. The induced phase transformations were followed by imaging and diffraction with a dynamic transmission electron microscope on the time scale of nanoseconds. On heating the film up to near the melting point with a 6-ns laser pulse, the low-temperature hcp phase transformed to the high-temperature bcc phase, with a nucleation rate of 10(25) m(-3) s(-1) and a crystal-growth velocity of about 1000 m s(-1). Quenching of molten Ti first produced the bcc phase, which in turn transformed to the hcp phase within a few microseconds. Thus, hcp-bcc transformations occur in Ti, even at the above high thermal rates. They are martensitic and not diffusion limited as claimed for transformations at low thermal rates. (c) 2005 American Institute of Physics. C1 Tech Univ Berlin, Inst Opt, D-10623 Berlin, Germany. Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Div Mat Sci & Technol, Chem & Mat Sci Directorate, Livermore, CA 94551 USA. Tech Univ Berlin, Inst Opt, D-10623 Berlin, Germany. RP Kleinschmidt, H (reprint author), Tech Univ Berlin, Inst Opt, Str 17 Juni 135, D-10623 Berlin, Germany. EM hkl@caltech.edu RI Campbell, Geoffrey/F-7681-2010 NR 16 TC 11 Z9 11 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD SEP 1 PY 2005 VL 98 IS 5 AR 054313 DI 10.1063/1.2035899 PG 6 WC Physics, Applied SC Physics GA 964MQ UT WOS:000231885600064 ER PT J AU Schwarz, RB Hooks, DE Dick, JJ Archuleta, JI Martinez, AR AF Schwarz, RB Hooks, DE Dick, JJ Archuleta, JI Martinez, AR TI Resonant ultrasound spectroscopy measurement of the elastic constants of cyclotrimethylene trinitramine SO JOURNAL OF APPLIED PHYSICS LA English DT Article AB We used a resonant ultrasound spectroscopy technique to measure the nine independent elastic constants of cyclotrimethylene trinitramine C3H6N6O6 also known by its code designation RDX. The measurements were made on a single crystal grown from acetone containing RDX in solution. The elastic constants in gigapascal units are C-11 = 25.6, C-22 = 21.3, C-33 = 19.0, C-23 = 6.4, C-31 = 5.72, C-12 = 8.67, C-44 = 5.38, C-55 = 4.27, and C-66 = 7.27. (c) 2005 American Institute of Physics. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Dynam Experimentat Div, Los Alamos, NM 87545 USA. RP Schwarz, RB (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM RXZS@LANL.GOV NR 8 TC 32 Z9 35 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 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD SEP 1 PY 2005 VL 98 IS 5 AR 056106 DI 10.1063/1.2037865 PG 3 WC Physics, Applied SC Physics GA 964MQ UT WOS:000231885600091 ER PT J AU Wescott, BL Stewart, DS Davis, WC AF Wescott, BL Stewart, DS Davis, WC TI Equation of state and reaction rate for condensed-phase explosives SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SHOCK INITIATION; DETONATION; PBX-9502; FLOWS AB The wide-ranging equation of state is a nonideal equation of state based on empirical fitting forms argued from thermodynamic considerations that yield the proper physical features of detonation. The complete equation of state forms are presented and the equation of state and a reaction rate are calibrated for the condensed-phase explosive PBX-9502. Experimental overdriven Hugoniot data are used to calibrate the products equation of state off the principal isentrope passing through the Chapman-Jouguet state. Shock Hugoniot data are used to calibrate the reactants equation of state. The normal detonation shock speed-shock curvature data (D-n-kappa) from rate-stick measurements and shock initiation data from wedge tests are used to calibrate the reaction rate. Simulations are carried out that predict detailed particle velocity transients that are measured experimentally with embedded electromagnetic gauge measurements from gas-gun experiments. Multidimensional simulations of steady detonation in a right circular cylinder rate stick are carried out and compared with experiment. (c) 2005 American Institute of Physics. C1 Univ Illinois, Dept Mech & Ind Engn, Urbana, IL 61801 USA. Univ Illinois, Dept Theoret & Appl Mech, Urbana, IL 61801 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Stewart, DS (reprint author), Univ Illinois, Dept Mech & Ind Engn, 1206 W Green St, Urbana, IL 61801 USA. EM dss@uiuc.edu NR 40 TC 46 Z9 47 U1 2 U2 27 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD SEP 1 PY 2005 VL 98 IS 5 AR 053514 DI 10.1063/1.2035310 PG 10 WC Physics, Applied SC Physics GA 964MQ UT WOS:000231885600019 ER PT J AU Yoshiya, S Matsui, N Komistek, RD Dennis, DA Mahfouz, M Kurosaka, M AF Yoshiya, S Matsui, N Komistek, RD Dennis, DA Mahfouz, M Kurosaka, M TI In vivo kinematic comparison of posterior cruciate-retaining and posterior stabilized total knee arthroplasties under passive and weight-bearing conditions SO JOURNAL OF ARTHROPLASTY LA English DT Article DE total knee arthroplasty; posterior cruciate-retaining; posterior stabilized; kinematics; fluoroscopic analysis ID CONTACT POSITIONS AB An in vivo comparison of flexion kinematics for posterior cruciate-retaining (PCR) and posterior stabilized (PS) total knee arthroplasty (TKA) was performed. Twenty patients who underwent bilateral paired TKAs were included in this prospective study. Both PCR and PS prostheses were from the same TKA series with comparable surface geometries, and all were implanted by a single surgeon. Of these 20 patients, 3-dimensional kinematics during flexion could be analyzed using a computer model fitting technique in 18 patients. The follow-up period ranged from 18 to 53 months. In the PCR TKA, an anterior femoral translation from 30 degrees to 60 degrees of flexion was observed in the weight-bearing condition. In contrast, flexion kinematics for the PS TKA was characterized by the maintenance of a constant contact position under weight-bearing conditions and posterior femoral rollback in passive flexion. C1 Kobe Univ, Dept Orthopaed Surg, Grad Sch Med, Chuo Ku, Kobe, Hyogo 6500017, Japan. Univ Tennessee, Dept Biomed Engn, Knoxville, TN USA. Oak Ridge Natl Lab, Oak Ridge, TN USA. Rocky Mt Musculoskeletal Res Lab, Denver, CO USA. RP Yoshiya, S (reprint author), Kobe Univ, Dept Orthopaed Surg, Grad Sch Med, Chuo Ku, Kobe, Hyogo 6500017, Japan. NR 15 TC 57 Z9 60 U1 2 U2 7 PU CHURCHILL LIVINGSTONE INC MEDICAL PUBLISHERS PI PHILADELPHIA PA CURTIS CENTER, INDEPENDENCE SQUARE WEST, PHILADELPHIA, PA 19106-3399 USA SN 0883-5403 J9 J ARTHROPLASTY JI J. Arthroplast. PD SEP PY 2005 VL 20 IS 6 BP 777 EP 783 DI 10.1016/j.arth.2004.11.012 PG 7 WC Orthopedics SC Orthopedics GA 966ID UT WOS:000232012400015 PM 16139716 ER PT J AU Kurzeja, R Pendergast, M Villa-Aleman, E AF Kurzeja, R Pendergast, M Villa-Aleman, E TI Measurements of the skin temperature on small lakes SO JOURNAL OF ATMOSPHERIC AND OCEANIC TECHNOLOGY LA English DT Article ID SEA-SURFACE TEMPERATURE; HEAT-FLUX; DIFFERENCE; SATELLITE AB An apparatus to measure the skin temperature and related variables on inland lakes is described. The apparatus is a transparent frame with sensors to measure the skin and bulk water temperature. the wind velocity, and the air temperature and humidity for periods of several days. The sensors are positioned within 1 m of the air-water interface and sample boundary layer variables every 2 s. Data for a 4-h period at midday are discussed, and the vertical fluxes of heat and momentum are calculated using bulk relationships for 1- and 5-min periods. It is shown that the measured water temperature at a depth of I cm correlates well with estimates based on the bulk heat flux. The skin temperature depression is calculated from the bulk heat and momentum fluxes and is found to vary between 0.4 degrees and 0.5 degrees C for the 4-h period and was in good agreement with the measured values. However, the calculated and measured skin temperatures were poorly correlated for both the I- and 5-min averages. This is believed to be due to departures from the steady-state assumptions or to deficiencies in the theory. C1 Westinghouse Savannah River Co, Savannah River Natl Lab, Aiken, SC 29808 USA. SMP Enterprises, Martinez, GA USA. RP Kurzeja, R (reprint author), Westinghouse Savannah River Co, Savannah River Natl Lab, Bldg 773-A, Aiken, SC 29808 USA. EM robert.kurzeja@srs.gov NR 10 TC 5 Z9 5 U1 0 U2 1 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0739-0572 J9 J ATMOS OCEAN TECH JI J. Atmos. Ocean. Technol. PD SEP PY 2005 VL 22 IS 9 BP 1423 EP 1432 DI 10.1175/JTECH1780.1 PG 10 WC Engineering, Ocean; Meteorology & Atmospheric Sciences SC Engineering; Meteorology & Atmospheric Sciences GA 973XS UT WOS:000232556500010 ER PT J AU ReVelle, DO AF ReVelle, DO TI The Mesopause as a physical penetration boundary SO JOURNAL OF ATMOSPHERIC AND SOLAR-TERRESTRIAL PHYSICS LA English DT Article; Proceedings Paper CT AGU Meeting on Meteors and the Mesopause CY 2003 CL San Francisco, CA SP AGU DE Mesopause; atmospheric penetration of meteoroids; meteoroid influx rate; entry dynamics modeling; meteor and bolide groups ID LARGE BOLIDES; ENTRY AB In this work we have analyzed the entry behavior of all known types of meteoroids using a single-body end height model in order to test their entry penetration into the earth's middle and upper atmosphere. We have utilized a new physically based model that incorporates a number of new features including a total power budget during entry as well as the very important processes of ablation and deceleration. More specifically, we have examined the meteoroid sizes and masses that are capable of terminating their visible flight at the Mesopause. In order to accomplish these calculations, we have assigned specific shape, shape change, angle of entry, radius, velocity, the kinetic energy removal D parameter of ReVelle, bulk density (or equivalently formulated in terms of uniform volume-weighted porosity), etc. We have further tested the reliability and done a test calibration of the model predictions utilizing an extreme entry case (for a Leonid bolide that penetrated to the Mesopause on November 15, 2001 and that was detected by photometry as well as by using infrasound). Finally, after assuming specific velocity limits for each group with the specific size limits being predicted by the model, we have also compared our predicted mass influx results (number per year on Earth versus initial mass) against recent Large Aperture Radar data obtained at the Arecibo Observatory by Janches (personal communication, 2003). Generally, quite small meteors are "stopped" at the Mesopause, but for the weakest materials, bodies as massive as similar to 0.14kg can be stopped above the Mesopause, especially at shallower entry angles. Generally reasonable agreement was found, but there are still a number of uncertainties as well. Eventually, this analysis should be redone using our advanced meteor modeling techniques including our triggered progressive fragmentation model, etc. ReVelle, 2001 a. Theoretical Leonid entry modeling, In: Warmbein, B., (Ed.), Proceedings of the Meteoroids 2001 Conference, Kiruna, Sweden, ESA (European Space Agency) SP-495. ESTEC, Noorwijk, The Netherlands, pp. 149-154; ReVelle, 2001b. Bolide dynamics and luminosity modeling: comparisons between uniform bulk density and porous meteoroid models. In: Warmbein, B. (Ed.), Proceedings of the Meteoroids 2001 Conference, Kiruna, Sweden, ESA (European Space Agency) SP-495. ESTEC, Noorwijk, The Netherlands, pp. 513-518; ReVelle, 2001c. Bolide fragmentation processes: single-body modeling versus the catastrophic fragmentation limit. In: Warmbein, B. (Ed.), Proceedings of the Meteoroids 2001 Conference, Kiruna, Sweden, ESA (European Space Agency) SP-495. ESTEC, Noorwijk, The Netherlands, pp. 491-496; ReVelle, 2001d. Bolide global infrasonic monitoring of large bolides. In: Warmbein, B. (Ed.), Proceedings of the Meteoroids 2001 Conference, Kiruna, Sweden, ESA (European Space Agency) SP-495. ESTEC, Noorwijk, The Netherlands, pp. 483-490; ReVelle, 2002a. Fireball dynamics, energetics, ablation, luminosity and fragmentation modeling. In: Warmbein, B. (Ed.), Proceedings of the ACM (asteroids, Comets and meteors) Conference, Berlin, Germany, ESA (European Space Agency) SP-500. ESTEC, Noorwijk, The Netherlands, pp. 127-136; ReVelle, 2002b. Porosity: a natural alternative explanation of bolide types, their atmospheric behavior and the implications. In: Warmbein, B. (Ed.), Proceedings of the ACM (asteroids, Comets and meteors) Conference, Berlin, Germany, ESA (European Space Agency) SP-500. ESTEC, Noorwijk, The Netherlands, pp. 233-2361. (c) 2005 Elsevier Ltd. All rights reserved. C1 Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. RP ReVelle, DO (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, POB 1663, Los Alamos, NM 87545 USA. EM revelle@lanl.gov NR 15 TC 3 Z9 3 U1 0 U2 0 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1364-6826 J9 J ATMOS SOL-TERR PHY JI J. Atmos. Sol.-Terr. Phys. PD SEP PY 2005 VL 67 IS 13 BP 1159 EP 1170 DI 10.1016/j.jastp.2005.06.002 PG 12 WC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences SC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences GA 967GG UT WOS:000232078900002 ER PT J AU Morrison, ML Buchanan, RA Leon, RV Liu, CT Green, BA Liaw, PK Horton, JA AF Morrison, ML Buchanan, RA Leon, RV Liu, CT Green, BA Liaw, PK Horton, JA TI The electrochemical evaluation of a Zr-based bulk metallic glass in a phosphate-buffered saline electrolyte SO JOURNAL OF BIOMEDICAL MATERIALS RESEARCH PART A LA English DT Article DE corrosion; zirconium; bulk metallic glass; amorphous; phosphate-buffered saline ID DENTAL CASTING ALLOYS; CORROSION BEHAVIOR; FATIGUE BEHAVIOR; AMORPHOUS ALLOY; MECHANICAL-PROPERTIES; ANODIC-POLARIZATION; LOCALIZED CORROSION; STAINLESS-STEEL; BONE; CRYSTALLIZATION AB Bulk metallic glasses (BMGs) represent an emerging class of materials with an amorphous structure and a unique combination of properties. The objectives of this investigation were to define the electrochemical behavior of a specific Zr-based BMG alloy in a physiologically relevant environment and to compare these properties to standard, crystalline biomaterials as well as other Zr-based BMG compositions. Cyclic-anodic-polarization studies were conducted with a Zr52.5Cu17.9Ni14.6Al10.0Ti5.0 (at %) BMG in a phosphate-buffered saline electrolyte with a physiologically relevant oxygen content at 37 degrees C. The results were compared to three common, crystalline biomaterials: CoCrMo, 316L stainless steel, and Ti-6Al-4V. The BMG alloy was found to have a lower corrosion penetration rate (CPR), as compared to the 316L stainless steel, and an equivalent CPR, as compared to the CoCrMo and Ti-6Al-4V alloys. Furthermore, the BMG alloy demonstrated better localized corrosion resistance than the 316L stainless steel. However, the localized corrosion resistance of the BMG alloy was not as high as those of the CoCrMo and Ti-6Al-4V alloys in the tested environment. The excellent electrochemical properties demonstrated by the BMG alloy are combined with a low modulus and unparalleled strength. This unique combination of properties dramatically demonstrates the potential for amorphous alloys as a new generation of biomaterials. (c) 2005 Wiley Periodicals, Inc. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Univ Tennessee, Dept Stat Operat & Management Sci, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Morrison, ML (reprint author), Univ Tennessee, Dept Mat Sci & Engn, 434 Dougherty Engn Bldg, Knoxville, TN 37996 USA. EM mmorrison@utk.edu RI BAI, JIE/D-7448-2016; OI Morrison, Mark/0000-0003-1956-0932 NR 51 TC 66 Z9 70 U1 0 U2 20 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 1549-3296 J9 J BIOMED MATER RES A JI J. Biomed. Mater. Res. Part A PD SEP 1 PY 2005 VL 74A IS 3 BP 430 EP 438 DI 10.1002/jbm.a.30361 PG 9 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 954UG UT WOS:000231179900016 PM 16013063 ER PT J AU Lynn, AK Nakamura, T Patel, N Porter, AE Renouf, AC Laity, PR Best, SM Cameron, RE Shimizu, Y Bonfield, W AF Lynn, AK Nakamura, T Patel, N Porter, AE Renouf, AC Laity, PR Best, SM Cameron, RE Shimizu, Y Bonfield, W TI Composition-controlled nanocomposites of apatite and collagen incorporating silicon as an osseopromotive agent SO JOURNAL OF BIOMEDICAL MATERIALS RESEARCH PART A LA English DT Article DE collagen; apatite; silicon; composite; bone ID SELF-ORGANIZATION MECHANISM; MATRIX IN-VITRO; OCTACALCIUM PHOSPHATE; SUBSTITUTED HYDROXYAPATITE; FUSION MODEL; BONE; GROWTH; BIOMATERIAL; TEMPERATURE; CERAMICS AB The development of a novel biocomposite of apatite (Ap) and collagen incorporating low-level additions of silicon (Si) as an osseopromotive agent is detailed. Designed to mimic the structural and compositional characteristics of developing bone, this composite is produced via a coprecipitation method, through which the weight percentage of Ap (i.e., the Ap/collagen ratio) can be varied. Coprecipitates produced at Ap contents of 80 wt % (Ap/collagen = 4:1), 60 wt % (Ap/collagen = 3:2), and 40 wt % (Ap/collagen = 2:3) Ap showed markedly different morphologies, ranging from ceramic-like particulates to rope-like macro-fibrils; at all three Ap contents, however, the nanostructural features of the composites remained qualitatively indistinguishable, with equiaxed Ap nanocrystals distributed randomly throughout a matrix of amorphous collagen. Si incorporation was observed to occur preferentially in the collagenous phase-a result with potential impact on local controlled release of Si. (c) 2005 Wiley Periodicals, Inc. C1 Univ Cambridge St Johns Coll, Cambridge Ctr Med Mat, Dept Mat Sci & Met, Cambridge CB2 1TP, England. Kyoto Univ, Inst Frontier Med Sci, Dept Bioartificial Organs, Sakyo Ku, Kyoto 6068507, Japan. Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. RP Lynn, AK (reprint author), Univ Cambridge St Johns Coll, Cambridge Ctr Med Mat, Dept Mat Sci & Met, Pembroke St, Cambridge CB2 1TP, England. EM andrew.k.lynn@cantab.net OI Laity, Peter/0000-0001-8608-875X NR 37 TC 30 Z9 32 U1 1 U2 6 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 1549-3296 J9 J BIOMED MATER RES A JI J. Biomed. Mater. Res. Part A PD SEP 1 PY 2005 VL 74A IS 3 BP 447 EP 453 DI 10.1002/jbm.a.30373 PG 7 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 954UG UT WOS:000231179900018 PM 15983990 ER PT J AU Kruzic, JJ Kuskowski, SJ Ritchie, RO AF Kruzic, JJ Kuskowski, SJ Ritchie, RO TI Simple and accurate fracture toughness testing methods for pyrolytic carbon/graphite composites used in heart-valve prostheses SO JOURNAL OF BIOMEDICAL MATERIALS RESEARCH PART A LA English DT Article DE pyrolytic carbon; fracture; fatigue; micronotch; toughness ID CARBON-COATED GRAPHITE; CYCLIC FATIGUE; STRESS-CORROSION; BEHAVIOR; DEVICES AB The fracture toughness is a critical material property for the pyrolytic carbon materials used in mechanical heart-valve prostheses; however, making accurate toughness measurements has traditionally been problematic due to difficulties in fatigue precracking specimens. In this work, a simple, effective, and reliable precracking method is presented where a sharp precrack is "popped in" from a razor micronotch, which allows significant savings of time and materials relative to fatigue precracking methods. It is further shown that equivalent results may be obtained using razor micronotched specimens directly without precracking, provided the notch is sufficiently sharp. Indeed, mean toughness values of 1.46 +/- 0.13 and 1.35 +/- 0.09 MPa root m were obtained for the pyrolytic carbon-coated graphite materials, using precracked and razor micronotched specimens, respectively. The difference between these mean values proved to be statistically insignificant, and these values are in general agreement with published fracture toughness results obtained using fatigue precracked specimens. (c) 2005 Wiley Periodicals, Inc. C1 Oregon State Univ, Dept Engn Mech, Corvallis, OR 97331 USA. Med CV Inc, Inver Grove Hts, MN 55077 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Sci Mat, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Kruzic, JJ (reprint author), Oregon State Univ, Dept Engn Mech, Corvallis, OR 97331 USA. EM jamie.kruzic@oregonstate.edu RI Ritchie, Robert/A-8066-2008; Kruzic, Jamie/M-3558-2014 OI Ritchie, Robert/0000-0002-0501-6998; Kruzic, Jamie/0000-0002-9695-1921 NR 17 TC 13 Z9 15 U1 0 U2 5 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 1549-3296 J9 J BIOMED MATER RES A JI J. Biomed. Mater. Res. Part A PD SEP 1 PY 2005 VL 74A IS 3 BP 461 EP 464 DI 10.1002/jbm.a.30380 PG 4 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 954UG UT WOS:000231179900020 PM 15973730 ER PT J AU Cui, XL Liu, GD Lin, YH AF Cui, Xiaoli Liu, Guodong Lin, Yuehe TI Biosensors Based on Carbon Nanotubes/Nickel Hexacyanoferrate/Glucose Oxidase Nanocomposites SO JOURNAL OF BIOMEDICAL NANOTECHNOLOGY LA English DT Article DE Nickel Hexacyanoferrate; Biosensor; Glucose; Glucose Oxidase; Electrodeposition; Carbon Nanotubes AB Novel hybrid films based on carbon nanotubes (CNTs)/nickel hexacyanoferrate (NiHCF) nanocomposites were synthesized, characterized, and evaluated for chemical and bio-sensing properties. Nickel hexacyanoferrate particles were electrodeposited on the porous CNT thin-film to fabricate electrochemical sensors with improved sensitivity to H(2)O(2). Transmission electron microscopy illustrated the deposition of nickel hexacyanoferrate nanoparticles on the surface of carbon nanotubes. The experimental results show the electrode modified with the hybrid nanocomposite film has higher electrocatalytic activity and stability for detection of H(2)O(2) than the electrodes modified with carbon nanotube or nickel hexacyanoferrate alone. With glucose oxidase (GOx) as an enzyme model, we constructed a biosensor based on the CNTs/NiHCF/GOx nanocomposite. An excellent linear relationship up to 1.2 mM has been obtained with a slope of 5.3 mu A/mM for the glucose biosensor. The response time and detection limit (S/N = 3) of the biosensor was determined to be 10 s and 1 mu M, respectively. The high sensitivity to glucose of the biosensor resulted from the high surface area of carbon nanotubes and excellent electrocatalytic activity of the modifiers. The biosensor also performed with excellent reproducibility and good stability. C1 [Cui, Xiaoli; Liu, Guodong; Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 FU Pacific Northwest National Laboratory (PNNL); U.S. Department of Energy's (DOE's) Office of Biological and Environmental Research; [DE-AC05-76RL01830.] FX This work is supported by a laboratory directed research and development program at Pacific Northwest National Laboratory (PNNL). The research described in this paper was performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the U.S. Department of Energy's (DOE's) Office of Biological and Environmental Research and located at PNNL. PNNL is operated by Battelle for DOE under Contract DE-AC05-76RL01830. Xiaoli Cui acknowledges a postdoctoral position to work at EMSL. The authors would like to thank Dr. Chongmin Wang for the test of transmission electron microscopy and Mr. Robert E. Allen for editing the manuscript. We also appreciate the referee's valuable comments, which have greatly improved the quality of the manuscript. NR 47 TC 24 Z9 24 U1 1 U2 13 PU AMER SCIENTIFIC PUBLISHERS PI STEVENSON RANCH PA 25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA SN 1550-7033 J9 J BIOMED NANOTECHNOL JI J. Biomed. Nanotechnol. PD SEP PY 2005 VL 1 IS 3 BP 320 EP 327 DI 10.1166/jbn.2005.038 PG 8 WC Nanoscience & Nanotechnology; Medicine, Research & Experimental SC Science & Technology - Other Topics; Research & Experimental Medicine GA V85AS UT WOS:000205747800009 ER PT J AU Balooch, G Yao, W Nalla, RK Kinney, JH Balooch, M Lane, NE AF Balooch, G Yao, W Nalla, RK Kinney, JH Balooch, M Lane, NE TI Both risedronate and PTH maintain bone mechanical properties and matrix composition in a mouse model of glucocorticoid-induced osteoporosis. SO JOURNAL OF BONE AND MINERAL RESEARCH LA English DT Meeting Abstract CT 27th Annual Meeting of the American-Society-for-Bone-and-Mineral-Research CY SEP 23-27, 2005 CL Nashville, TN SP Amer Soc Bone & Mineral Res C1 Univ Calif San Francisco, San Francisco, CA 94143 USA. Univ Calif Davis, Davis, CA 95616 USA. Lawrence Berkeley Natl Lab, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC BONE & MINERAL RES PI WASHINGTON PA 2025 M ST, N W, STE 800, WASHINGTON, DC 20036-3309 USA SN 0884-0431 J9 J BONE MINER RES JI J. Bone Miner. Res. PD SEP PY 2005 VL 20 IS 9 SU 1 BP S204 EP S205 PG 2 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 987FM UT WOS:000233503802239 ER PT J AU Balooch, G Marshall, GW Balooch, M Marshall, SJ Ritchie, RO Nalla, RK Derynck, R Alliston, T AF Balooch, G Marshall, GW Balooch, M Marshall, SJ Ritchie, RO Nalla, RK Derynck, R Alliston, T TI TGF-beta signaling regulates the mechanical properties and composition of bone matrix. SO JOURNAL OF BONE AND MINERAL RESEARCH LA English DT Meeting Abstract CT 27th Annual Meeting of the American-Society-for-Bone-and-Mineral-Research CY SEP 23-27, 2005 CL Nashville, TN SP Amer Soc Bone & Mineral Res C1 Univ Calif San Francisco, San Francisco, CA 94143 USA. Lawrence Berkeley Lab, Berkeley, CA USA. RI Ritchie, Robert/A-8066-2008 OI Ritchie, Robert/0000-0002-0501-6998 NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC BONE & MINERAL RES PI WASHINGTON PA 2025 M ST, N W, STE 800, WASHINGTON, DC 20036-3309 USA SN 0884-0431 J9 J BONE MINER RES JI J. Bone Miner. Res. PD SEP PY 2005 VL 20 IS 9 SU 1 BP S132 EP S132 PG 1 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 987FM UT WOS:000233503801238 ER PT J AU Borke, JL Chen, JR Chew, CS Yu, JC Wu, TT Do, NN Hou, XW AF Borke, JL Chen, JR Chew, CS Yu, JC Wu, TT Do, NN Hou, XW TI Ca2+/calmodulin-dependent protein kinase II (CaM kinase II) phosphorylation of Ets2 in a mechanotransduction pathway of cranial morphogenesis. SO JOURNAL OF BONE AND MINERAL RESEARCH LA English DT Meeting Abstract CT 27th Annual Meeting of the American-Society-for-Bone-and-Mineral-Research CY SEP 23-27, 2005 CL Nashville, TN SP Amer Soc Bone & Mineral Res C1 Med Coll Georgia, Augusta, GA 30912 USA. I Shou Univ, Kaohsiung, Taiwan. Savannah River Natl Lab, Aiken, SC USA. Hebei Med Univ, Hosp 3, Shijiazhuang, Peoples R China. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC BONE & MINERAL RES PI WASHINGTON PA 2025 M ST, N W, STE 800, WASHINGTON, DC 20036-3309 USA SN 0884-0431 J9 J BONE MINER RES JI J. Bone Miner. Res. PD SEP PY 2005 VL 20 IS 9 SU 1 BP S115 EP S115 PG 1 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 987FM UT WOS:000233503801169 ER PT J AU Fitzgerald, RL Hillegonds, DJ Burton, DW Griffin, TL Mullaney, S Vogel, JS Deftos, LJ Herold, DA AF Fitzgerald, RL Hillegonds, DJ Burton, DW Griffin, TL Mullaney, S Vogel, JS Deftos, LJ Herold, DA TI 41Ca and accelerator mass spectrometry to monitor calcium metabolism in end stage renal disease patients. SO JOURNAL OF BONE AND MINERAL RESEARCH LA English DT Meeting Abstract CT 27th Annual Meeting of the American-Society-for-Bone-and-Mineral-Research CY SEP 23-27, 2005 CL Nashville, TN SP Amer Soc Bone & Mineral Res C1 Univ Calif San Diego, VAMC, San Diego, CA 92103 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC BONE & MINERAL RES PI WASHINGTON PA 2025 M ST, N W, STE 800, WASHINGTON, DC 20036-3309 USA SN 0884-0431 J9 J BONE MINER RES JI J. Bone Miner. Res. PD SEP PY 2005 VL 20 IS 9 SU 1 BP S228 EP S228 PG 1 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 987FM UT WOS:000233503803032 ER PT J AU Fotos, JS Galileo, DS Karin, NJ AF Fotos, JS Galileo, DS Karin, NJ TI Lysophosphatidic acid stimulates the motility of MC3T3-E1 osteoblastic cells. SO JOURNAL OF BONE AND MINERAL RESEARCH LA English DT Meeting Abstract CT 27th Annual Meeting of the American-Society-for-Bone-and-Mineral-Research CY SEP 23-27, 2005 CL Nashville, TN SP Amer Soc Bone & Mineral Res C1 Univ Delaware, Newark, DE USA. Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER SOC BONE & MINERAL RES PI WASHINGTON PA 2025 M ST, N W, STE 800, WASHINGTON, DC 20036-3309 USA SN 0884-0431 J9 J BONE MINER RES JI J. Bone Miner. Res. PD SEP PY 2005 VL 20 IS 9 SU 1 BP S125 EP S125 PG 1 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 987FM UT WOS:000233503801212 ER PT J AU Fuchs, RK Allen, MR Ruppel, ME Miller, LM Burr, DB AF Fuchs, RK Allen, MR Ruppel, ME Miller, LM Burr, DB TI How long does secondary mineralization of osteonal bone take? SO JOURNAL OF BONE AND MINERAL RESEARCH LA English DT Meeting Abstract CT 27th Annual Meeting of the American-Society-for-Bone-and-Mineral-Research CY SEP 23-27, 2005 CL Nashville, TN SP Amer Soc Bone & Mineral Res C1 Indiana Univ, Sch Med, Indianapolis, IN 46204 USA. Brookhaven Natl Lab, Upton, NY USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC BONE & MINERAL RES PI WASHINGTON PA 2025 M ST, N W, STE 800, WASHINGTON, DC 20036-3309 USA SN 0884-0431 J9 J BONE MINER RES JI J. Bone Miner. Res. PD SEP PY 2005 VL 20 IS 9 SU 1 BP S325 EP S325 PG 1 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 987FM UT WOS:000233503804112 ER PT J AU Hillegonds, DJ Burton, DW Fitzgerald, RL Denk, E Walczyk, TR Deftos, LJ Vogel, JS AF Hillegonds, DJ Burton, DW Fitzgerald, RL Denk, E Walczyk, TR Deftos, LJ Vogel, JS TI Ca-41 non-invasively identifies at high sensitivity skeletal perturbations from bisphosphonate therapy and metastatic bone disease. SO JOURNAL OF BONE AND MINERAL RESEARCH LA English DT Meeting Abstract CT 27th Annual Meeting of the American-Society-for-Bone-and-Mineral-Research CY SEP 23-27, 2005 CL Nashville, TN SP Amer Soc Bone & Mineral Res C1 Lawrence Livermore Natl Lab, Livermore, CA USA. Univ Calif San Diego, San Diego, CA 92103 USA. San Diego Vet Adm Healthcare Syst, San Diego, CA 92103 USA. ETH, Swiss Fed Res Inst, Zurich, Switzerland. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC BONE & MINERAL RES PI WASHINGTON PA 2025 M ST, N W, STE 800, WASHINGTON, DC 20036-3309 USA SN 0884-0431 J9 J BONE MINER RES JI J. Bone Miner. Res. PD SEP PY 2005 VL 20 IS 9 SU 1 BP S327 EP S327 PG 1 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 987FM UT WOS:000233503804120 ER PT J AU Judex, S Little, W Rubin, C Donahue, L Miller, L AF Judex, S Little, W Rubin, C Donahue, L Miller, L TI Accretion of bone quantity and quality in the developing murine skeleton. SO JOURNAL OF BONE AND MINERAL RESEARCH LA English DT Meeting Abstract CT 27th Annual Meeting of the American-Society-for-Bone-and-Mineral-Research CY SEP 23-27, 2005 CL Nashville, TN SP Amer Soc Bone & Mineral Res C1 SBU, Stony Brook, NY USA. Jackson Lab, Bar Harbor, ME 04609 USA. BNL, Upton, NY USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC BONE & MINERAL RES PI WASHINGTON PA 2025 M ST, N W, STE 800, WASHINGTON, DC 20036-3309 USA SN 0884-0431 J9 J BONE MINER RES JI J. Bone Miner. Res. PD SEP PY 2005 VL 20 IS 9 SU 1 BP S318 EP S318 PG 1 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 987FM UT WOS:000233503804083 ER PT J AU Lin, X Zamora, PO Pena, LA Campion, SL Takahashi, K AF Lin, X Zamora, PO Pena, LA Campion, SL Takahashi, K TI Augmentation of demineralized bone matrix by a synthetic FGF-2 mimetic. SO JOURNAL OF BONE AND MINERAL RESEARCH LA English DT Meeting Abstract CT 27th Annual Meeting of the American-Society-for-Bone-and-Mineral-Research CY SEP 23-27, 2005 CL Nashville, TN SP Amer Soc Bone & Mineral Res C1 Brookhaven Natl Lab, Upton, NY 11973 USA. Biosurface Engn Technol Inc, College Pk, MD USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER SOC BONE & MINERAL RES PI WASHINGTON PA 2025 M ST, N W, STE 800, WASHINGTON, DC 20036-3309 USA SN 0884-0431 J9 J BONE MINER RES JI J. Bone Miner. Res. PD SEP PY 2005 VL 20 IS 9 SU 1 BP S344 EP S345 PG 2 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 987FM UT WOS:000233503804193 ER PT J AU Xie, L Busa, B Donahue, L Rubin, C Miller, L Judex, S AF Xie, L Busa, B Donahue, L Rubin, C Miller, L Judex, S TI Low-level mechanical vibrations enhance bone formation without loss of bone quality in the growing skeleton. SO JOURNAL OF BONE AND MINERAL RESEARCH LA English DT Meeting Abstract CT 27th Annual Meeting of the American-Society-for-Bone-and-Mineral-Research CY SEP 23-27, 2005 CL Nashville, TN SP Amer Soc Bone & Mineral Res C1 SUNY Stony Brook, Stony Brook, NY 11794 USA. Jackson Lab, Bar Harbor, ME 04609 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC BONE & MINERAL RES PI WASHINGTON PA 2025 M ST, N W, STE 800, WASHINGTON, DC 20036-3309 USA SN 0884-0431 J9 J BONE MINER RES JI J. Bone Miner. Res. PD SEP PY 2005 VL 20 IS 9 SU 1 BP S349 EP S350 PG 2 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 987FM UT WOS:000233503804215 ER PT J AU Yao, W Balooch, G Nalla, R Zhou, J Jiang, Y Wronski, T Lane, N AF Yao, W Balooch, G Nalla, R Zhou, J Jiang, Y Wronski, T Lane, N TI Restoration of cancellous bone connectivity and strength in ovariectomized mice treated with basic fibroblast growth factor and followed by an anti-resorptive agent. SO JOURNAL OF BONE AND MINERAL RESEARCH LA English DT Meeting Abstract CT 27th Annual Meeting of the American-Society-for-Bone-and-Mineral-Research CY SEP 23-27, 2005 CL Nashville, TN SP Amer Soc Bone & Mineral Res C1 UCDMC, Sacramento, CA USA. Univ Calif San Francisco, San Francisco, CA 94143 USA. Lawrence Berkeley Lab, Berkeley, CA USA. Univ Florida, Gainesville, FL USA. NR 0 TC 1 Z9 1 U1 0 U2 0 PU AMER SOC BONE & MINERAL RES PI WASHINGTON PA 2025 M ST, N W, STE 800, WASHINGTON, DC 20036-3309 USA SN 0884-0431 J9 J BONE MINER RES JI J. Bone Miner. Res. PD SEP PY 2005 VL 20 IS 9 SU 1 BP S345 EP S345 PG 1 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 987FM UT WOS:000233503804195 ER PT J AU Yao, W Balooch, G Nalla, R Guive, M Kinney, J Bonewald, L Lane, N AF Yao, W Balooch, G Nalla, R Guive, M Kinney, J Bonewald, L Lane, N TI CD40 ligand prevents gluococorticoid-induced bone loss by increasing bone formation, decreasing bone resorption and inhibiting osteocyte apoptosis. SO JOURNAL OF BONE AND MINERAL RESEARCH LA English DT Meeting Abstract CT 27th Annual Meeting of the American-Society-for-Bone-and-Mineral-Research CY SEP 23-27, 2005 CL Nashville, TN SP Amer Soc Bone & Mineral Res C1 UCDMC, Sacramento, CA USA. Univ Calif San Francisco, San Francisco, CA 94143 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Missouri, Sch Dent, Kansas City, MO USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC BONE & MINERAL RES PI WASHINGTON PA 2025 M ST, N W, STE 800, WASHINGTON, DC 20036-3309 USA SN 0884-0431 J9 J BONE MINER RES JI J. Bone Miner. Res. PD SEP PY 2005 VL 20 IS 9 SU 1 BP S92 EP S92 PG 1 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 987FM UT WOS:000233503801079 ER PT J AU Phongikaroon, S Hoffmaster, R Judd, KP Smith, GB Handler, RA AF Phongikaroon, S Hoffmaster, R Judd, KP Smith, GB Handler, RA TI Effect of temperature on the surface tension of soluble and insoluble Surfactants of hydrodynamical importance SO JOURNAL OF CHEMICAL AND ENGINEERING DATA LA English DT Article ID SODIUM DODECYL-SULFATE; SEA GAS-EXCHANGE; MONOMOLECULAR FILMS; THERMAL STRUCTURE; WATER; AIR; EVAPORATION; MONOLAYERS; CONVECTION; INTERFACE AB The effect of temperature on the surface tension of soluble and insoluble surfactants was investigated at an air-water interface. Equilibrium surface tension measurements were performed using the Wilhelmy plate technique in which both temperature and concentration were varied systematically. Insoluble surfactants (oleyl alcohol and hemicyanine) and soluble surfactants (Triton X-100 and sodium dodecyl sulfate (SDS)) were used since they are commonly used in hydrodynamic experiments in which the effects of surfactants on free surface dynamics are studied. The principal result of this investigation is that the surface tension of the above-mentioned surfactants decreases linearly with temperature, independent of concentration, with the exception of oleyl alcohol whose surface tension becomes relatively independent of temperature above 23 degrees C. The adequacy of standard models for surfactant behavior in describing these data is considered. C1 USN, Res Lab, Washington, DC 20375 USA. RP Phongikaroon, S (reprint author), Idaho Natl Lab, POB 1625,MS 6118, Idaho Falls, ID 83403 USA. EM supathorn.phongikaroon@inl.gov RI Smith, Geoff/A-6639-2012 OI Smith, Geoff/0000-0002-6985-2880 NR 45 TC 10 Z9 10 U1 1 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-9568 J9 J CHEM ENG DATA JI J. Chem. Eng. Data PD SEP-OCT PY 2005 VL 50 IS 5 BP 1602 EP 1607 DI 10.1021/je050074w PG 6 WC Thermodynamics; Chemistry, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Chemistry; Engineering GA 964FH UT WOS:000231863700021 ER PT J AU Biener, J Farfan-Arribas, E Biener, M Friend, CM Madix, RJ AF Biener, J Farfan-Arribas, E Biener, M Friend, CM Madix, RJ TI Synthesis of TiO2 nanoparticles on the Au(111) surface SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID SCANNING-TUNNELING-MICROSCOPY; VANADIUM-OXIDE CATALYSTS; OXYGEN-ADSORPTION; PARTIAL OXIDATION; GROWTH; GOLD; METHANOL; CLUSTERS; MOO3; TIO2(110) AB The growth of titanium oxide nanoparticles on reconstructed Au(111) was investigated by scanning tunneling microscopy and x-ray photoelectron spectroscopy. Ti was deposited by physical-vapor deposition at 300 K. Regular arrays of titanium nanoparticles form by preferential nucleation of Ti at the elbow sites of the herringbone reconstruction. The titanium oxide nanoclusters were synthesized by subsequent exposure to O-2 at 300 K. Two-and three-dimensional titanium oxide nanocrystallites form during annealing in the temperature range from 600 to 900 K. At the same time, the Au(111) surface assumes a serrated < 110 >-oriented step-edge morphology suggesting step-edge pinning by titanium oxide nanoparticles. The oxidation state of the titanium oxide nanoparticles varies with annealing temperature. Specifically, annealing to 900 K results in the formation of stoichiometric TiO2 nanocrystals as judged by the Ti(2p) binding energies measured in the x-ray photoelectron data. The nanodispersed TiO2 on Au(111) is an ideal system to test the various models proposed for the enhanced catalytic reactivity of supported Au nanoparticles. (C) 2005 American Institute of Physics. C1 Harvard Univ, Dept Chem, Cambridge, MA 02138 USA. Harvard Univ, Div Engn & Appl Sci, Cambridge, MA 02138 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Stanford Univ, Dept Chem Engn, Stanford, CA 94305 USA. RP Friend, CM (reprint author), Harvard Univ, Dept Chem, 12 Oxford St, Cambridge, MA 02138 USA. EM cfriend@deas.harvard.edu NR 28 TC 38 Z9 38 U1 0 U2 22 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD SEP 1 PY 2005 VL 123 IS 9 AR 094705 DI 10.1063/1.1999607 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 962MU UT WOS:000231737700028 PM 16164360 ER PT J AU Gruszkiewicz, MS Simonson, JM AF Gruszkiewicz, MS Simonson, JM TI Vapor pressures and isopiestic molalities of concentrated CaCl2(aq), CaBr2(aq), and NaCl(aq) to T=523 K SO JOURNAL OF CHEMICAL THERMODYNAMICS LA English DT Article DE isopiestic; calcium chloride; calcium bromide; sodium chloride; vapor pressure; activity coefficient ID SODIUM-CHLORIDE SOLUTIONS; AQUEOUS CALCIUM-CHLORIDE; RECIPROCAL SALT SYSTEMS; THERMODYNAMIC PROPERTIES; OSMOTIC COEFFICIENTS; ELEVATED-TEMPERATURES; ELECTROLYTE SOLUTIONS; PHASE-EQUILIBRIA; METAL CHLORIDES; 100.3-DEGREES-C AB The Oak Ridge National Laboratory high-temperature isopiestic apparatus was outfitted with precise pressure gauges to allow for direct vapor pressure measurements. Vapor pressures over concentrated solutions of CaCl2(aq), and CaBr2(aq) were measured at temperatures between (380.15 and 523.15) K in the range of water activities between 0.2 and 0.85. Isopiestic molalities were used to determine osmotic coefficients at the conditions where NaCl reference standard solutions remained undersaturated. The main goal of this work was to improve the accuracy of isopiestic comparisons based on the calcium chloride reference standard. Osmotic coefficients for CaCl2(aq) and CaBr2(aq) calculated from both isopiestic and direct vapor pressure results were combined with the literature data and used to build general thermodynamic models based on a variant of extended Pitzer ion-interaction equations and valid at the saturation pressure of water. While these empirical models approach the accuracy of the experimental data in a wider range of concentrations and temperatures than any previously published equations, considerable amounts of accurate data and a substantial effort are required in order to obtain a satisfactory representation using power series-based virial equations. The effect of experimental uncertainties on the accuracy of the direct vapor pressure results is discussed, including in particular the error caused by the presence in the apparatus of a small amount of CO2. The substantial decrease of the solubility product of CaCO3 in concentrated chloride solutions at temperatures above 423 K is a serious defect of calcium chloride as a water activity reference standard. Published by Elsevier Ltd. C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Gruszkiewicz, MS (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008,Bldg 4500S MS-6110, Oak Ridge, TN 37831 USA. EM gruszkiewicz@ornl.gov RI Gruszkiewicz, Miroslaw/L-2389-2016 OI Gruszkiewicz, Miroslaw/0000-0002-6551-6724 NR 81 TC 30 Z9 30 U1 0 U2 12 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0021-9614 J9 J CHEM THERMODYN JI J. Chem. Thermodyn. PD SEP PY 2005 VL 37 IS 9 BP 906 EP 930 DI 10.1016/j.jct.2004.12.009 PG 25 WC Thermodynamics; Chemistry, Physical SC Thermodynamics; Chemistry GA 953TM UT WOS:000231103400004 ER PT J AU Notaro, M Liu, ZY Gallimore, R Vavrus, SJ Kutzbach, JE Prentice, IC Jacob, RL AF Notaro, M Liu, ZY Gallimore, R Vavrus, SJ Kutzbach, JE Prentice, IC Jacob, RL TI Simulated and observed preindustrial to modern vegetation and climate changes SO JOURNAL OF CLIMATE LA English DT Article ID DOUBLED ATMOSPHERIC CO2; NORTHERN HIGH-LATITUDES; GLOBAL LAND-COVER; NOAA AVHRR DATA; SURFACE-TEMPERATURE; CARBON-DIOXIDE; 20TH-CENTURY TEMPERATURE; TERRESTRIAL BIOSPHERE; GAUGE OBSERVATIONS; BOREAL FOREST AB Rising levels of carbon dioxide, since the preindustrial era have likely contributed to an observed warming of the global surface, and observations show global greening and an expansion of boreal forests. This study reproduces observed climate and vegetation trends associated with rising CO. using a fully coupled atmosphere-ocean-land surface GCM with dynamic vegetation and decomposes the effects into physiological and radiative components. The simulated warming trend, strongest at high latitudes, was dominated by the radiative effect, although the physiological effect of CO2 on vegetation (CO2 fertilization) contributed to significant wintertime warming over northern Europe and central and eastern Asia. The net global greening of the model was primarily due to the physiological effect of increasing CO2, while the radiative and physiological effects combined to produce a poleward expansion of the boreal forests. Observed and simulated trends in tree ring width are consistent with the enhancement of vegetation growth by the physiological effect of rising CO2. C1 Univ Wisconsin, Clin Res Ctr, Madison, WI 53706 USA. Univ Bristol, Dept Earth Sci, Bristol, Avon, England. Argonne Natl Lab, Chicago, IL USA. RP Univ Wisconsin, Clin Res Ctr, 1225 W Dayton St, Madison, WI 53706 USA. EM mnotaro@wisc.edu RI Jacob, Robert/D-2580-2011 OI Jacob, Robert/0000-0002-9444-6593 NR 82 TC 31 Z9 32 U1 0 U2 7 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 EI 1520-0442 J9 J CLIMATE JI J. Clim. PD SEP 1 PY 2005 VL 18 IS 17 BP 3650 EP 3671 DI 10.1175/JCLI3501.1 PG 22 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 972RJ UT WOS:000232470600015 ER PT J AU Muller, A Talismanov, S Kogerler, P Bogge, H Schmidtmann, M Tsukerblat, B AF Muller, A Talismanov, S Kogerler, P Bogge, H Schmidtmann, M Tsukerblat, B TI Expanding the hierarchy of metal-oxide building blocks from fragments via clusters to networks: A(infinity)(2)[({Mo-17(NO)(2)}(3){Mo-2(V)}(3){Fe-III}(6))(Fe-1.5(II))]-t ype layer compound SO JOURNAL OF CLUSTER SCIENCE LA English DT Article DE molybdenum; iron; polyoxometalates; magnetochemistry; mixed-valence; building block; extended structure ID GIANT CLUSTER; CENTERS; CHEMISTRY AB A planar network consisting of {Mo-17(NO)(2)}(3){Mo-2(V)}(3){Fe-6(III)} cluster entities that are interlinked to layers via {Fe-II(H2O)(4)}(2+) groups is formed stepwise from building Units. The corresponding mixed-valence compound exhibits a variety of different formal oxidation states: {MoNO}(3+) Mo-V, Mo-VI, Fe-II, and Fe-III. This compound also represents an extension of building-block hierarchy from the molecular level to extended networks. C1 Univ Bielefeld, Fac Chem, D-33501 Bielefeld, Germany. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Ben Gurion Univ Negev, Fac Nat Sci, Dept Chem, IL-84105 Beer Sheva, Israel. RP Muller, A (reprint author), Univ Bielefeld, Fac Chem, D-33501 Bielefeld, Germany. EM a.mueller@uni-bielefeld.de RI Kogerler, Paul/H-5866-2013; OI Kogerler, Paul/0000-0001-7831-3953; Muller, Achim/0000-0003-0117-4021 NR 14 TC 2 Z9 2 U1 0 U2 0 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1040-7278 J9 J CLUST SCI JI J. Clust. Sci. PD SEP PY 2005 VL 16 IS 3 BP 391 EP 396 DI 10.1007/s10876-005-0008-y PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 995DZ UT WOS:000234082300009 ER PT J AU Perisic, I Posse, C AF Perisic, I Posse, C TI Projection pursuit indices based on the empirical distribution function SO JOURNAL OF COMPUTATIONAL AND GRAPHICAL STATISTICS LA English DT Article DE bivariate Cramer von Mises; bivariate Kolmogorov-Smirnov; dimension reduction; pattern recognition; red-and-black trees; symmetry; tuning-free indices. tuning-free projection pursuit ID EXPLORATORY DATA-ANALYSIS AB Exploratory projection pursuit is a technique for finding interesting low-dimensional projections of multivariate data. To reach this goal, one optimizes an index, assigned to every projection, that characterizes the structure present in the projection. Most indices require the estimation of the marginal density of the projected data. Such estimations involve a tuning parameter that greatly influences the behavior of the index. However, the optimization is usually performed with an ad hoc, often fixed value for this parameter. This article proposes indices based on the empirical distribution function that do not require to be tuned. This allows users to use exploratory projection pursuit without having to predetermine an "esoteric" tuning parameter. C1 Entopia Inc, Redwood Shores, CA 94065 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Perisic, I (reprint author), Entopia Inc, 3200 Bridge Pkwy, Redwood Shores, CA 94065 USA. EM iperisic@entopia.com; christian.posse@pnl.gov NR 26 TC 3 Z9 3 U1 1 U2 2 PU AMER STATISTICAL ASSOC PI ALEXANDRIA PA 1429 DUKE ST, ALEXANDRIA, VA 22314 USA SN 1061-8600 J9 J COMPUT GRAPH STAT JI J. Comput. Graph. Stat. PD SEP PY 2005 VL 14 IS 3 BP 700 EP 715 DI 10.1198/106186005X69440 PG 16 WC Statistics & Probability SC Mathematics GA 008LK UT WOS:000235042000011 ER PT J AU Faulon, JL Brown, WM Martin, S AF Faulon, JL Brown, WM Martin, S TI Reverse engineering chemical structures from molecular descriptors: how many solutions? SO JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN LA English DT Article DE enumeration; molecular fragments; molecular design; structure-properties relationships; topological indices ID ACTIVITY RELATIONSHIP MODELS; EXTENDED VALENCE SEQUENCES; STRUCTURE ELUCIDATION; STOCHASTIC GENERATOR; INFORMATION-TRANSFER; GENETIC ALGORITHM; DESIGN; GRAPHS; PREDICTIONS; COUNTS AB Physical, chemical and biological properties are the ultimate information of interest for chemical compounds. Molecular descriptors that map structural information to activities and properties are obvious candidates for information sharing. In this paper, we consider the feasibility of using molecular descriptors to safely exchange chemical information in such a way that the original chemical structures cannot be reverse engineered. To investigate the safety of sharing such descriptors, we compute the degeneracy (the number of structure matching a descriptor value) of several 2D descriptors, and use various methods to search for and reverse engineer structures. We examine degeneracy in the entire chemical space taking descriptors values from the alkane isomer series and the PubChem database. We further use a stochastic search to retrieve structures matching specific topological index values. Finally, we investigate the safety of exchanging of fragmental descriptors using deterministic enumeration. C1 Sandia Natl Labs, Livermore, CA 94551 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Sandia Natl Labs, 969, Livermore, CA 94551 USA. EM jfaulon@sandia.gov NR 38 TC 10 Z9 10 U1 1 U2 4 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0920-654X EI 1573-4951 J9 J COMPUT AID MOL DES JI J. Comput.-Aided Mol. Des. PD SEP PY 2005 VL 19 IS 9-10 BP 637 EP 650 DI 10.1007/s10822-005-9007-1 PG 14 WC Biochemistry & Molecular Biology; Biophysics; Computer Science, Interdisciplinary Applications SC Biochemistry & Molecular Biology; Biophysics; Computer Science GA 015JF UT WOS:000235547000002 PM 16267694 ER PT J AU Rosenfeld, R Frieman, JA AF Rosenfeld, R Frieman, JA TI A simple model for quintessential inflation SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE dark energy theory; inflation; axions; cosmology of theories beyond the SM ID NAMBU-GOLDSTONE BOSONS; COSMOLOGICAL CONSTANT; DARK ENERGY; NATURAL INFLATION; CHAOTIC INFLATION; UNIVERSE; CONSTRAINTS; SUPERNOVAE; AXION AB We propose a simple toy model for quintessential inflation where a complex scalar field described by a Lagrangian with a U(1)(PQ) symmetry spontaneously broken at a high energy scale and explicitly broken by instanton effects at a much lower energy can account for both the early inflationary phase and the recent accelerated expansion of the Universe. The real part of the complex field plays the role of the in flaton whereas the imaginary part, the 'axion', is the quintessence field. C1 Univ Estadual Paulista, Inst Fis Theor, BR-01405900 Sao Paulo, Brazil. NASA, Fermi Natl Accelerator Lab, Fermilab Astrophys Ctr, Batavia, IL 60510 USA. Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. RP Univ Estadual Paulista, Inst Fis Theor, Rua Pamplona,145, BR-01405900 Sao Paulo, Brazil. EM rosenfel@ift.unesp.br; frieman@fnal.gov RI Rosenfeld, Rogerio/L-5845-2016 NR 42 TC 14 Z9 14 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1475-7516 J9 J COSMOL ASTROPART P JI J. Cosmol. Astropart. Phys. PD SEP PY 2005 IS 9 AR 003 DI 10.1088/1475-7516/2005/09/003 PG 8 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 969AF UT WOS:000232205100013 ER PT J AU Berryman, JG AF Berryman, JG TI Comparison of upscaling methods in poroelasticity and its generalizations SO JOURNAL OF ENGINEERING MECHANICS LA English DT Article DE poroelasticity; porous media; saturation; comparative studies ID FRACTURED POROUS-MEDIA; ELASTIC PROPERTIES; DIFFERENTIAL SCHEME; COMPOSITE-MATERIALS; GASSMANN EQUATIONS; FREQUENCY RANGE; SEISMIC-WAVES; FLUID; PROPAGATION; ROCKS AB Four methods of upscaling coupled equations at the microscale to equations valid at the mesoscale and/or macroscale for fluid-saturated and partially saturated porous media will be discussed, compared, and contrasted. The four methods are: (1) effective medium theory, (2) mixture theory, (3) two-scale and multiscale homogenization, and (4) volume averaging. All these methods have advantages for some applications and disadvantages for others. For example, effective medium theory, mixture theory, and homogenization methods can all give formulas for coefficients in the up-scaled equations, whereas volume averaging methods give the form of the up-scaled equations but generally must be supplemented with physical arguments and/or data in order to determine the coefficients. Homogenization theory requires a great deal of mathematical insight from the user in order to choose appropriate scalings for use in the resulting power-law expansions, while volume averaging requires more physical insight to motivate the steps needed to find coefficients. Homogenization often is performed on periodic models, while volume averaging does not require any assumption of periodicity and can therefore be related very directly to laboratory and/or field measurements. Validity of the homogenization process is often limited to specific ranges of frequency-in order to justify the scaling hypotheses that must be made-and therefore cannot be used easily over wide ranges of frequency. However, volume averaging methods can quite easily be used for wide band data analysis. So, we learn from these comparisons that a researcher in the theory of poroelasticity and its generalizations needs to be conversant with two or more of these methods to solve problems generally. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Lawrence Livermore Natl Lab, POB 808 L-200, Livermore, CA 94551 USA. EM berryman1@llnl.gov RI Berryman, James/A-9712-2008 NR 67 TC 15 Z9 15 U1 0 U2 8 PU ASCE-AMER SOC CIVIL ENGINEERS PI RESTON PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA SN 0733-9399 EI 1943-7889 J9 J ENG MECH JI J. Eng. Mech. PD SEP PY 2005 VL 131 IS 9 BP 928 EP 936 DI 10.1061/(ASCE)0733-9399(2005)131:9(928) PG 9 WC Engineering, Mechanical SC Engineering GA 956QU UT WOS:000231315700008 ER PT J AU Pride, SR Garambois, S AF Pride, SR Garambois, S TI Electroseismic wave theory of Frenkel and more recent developments SO JOURNAL OF ENGINEERING MECHANICS-ASCE LA English DT Article DE poroelasticity; electrokinetics; porous media; acoustics ID POROUS-MEDIA; FREQUENCY RANGE; ELASTIC WAVES; PROPAGATION; EQUATIONS AB Frenkel's 1944 theory of porous media acoustics is carefully scrutinized. After some manipulation, Frenkel's equations are seen to have nearly identical form to Biot's 062 equations. The only difference is that Frenkel includes an extraneous fluid-pressure gradient in his bulk force balance. Frenkel also makes a slight error in the development of his effective poroelastic moduli that prevents him from being the first to obtain the so-called "fluid-substitution" relations. Outside of these two small problems, Frenkel's analysis can be considered correct. He limits his treatment of electroseismic phenomena to explain the electric field that accompanies a compressional seismic wave in a homogeneous material. He predicts that the electric field in a compressional wave is directly proportional to the particle acceleration and this has been verified by the recent field measurements of Garambois and Dietrich. However, such electric fields are only a small part of the total electroseismic response of the earth. Accordingly, some of the additional phenomena not discussed by Frenkel are also presented and discussed. C1 Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. Univ Grenoble 1, LIRIGM, Maison Geosci, F-38041 Grenoble, France. RP Pride, SR (reprint author), Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM srpride@lbl.gov; stephane.garambois@ujf-grenoble.fr NR 22 TC 18 Z9 18 U1 0 U2 6 PU ASCE-AMER SOC CIVIL ENGINEERS PI RESTON PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA SN 0733-9399 J9 J ENG MECH-ASCE JI J. Eng. Mech.-ASCE PD SEP PY 2005 VL 131 IS 9 BP 898 EP 907 DI 10.1061/(ASCE)0733-9399(2005)131:9(898) PG 10 WC Engineering, Mechanical SC Engineering GA 956QU UT WOS:000231315700005 ER PT J AU Zhong, LR Pope, G Evans, JC Cameron, RJ AF Zhong, LR Pope, G Evans, JC Cameron, RJ TI Impact of salinity on the air-water partition coefficient of gas tracers SO JOURNAL OF ENVIRONMENTAL ENGINEERING-ASCE LA English DT Article ID VADOSE ZONE CHARACTERIZATION AB The use of a gas partitioning interwell tracer test (PITT) has been proposed as a standard approach to the measurement of field-scale vadose zone water saturation fractions. The accuracy of the saturation measurement is largely dependent. cm the determination of the air-water partition coefficient, K, of the tracers. In practice, K is strongly influenced by the physical and chemical properties of the site water. In this study, column tests were conducted to investigate the impact of salinity on tracer partition coefficients for two promising gas phase candidate tracers, dibromomethane and dimethylether. Sodium thiosulfate was used as a salinity surrogate. The dynamic K values of the two partitioning tracers were measured for sodium thiosulfate concentrations between 0% and 36% by weight. Methane was used as the nonpartitioning tracer for all experiments. K values were found to decrease significantly with increasing sodium thiosulfate concentration. Similar correlations between K values and sodium thiosuffate concentration were found-for both of the partitioning tracers. C1 Pacific NW Natl Lab, Environm Technol Directorate, Richland, WA 99352 USA. Univ Texas, Ctr Petr & Geosyst Engn, Austin, TX 78712 USA. RP Zhong, LR (reprint author), Pacific NW Natl Lab, Environm Technol Directorate, POB 999,MS K6-96, Richland, WA 99352 USA. EM lirong.zhong@pnl.gov NR 11 TC 0 Z9 0 U1 0 U2 0 PU ASCE-AMER SOC CIVIL ENGINEERS PI RESTON PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA SN 0733-9372 J9 J ENVIRON ENG-ASCE JI J. Environ. Eng.-ASCE PD SEP PY 2005 VL 131 IS 9 BP 1354 EP 1357 DI 10.1061/(ASCE)0733-9372(2005)131:9(1354) PG 4 WC Engineering, Environmental; Engineering, Civil; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 956QO UT WOS:000231315100015 ER PT J AU Zhong, LR Liu, CX Zachara, JM Kennedy, DW Szecsody, JE Wood, B AF Zhong, LR Liu, CX Zachara, JM Kennedy, DW Szecsody, JE Wood, B TI Oxidative remobilization of biogenic uranium(IV) precipitates: Effects of iron(II) and pH SO JOURNAL OF ENVIRONMENTAL QUALITY LA English DT Article ID METAL-REDUCING BACTERIUM; NUCLEAR-FUEL; CARBONATE SOLUTIONS; REDUCTION; DISSOLUTION; ADSORPTION; SEDIMENTS; U(VI); SITE; URANYL AB The oxidative remobilization of uranium from biogenic U(IV) precipitates was investigated in bioreduced sediment suspensions in contact with atmospheric O-2 with an emphasis on the influence of Fe(II) and pH on the rate and extent of U release from the solid to the aqueous phase. The sediment was collected from the U.S. Department of Energy Field Research Center (FRC) site at Oak Ridge, Tennessee. Biogenic U(IV) precipitates and bioreduced sediment were generated through anaerobic incubation with a dissimilatory metal reducing bacterium Shewanella putrefaciens strain CN32. The oxidative remobilization of freshly prepared and 1-yr aged biogenic U(IV) was conducted in 0.1 mol/L NaNO3 electrolyte with variable pH and Fe(II) concentrations. Biogenic U(IV)O-2(s) was released into the aqueous phase with the highest rate and extent at pH 4 and 9, while the U remobilization was the lowest at circumneutral pH. Increasing Fe(II) significantly decreased U remobilization to the aqueous phase. From 70 to 100% of the U in the sediments used in all the tests was extractable at the experiment termination (41 d) with a bicarbonate solution (0.2 mol/L), indicating that biogenic U(IV) was oxidized regardless of Fe(II) concentration and pH. Sorption experiments and modeling calculations indicated that the inhibitive effect of Fe(II) on U(IV) oxidative remobilization was consistent with the Fe(111) oxide precipitation and U(VI) sorption to this secondary phase. C1 Pacific NW Natl Lab, Richland, WA 99354 USA. Oregon State Univ, Corvallis, OR 97330 USA. RP Zhong, LR (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM lirong.zhong@pnl.gov RI Liu, Chongxuan/C-5580-2009; Wood, Brian/K-4025-2012; Wood, Brian/J-8362-2013; OI Wood, Brian/0000-0003-3152-7852; Wood, Brian/0000-0003-3152-7852; Kennedy, David/0000-0003-0763-501X NR 49 TC 29 Z9 29 U1 1 U2 8 PU AMER SOC AGRONOMY PI MADISON PA 677 S SEGOE RD, MADISON, WI 53711 USA SN 0047-2425 J9 J ENVIRON QUAL JI J. Environ. Qual. PD SEP-OCT PY 2005 VL 34 IS 5 BP 1763 EP 1771 DI 10.2134/jeq2005.0057 PG 9 WC Environmental Sciences SC Environmental Sciences & Ecology GA 968PK UT WOS:000232174300031 PM 16151228 ER PT J AU Stewart, CN Millwood, RJ Halfhill, MD Ayalew, M Cardoza, V Kooshki, M Capelle, GA Kyle, KR Piaseki, D McCrum, G Di Benedetto, J AF Stewart, CN Millwood, RJ Halfhill, MD Ayalew, M Cardoza, V Kooshki, M Capelle, GA Kyle, KR Piaseki, D McCrum, G Di Benedetto, J TI Laser-induced fluorescence imaging and spectroscopy of GFP transgenic plants SO JOURNAL OF FLUORESCENCE LA English DT Article DE transgenic; fluorescence; plants; remote sensing; green fluorescent protein ID LIVING PLANTS; PROTEIN; STRESS; EXPRESSION; METHODOLOGY; INDICATOR; MARKER; LEAVES; TOOL AB Green fluorescent protein (GFP) and other fluorescent protein bioreporters can be used to monitor transgenes in plants. GFP is a valuable marker for transgene presence and expression, but remote sensing instrumentation for stand-off detection has lagged behind fluorescent protein marker biotechnology. However, both biology and photonics are needed for the monitoring technology to be fully realized. In this paper, we describe laser-induced fluorescence imaging and laser-induced fluorescence spectroscopy of GFP-transgenic plants in ambient light towards the application of remote sensing of transgenic plants producing GFP. C1 Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA. Univ Vermont, Dept Bot, Burlington, VT USA. Wake Forest Univ, Sch Med, Dept Radiat Oncol, Winston Salem, NC 27109 USA. DOE Special Techol Lab, Santa Barbara, CA USA. RP Stewart, CN (reprint author), Univ Tennessee, Dept Plant Sci, 2431 Joe Johnson Dr, Knoxville, TN 37996 USA. EM nealstewart@utk.edu RI Stewart, Neal/B-4709-2009 OI Stewart, Neal/0000-0003-3026-9193 NR 31 TC 8 Z9 9 U1 2 U2 6 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1053-0509 J9 J FLUORESC JI J. Fluoresc. PD SEP PY 2005 VL 15 IS 5 BP 697 EP 705 DI 10.1007/s10895-005-2977-5 PG 9 WC Biochemical Research Methods; Chemistry, Analytical; Chemistry, Physical SC Biochemistry & Molecular Biology; Chemistry GA 992FA UT WOS:000233868600008 PM 16341787 ER PT J AU Bajic, SJ Aeschliman, DB Saetveit, NJ Baldwin, DP Houk, RS AF Bajic, SJ Aeschliman, DB Saetveit, NJ Baldwin, DP Houk, RS TI Analysis of glass fragments by laser ablation-inductively coupled plasma-mass spectrometry and principal component analysis SO JOURNAL OF FORENSIC SCIENCES LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the American-Academy-of-Forensic-Sciences CY FEB 16-21, 2004 CL Dallas, TX SP Amer Acad Forens Sci DE forensic science; glass comparisons; elemental analysis; laser ablation-inductively coupled plasma-mass spectrometry; principal component analysis ID ELEMENTAL ANALYSIS; ICP-MS; VARIANCE AB Laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) is used to differentiate glass samples with similar optical and physical properties based on trace elemental composition. Laser ablation increases the number of elements that can be used for differentiation by eliminating problems commonly associated with dissolution and contamination. In this study, standard residential window and tempered glass samples that could not be differentiated by refractive index or density were successfully differentiated by LA-ICP-MS. The primary analysis approach used is Principal Component Analysis (PCA) of the complete mass spectrum. PCA, a multivariate analysis technique, provides rapid analysis of samples without time-consuming pair-wise comparison of calibrated analyses or prior knowledge of the elements present in the samples. Probabilities for positive association of the individual samples are derived from PCA. Utilization of the Q-statistic with PCA allowed us to distinguish all samples within the set to a certainty greater than the 99% confidence interval. C1 Iowa State Univ, Ames Lab, USDOE, Ames, IA 50011 USA. RP Bajic, SJ (reprint author), Iowa State Univ, Ames Lab, USDOE, 9 Spedding Hall, Ames, IA 50011 USA. NR 15 TC 16 Z9 16 U1 3 U2 11 PU AMER SOC TESTING MATERIALS PI W CONSHOHOCKEN PA 100 BARR HARBOR DR, W CONSHOHOCKEN, PA 19428-2959 USA SN 0022-1198 J9 J FORENSIC SCI JI J. Forensic Sci. PD SEP PY 2005 VL 50 IS 5 BP 1123 EP 1127 PG 5 WC Medicine, Legal SC Legal Medicine GA 961KE UT WOS:000231660300017 PM 16225219 ER PT J AU Chen, PS Dasgupta, K Narayan, K Shmakova, M Zagermann, M AF Chen, PS Dasgupta, K Narayan, K Shmakova, M Zagermann, M TI Brane inflation, solitons and cosmological solutions: I SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Review DE F-theory; supergravity models; D-branes; M-theory ID PRIMORDIAL BLACK-HOLES; KALUZA-KLEIN COSMOLOGIES; DIMENSIONAL STRING COMPACTIFICATIONS; ACCELERATING COSMOLOGIES; PAIR CREATION; HYBRID INFLATION; CALABI-YAU; F-THEORY; SUPERSYMMETRY BREAKING; COSMIC STRINGS AB In this paper we study various cosmological solutions for a D3/D7 system directly from M-theory with fluxes and M2-branes. In M-theory, these solutions exist only if we incorporate higher derivative corrections from the curvatures as well as G-fluxes. We take these corrections into account and study a number of toy cosmologies, including one with a novel background for the D3/D7 system whose supergravity solution can be completely determined. This new background preserves all the good properties of the original model and opens up avenues to investigate cosmological effects from wrapped branes and brane-antibrane annihilation, to name a few. We also discuss in some detail semilocal defects with higher global symmetries, for example exceptional ones, that could occur in a slightly different regime of our D3/D7 model. We show that the D3/D7 system does have the required ingredients to realise these configurations as non-topological solitons of the theory. These constructions also allow us to give a physical meaning to the existence of certain underlying homogeneous quaternionic Kahler manifolds. C1 Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. Univ Illinois, Loomis Lab, Urbana, IL 61801 USA. Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. Stanford Univ, Varian Lab, Stanford, CA 94309 USA. RP Chen, PS (reprint author), Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. EM chen@slac.stanford.edu; keshav@uiuc.edu; narayan@theory.tifr.res.in; shmakova@slac.stanford.edu; zagermann@itp.stanford.edu NR 270 TC 34 Z9 35 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD SEP PY 2005 IS 9 AR 009 DI 10.1088/1126-6708/2005/09/009 PG 95 WC Physics, Particles & Fields SC Physics GA 970UE UT WOS:000232334600009 ER PT J AU Creminelli, P Nicolis, A Papucci, M Trincherini, E AF Creminelli, P Nicolis, A Papucci, M Trincherini, E TI Ghosts in massive gravity SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE classical theories of gravity ID GRAVITATIONAL-FIELDS; SPACE AB In the context of Lorentz-invariant massive gravity we show that classical solutions around heavy sources are plagued by ghost instabilities. The ghost shows up in the effective field theory at huge distances from the source, much bigger than the Vainshtein radius. Its presence is independent of the choice of the non-linear terms added to the Fierz-Pauli lagrangian. At the Vainshtein radius the mass of the ghost is of order of the inverse radius, so that the theory cannot be trusted inside this region, not even at the classical level. C1 Harvard Univ, Jefferson Phys Lab, Cambridge, MA 02138 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Ernest Orlando Lawrence Berkeley Natl Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. Heidelberg Univ, Inst Theoret Phys, D-69120 Heidelberg, Germany. RP Creminelli, P (reprint author), Harvard Univ, Jefferson Phys Lab, Cambridge, MA 02138 USA. EM creminel@bose.harvard.edu; nicolis@fas.harvard.edu; papucci@berkeley.edu; e.trincherini@thphys.uni-heidelberg.de NR 20 TC 116 Z9 116 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD SEP PY 2005 IS 9 AR 003 DI 10.1088/1126-6708/2005/09/003 PG 19 WC Physics, Particles & Fields SC Physics GA 970UE UT WOS:000232334600003 ER PT J AU Rizzo, TG AF Rizzo, TG TI Lorentz violation in extra dimensions SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE beyond standard model; large extra dimensions; compactification and string models ID ANAPOLE MOMENT; CHARGE RADIUS; FIELDS; NEUTRINO; SYMMETRY; BREAKING; STRINGS; TERMS; CPT AB In theories with extra dimensions it is well known that the Lorentz invariance of the D = 4 + n-dimensional spacetime is lost due to the compactified nature of the n dimensions leaving invariance only in 4d. In such theories other sources of Lorentz violation may exist associated with the physics that initiated the compactification process at high scales. Here we consider the possibility of capturing some of this physics by analyzing the higher dimensional analog of the model of Colladay and Kostelecky. In that scenario a complete set of Lorentz violating operators arising from spontaneous Lorentz violation, that are not obviously Planck-scale suppressed, are added to the Standard Model action. Here we consider the influence of the analogous set of operators which break Lorentz invariance in 5d within the Universal Extra Dimensions picture. We show that such operators can greatly alter the anticipated Kaluza-Klein(KK) spectra, induce electroweak symmetry breaking at a scale related to the inverse compactification radius, yield sources of parity violation in, e. g., 4d QED/QCD and result in significant violations of KK-parity conservation produced by fermion Yukawa couplings, thus destabilizing the lightest KK particle. LV in 6d is briefly discussed. C1 Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Stanford Linear Accelerator Ctr, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. EM rizzo@slac.stanford.edu NR 40 TC 5 Z9 5 U1 1 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD SEP PY 2005 IS 9 AR 036 DI 10.1088/1126-6708/2005/09/036 PG 18 WC Physics, Particles & Fields SC Physics GA 970UE UT WOS:000232334600036 ER PT J AU Page, JS Tolmachev, AV Tang, K Smith, RD AF Page, JS Tolmachev, AV Tang, K Smith, RD TI Variable low-mass filtering using an electrodynamic ion funnel SO JOURNAL OF MASS SPECTROMETRY LA English DT Article DE low-mass filter; potential energy barrier; electrodynamic ion funnel; ion mobility; background species ID CYCLOTRON RESONANCE FREQUENCIES; MULTIPLY-CHARGED IONS; SPACE-CHARGE; ESI-FTICR; SPECTROMETRY; TRAP; INTERFACE; ACCUMULATION; ACCURACY; SHIFTS AB An adjustable low-mass filter has been developed for an electrospray ionization (ESI) source to block ions associated with unwanted background species from entering the mass spectrometer. The low-mass filter is made by using an adjustable potential energy barrier from the conductance-limiting plate of an electrodynamic ion funnel, which prohibits species with higher ion mobilities from exiting the ESI source. We show that this arrangement provides a linear voltage adjustment for low-mass filtering from m/z 0 to 500. Mass filtering above m/z 500 is also performed; however, higher-mass species are attenuated. The mass filter was tested with a liquid chromatography/mass spectrometry (LC/MS) analysis of a bovine serum albumin (BSA) tryptic digest and resulted in the ability to block low-mass, background species, which accounted for 40-70% of the total ion current immediately behind the ESI source during peak elution and detection. Copyright (c) 2005 John Wiley & Sons, Ltd. C1 Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99354 USA. RP Smith, RD (reprint author), Pacific NW Natl Lab, Div Biol Sci, POB 999,MS K8-98, Richland, WA 99354 USA. EM rds@pnl.gov RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU NCRR NIH HHS [RR 12365] NR 30 TC 8 Z9 9 U1 2 U2 17 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 1076-5174 J9 J MASS SPECTROM JI J. Mass Spectrom. PD SEP PY 2005 VL 40 IS 9 BP 1215 EP 1222 DI 10.1002/jms.900 PG 8 WC Biochemical Research Methods; Chemistry, Analytical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA 967FZ UT WOS:000232078200009 PM 16127660 ER PT J AU Evans, RD Howe, JY Bentley, J Doll, GL Glass, JT AF Evans, RD Howe, JY Bentley, J Doll, GL Glass, JT TI Influence of deposition parameters on the composition and structure of reactively sputtered nanocomposite TaC/a-C : H thin films SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID DIAMOND-LIKE CARBON; CONTAINING HYDROCARBON COATINGS; AMORPHOUS HYDROGENATED CARBON; PLASMA-ASSISTED DEPOSITION; MECHANICAL-PROPERTIES; HARD COATINGS; GROWTH; MICROSTRUCTURE; WC; TITANIUM AB The properties of nanocomposite tantalum carbide/amorphous hydrocarbon (TaC/a-C:H) thin films depend closely on reactive magnetron sputtering deposition process conditions. The chemical composition and structure trends for TaC/a-C:H films were obtained as a function of three deposition parameters: acetylene flow rate, applied direct current (dc) bias voltage, and substrate carousel rotation rate. Films were deposited according to a 2 3 factorial experimental design to enable multiple linear regression modeling of property trends. The Ta/C atomic ratio, hydrogen content, total film thickness, TaC crystallite size, and Raman spectra were statistically dependent on acetylene flow rate, applied dc bias voltage, or both. Transmission electron microscopy revealed a nanometer-scale lamellar film structure, the periodicity of which was affected mostly by substrate carousel rotation rate. The empirical property trends were interpreted with respect to hypothesized growth mechanisms that incorporate elements of physical vapor deposition and plasma-enhanced chemical vapor deposition. C1 Timken Co, Canton, OH 44706 USA. Case Western Reserve Univ, Cleveland, OH 44106 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Duke Univ, Durham, NC 27708 USA. RP Evans, RD (reprint author), Timken Co, Canton, OH 44706 USA. EM ryan.evans@timken.com RI Howe, Jane/G-2890-2011; Glass, Jeffrey/A-2266-2010; OI Glass, Jeffrey/0000-0002-9554-4398; Evans, Ryan/0000-0003-4549-8247 NR 64 TC 9 Z9 9 U1 2 U2 9 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DR, WARRENDALE, PA 15086 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD SEP PY 2005 VL 20 IS 9 BP 2583 EP 2596 DI 10.1557/JMR.2005.0324 PG 14 WC Materials Science, Multidisciplinary SC Materials Science GA 961GC UT WOS:000231648900045 ER PT J AU Alsem, DH Stach, EA De Hosson, JTM AF Alsem, DH Stach, EA De Hosson, JTM TI Quantitative characterization of the growth and morphological evolution of bicrystalline aluminum thin films SO JOURNAL OF MATERIALS SCIENCE LA English DT Letter ID SINGLE-CRYSTAL SI; VAPOR-DEPOSITION; METAL-FILMS C1 Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA USA. Univ Groningen, Dept Appl Phys, NL-9747 AG Groningen, Netherlands. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. RP Alsem, DH (reprint author), Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA USA. RI Stach, Eric/D-8545-2011; De Hosson, Jeff/C-2169-2013; OI Stach, Eric/0000-0002-3366-2153; De Hosson, Jeff/0000-0002-2587-3233 NR 10 TC 3 Z9 3 U1 0 U2 3 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0022-2461 J9 J MATER SCI JI J. Mater. Sci. PD SEP PY 2005 VL 40 IS 18 BP 5033 EP 5036 DI 10.1007/s10853-005-1077-x PG 4 WC Materials Science, Multidisciplinary SC Materials Science GA 966YV UT WOS:000232059600059 ER PT J AU Fox, A Larsson, L Allmaier, G Wunschel, D Wahl, K AF Fox, A Larsson, L Allmaier, G Wunschel, D Wahl, K TI 5th International Symposium on the Interface between Analytical Chemistry and Microbiology - April 19th to 21st, 2004 - Hosted at Pacific Northwest National Laboratory SO JOURNAL OF MICROBIOLOGICAL METHODS LA English DT Editorial Material C1 Univ S Carolina, Columbia, SC 29208 USA. Lund Univ, S-22100 Lund, Sweden. Vienna Univ Tech, A-1010 Vienna, Austria. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Fox, A (reprint author), Univ S Carolina, Columbia, SC 29208 USA. EM JTJDYTH@gw.med.sc.edu; Lennart.Larsson@mmb.lu.se; Guenter.allmaier@univie.ac.at; David.Wunschel@pnl.gov; Karen.Wahl@pnl.gov RI Wunschel, David/F-3820-2010; Allmaier, Guenter/F-2604-2012 NR 3 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-7012 J9 J MICROBIOL METH JI J. Microbiol. Methods PD SEP PY 2005 VL 62 IS 3 SI SI BP 257 EP 258 DI 10.1016/j.mimet.2005.04.010 PG 2 WC Biochemical Research Methods; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA 961CC UT WOS:000231638500001 PM 15982763 ER PT J AU Wunschel, DS Hill, EA McLean, JS Jarman, K Gorby, YA Valentine, N Wahl, K AF Wunschel, DS Hill, EA McLean, JS Jarman, K Gorby, YA Valentine, N Wahl, K TI Effects of varied pH, growth rate and temperature using controlled fermentation and batch culture on Matrix Assisted Laser Desorption/Ionization whole cell protein fingerprints SO JOURNAL OF MICROBIOLOGICAL METHODS LA English DT Article; Proceedings Paper CT 5th International Symposium on the Interface between Analytical Chemistry and Microbiology CY APR 19-21, 2004 CL Pacific NW Natl Lab, Washington, DC HO Pacific NW Natl Lab DE MALDI-MS; bacterial identification; culture condition; protein signatures ID TIME-OF-FLIGHT; TOF MASS-SPECTROMETRY; ESCHERICHIA-COLI; RAPID IDENTIFICATION; INTACT MICROORGANISMS; BACTERIA; REPRODUCIBILITY; BIOMARKERS; SPORES; MEDIA AB Rapid identification of microorganisms using matrix assisted laser desorption/ionization (MALDI) is a rapidly growing area of research due to the minimal sample preparation, speed of analysis and broad applicability of the technique. This approach relies on expressed biochemical markers, often proteins, to identify microorganisms. Therefore, variations in culture conditions that affect protein expression may limit the ability of MALDI-MS to correctly identify an organism. We have expanded our efforts to investigate the effects of culture conditions on MALDI-MS signatures to specifically examine the effects of pH, growth rate and temperature. Continuous cultures maintained in bioreactors were used to maintain specific growth rates and pH for E. coli HB 101. Despite measurable morphological differences between growth conditions, the MALDI-MS data associated each culture with the appropriate library entry (E. coli HB 10 1 generated using batch culture on a LB media), independent of pH or growth rate. The lone exception was for a biofilm sample collected from one of the reactors which had no appreciable degree of association with the correct library entry. Within the data set for planktonic organisms, variations in growth rate created the largest variation between fingerprints. The effect of varying growth temperature on Y enterocolitica was also examined. While the anticipated effects on phenotype were observed, the MALDI-MS technique provided the proper identification. (c) 2005 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wunschel, DS (reprint author), Pacific NW Natl Lab, MS P8-08,POB 999, Richland, WA 99352 USA. EM David.Wunschel@pnl.gov RI Wunschel, David/F-3820-2010; McLean, Jeffrey/A-8014-2012 OI McLean, Jeffrey/0000-0001-9934-5137 NR 31 TC 42 Z9 44 U1 2 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-7012 J9 J MICROBIOL METH JI J. Microbiol. Methods PD SEP PY 2005 VL 62 IS 3 SI SI BP 259 EP 271 DI 10.1016/j.mimet.2005.04.033 PG 13 WC Biochemical Research Methods; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA 961CC UT WOS:000231638500002 PM 15979749 ER PT J AU Straub, TM Dockendorff, BP Quinonez-Diaz, MD Valdez, CO Shutthanandan, JI Tarasevich, BJ Grate, JW Bruckner-Lea, CJ AF Straub, TM Dockendorff, BP Quinonez-Diaz, MD Valdez, CO Shutthanandan, JI Tarasevich, BJ Grate, JW Bruckner-Lea, CJ TI Automated methods for multiplexed pathogen detection SO JOURNAL OF MICROBIOLOGICAL METHODS LA English DT Article; Proceedings Paper CT 5th International Symposium on the Interface between Analytical Chemistry and Microbiology CY APR 19-21, 2004 CL Pacific NW Natl Lab, Washington, DC HO Pacific NW Natl Lab DE analytical separations; automated methods; microarrays; pathogens; biodetection ID POLYMERASE-CHAIN-REACTION; 16S RIBOSOMAL-RNA; OLIGONUCLEOTIDE MICROARRAYS; IMMUNOMAGNETIC SEPARATION; RENEWABLE MICROCOLUMNS; CRYPTOSPORIDIUM-PARVUM; ENVIRONMENTAL-SAMPLES; SOIL EXTRACTS; PCR; BACTERIA AB Detection of pathogenic microorganisms in environmental samples is a difficult process. Concentration of the organisms of interest also co-concentrates inhibitors of many end-point detection methods, notably, nucleic acid methods. In addition, sensitive, highly multiplexed pathogen detection continues to be problematic. The primary function of the BEADS (Biodetection Enabling Analyte Delivery System) platform is the automated concentration and purification of target analytes from interfering substances, often present in these samples, via a renewable surface column. In one version of BEADS, automated immunomagnetic separation (IMS) is used to separate cells from their samples. Captured cells are transferred to a flow-through thermal cycler where PCR, using labeled primers, is performed. PCR products are then detected by hybridization to a DNA suspension array. In another version of BEADS, cell lysis is performed, and community RNA is purified and directly labeled. Multiplexed detection is accomplished by direct hybridization of the RNA to a planar microarray. The integrated IMS/PCR version of BEADS can successfully purify and amplify 10 E. coli O157:H7 cells from river water samples. Multiplexed PCR assays for the simultaneous detection of E. coli O157:H7, Salmonella, and Shigella on bead suspension arrays was demonstrated for the detection of as few as 100 cells for each organism. Results for the RNA version of BEADS are also showing promising results. Automation yields highly purified RNA, suitable for multiplexed detection on microarrays, with microarray detection specificity equivalent to PCR. Both versions of the BEADS platform show great promise for automated pathogen detection from environmental samples. Highly multiplexed pathogen detection using PCR continues to be problematic, but may be required for trace detection in large volume samples. The RNA approach solves the issues of highly multiplexed PCR and provides "live vs. dead" capabilities. However, sensitivity of the method will need to be improved for RNA analysis to replace PCR. (c) 2005 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Interfacial Chem & Engn Grp, Richland, WA 99352 USA. RP Straub, TM (reprint author), Pacific NW Natl Lab, Interfacial Chem & Engn Grp, 902 Battelle Blvd,POB 999,Mailstop K4-12, Richland, WA 99352 USA. EM timothy.straub@pnl.gov NR 44 TC 50 Z9 58 U1 1 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-7012 J9 J MICROBIOL METH JI J. Microbiol. Methods PD SEP PY 2005 VL 62 IS 3 BP 303 EP 316 DI 10.1016/j.mimet.2005.04.012 PG 14 WC Biochemical Research Methods; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA 961CC UT WOS:000231638500006 PM 15979746 ER PT J AU Lapizco-Encinas, BH Davalos, RV Simmons, BA Cummings, EB Fintschenko, Y AF Lapizco-Encinas, BH Davalos, RV Simmons, BA Cummings, EB Fintschenko, Y TI An insulator-based (electrodeless) dielectrophoretic concentrator for microbes in water SO JOURNAL OF MICROBIOLOGICAL METHODS LA English DT Article; Proceedings Paper CT 5th International Symposium on the Interface between Analytical Chemistry and Microbiology CY APR 19-21, 2004 CL Pacific NW Natl Lab, Washington, DC HO Pacific NW Natl Lab DE dielectrophoresis; microorganism concentration; electrokinesis; dielectrophoretic trapping; electroosmosis ID IMPEDANCE MEASUREMENT METHOD; SELECTIVE DETECTION; MANIPULATION; SEPARATION; CELLS; BACTERIA; LIVE; MICROORGANISMS; CONDUCTIVITY; VIRUSES AB Dielectrophoresis (DEP), the motion of a particle caused by an applied electric field gradient, can concentrate microorganisms non-destructively. In insulator-based dielectrophoresis (iDEP) insulating microstructurres produce non-uniform electric fields to drive DEP in microsystems. This article describes the performance of an iDEP device in removing and concentrating bacterial cells, spores and viruses while operated with a DC applied electric field and pressure gradient. Such a device can selectively trap particles when dielectrophoresis overcomes electrokinesis or advection. The dielectrophoretic trapping behavior of labeled microorganisms in a glass-etched DEP device was observed over a wide range of DC applied electric fields. When fields higher than a particle-specific threshold are applied, particles are reversibly trapped in the device. Experiments with Bacillus subtilis spores and the Tobacco Mosaic Virus (TMV) exhibited higher trapping thresholds than those of bacterial cells. The iDEP device was characterized in terms of concentration factor and removal efficiency. Under the experimental conditions used in this study with an initial dilution of I X 105 cells/ml, concentration factors of the order of 3000x and removal efficiencies approaching 100% were observed with Escherichia coli cells. These results are the first characterization of an DEP device for the concentration and removal of microbes in water. (c) 2005 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Microfluid Dept, Livermore, CA 94551 USA. RP Fintschenko, Y (reprint author), Sandia Natl Labs, Microfluid Dept, POB 969,MS 9951, Livermore, CA 94551 USA. EM yfintsc@sandia.gov RI Lapizco-Encinas, Blanca/C-4104-2008; Davalos, Rafael/F-9012-2011; Sano, Michael/E-1715-2011; OI Lapizco-Encinas, Blanca/0000-0001-6283-8210; Simmons, Blake/0000-0002-1332-1810 NR 43 TC 119 Z9 119 U1 2 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-7012 J9 J MICROBIOL METH JI J. Microbiol. Methods PD SEP PY 2005 VL 62 IS 3 SI SI BP 317 EP 326 DI 10.1016/j.mimet.2005.04.027 PG 10 WC Biochemical Research Methods; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA 961CC UT WOS:000231638500007 PM 15941604 ER PT J AU Majors, PD McLean, JS Pinchuk, GE Fredrickson, JK Gorby, YA Minard, KR Wind, RA AF Majors, PD McLean, JS Pinchuk, GE Fredrickson, JK Gorby, YA Minard, KR Wind, RA TI NMR methods for in situ biofilm metabolism studies SO JOURNAL OF MICROBIOLOGICAL METHODS LA English DT Article; Proceedings Paper CT 5th International Symposium on the Interface between Analytical Chemistry and Microbiology CY APR 19-21, 2004 CL Pacific NW Natl Lab, Washington, DC HO Pacific NW Natl Lab DE nuclear magnetic resonance spectroscopy; microscopy; imaging; Shewanella oneidensis strain MR-1; biofilm; metabolite analysis; L-[3-C-13]lactate ID NUCLEAR-MAGNETIC-RESONANCE; ESCHERICHIA-COLI; SACCHAROMYCES-CEREVISIAE; PSEUDOMONAS-AERUGINOSA; GRANULAR SLUDGE; ROOT-NODULES; BED REACTOR; SPECTROSCOPY; TRANSPORT; CULTURES AB Novel procedures and instrumentation are described for nuclear magnetic resonance (NMR) spectroscopy and imaging studies of live, in situ microbial films. A perfused NMR/optical microscope sample chamber containing a planar biofilm support was integrated into a recirculation/dilution flow loop growth reactor system and used to grow in situ Shewanella oneidensis strain MR-1 biofilms. Localized NMR techniques were developed and used to non-invasively monitor time-resolved metabolite concentrations and to image the biomass volume and distribution. As a first illustration of the feasibility of the methodology an initial C-13-labeled lactate metabolic pathway study was performed, yielding results consistent with existing genomic data for MR-1. These results represent progress toward our ultimate goal of correlating time- and depth-resolved metabolism and mass transport with gene expression in live in situ biofilms using combined NMR/optical microscopy techniques. (c) 2005 Elsevier B.V. All rights reserved. C1 MSIN, Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wind, RA (reprint author), MSIN, Pacific NW Natl Lab, K8-98, Richland, WA 99352 USA. EM robert.wind@pnl.gov RI McLean, Jeffrey/A-8014-2012 OI McLean, Jeffrey/0000-0001-9934-5137 NR 47 TC 35 Z9 35 U1 2 U2 25 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-7012 J9 J MICROBIOL METH JI J. Microbiol. Methods PD SEP PY 2005 VL 62 IS 3 SI SI BP 337 EP 344 DI 10.1016/j.mimet.2005.04.017 PG 8 WC Biochemical Research Methods; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA 961CC UT WOS:000231638500009 PM 15936835 ER PT J AU Griffiths, SK Losey, MW Hachman, JT Skala, DM Hunter, LL Yang, NYC Boehme, DR Korellis, JS Aigeldinger, G Lu, WY Kelly, LJ Hekmaty, MA McLean, DE Yang, PCY Hauck, CA Friedmann, TA AF Griffiths, SK Losey, MW Hachman, JT Skala, DM Hunter, LL Yang, NYC Boehme, DR Korellis, JS Aigeldinger, G Lu, WY Kelly, LJ Hekmaty, MA McLean, DE Yang, PCY Hauck, CA Friedmann, TA TI Resist substrate studies for LIGA microfabrication with application to a new anodized aluminum substrate SO JOURNAL OF MICROMECHANICS AND MICROENGINEERING LA English DT Article ID X-RAY-LITHOGRAPHY; SYNCHROTRON RADIATION LITHOGRAPHY; ENHANCED ADHESION; STRUCTURE QUALITY; METAL STRUCTURES; PMMA-STRUCTURES; MICROSTRUCTURES; FLUORESCENCE; TEMPERATURE; LIMITATIONS AB Resist substrates used in the LIGA process must provide high initial bond strength between the substrate and resist, little degradation of the bond strength during x-ray exposure, acceptable undercut rates during development and a surface enabling good electrodeposition of metals. Additionally, they should produce little fluorescence radiation and give small secondary doses in bright regions of the resist at the substrate interface. To develop a new substrate satisfying all these requirements, we have investigated secondary resist doses due to electrons and fluorescence, resist adhesion before exposure, loss of fine features during extended development and the nucleation and adhesion of electrodeposits for various substrate materials. The result of these studies is a new anodized aluminum substrate and accompanying methods for resist bonding and electrodeposition. We demonstrate the successful use of this substrate through all process steps and establish its capabilities via the fabrication of isolated resist features down to 6 mu m, feature aspect ratios up to 280 and electroformed nickel structures at heights of 190 to 1400 mu m. The minimum mask absorber thickness required for this new substrate ranges from 7 to 15 mu m depending on the resist thickness. C1 Sandia Natl Labs, Livermore, CA 94551 USA. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Griffiths, SK (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. NR 39 TC 10 Z9 10 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0960-1317 J9 J MICROMECH MICROENG JI J. Micromech. Microeng. PD SEP PY 2005 VL 15 IS 9 BP 1700 EP 1712 DI 10.1088/0960-1317/15/9/012 PG 13 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics, Applied SC Engineering; Science & Technology - Other Topics; Instruments & Instrumentation; Physics GA 969LB UT WOS:000232234500025 ER PT J AU Brutchey, RL Mork, BV Sirbuly, DJ Yang, PD Tilley, TD AF Brutchey, RL Mork, BV Sirbuly, DJ Yang, PD Tilley, TD TI A dimeric molecular precursor [((BUO)-B-t)(2)Ti{mu-O2Si[OSi((OBu)-Bu-t)(3)](2)}](2) to Ti(IV)/SiO2 catalysts for selective cyclohexene epoxidation SO JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL LA English DT Article DE titanium; molecular precursor route; supported catalysts; epoxidation; peroxides ID SILICA MIXED OXIDES; TI-BETA ZEOLITE; TITANIUM SILICALITE; OLEFIN EPOXIDATION; HYDROGEN-PEROXIDE; SOL-GEL; MESOPOROUS SILICA; TITANOSILICATE CATALYSTS; STRUCTURAL-PROPERTIES; PHASE OXIDATION AB The new dimeric complex [((BUO)-B-t)(2)Ti{mu-O2Si[OSi((OBu)-Bu-t)(3)](2)}]2 (1), prepared via silanolysis of Ti((OBu)-Bu-t)(4) with (HO)(2)Si[OSi((OBu)-Bu-t)(3)](2), is a structural and spectroscopic (NMR, FT-IR, UV-vis, XPS) model for Ti(IV)/SiO2. The molecular complex was used to prepare titanium-containing silica materials through both the thermolytic molecular precursor method (yielding TiO2 center dot 3SiO(2)) or by grafting 1 onto mesoporous SBA-15 silica. Grafting 1 onto SBA-15 yields mostly isolated Ti(IV) sites, as evidenced by DRUV-vis and photoluminescence spectroscopies. The resulting materials were found to be active and highly selective in the epoxidation of cyclohexene, yielding up to 71% of cyclohexene oxide based on oxidant (cumene hydroperoxide) after 2 h at 65 degrees C in toluene. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Tilley, TD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM tdtilley@berkeley.edu RI Brutchey, Richard/C-4506-2008 NR 52 TC 36 Z9 36 U1 2 U2 22 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1381-1169 EI 1873-314X J9 J MOL CATAL A-CHEM JI J. Mol. Catal. A-Chem. PD SEP 1 PY 2005 VL 238 IS 1-2 BP 1 EP 12 DI 10.1016/j.molcata.2005.04.032 PG 12 WC Chemistry, Physical SC Chemistry GA 952PU UT WOS:000231018800001 ER PT J AU Chen, W Bovin, JO Wang, SP Joly, AG Wang, YQ Sherwood, PMA AF Chen, W Bovin, JO Wang, SP Joly, AG Wang, YQ Sherwood, PMA TI Fabrication and luminescence of ZnS : Mn2+ nanoflowers SO JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY LA English DT Article DE nanoflowers; doped nanoparticles; semiconductors; luminescence; fractal structures; ZnS : Mn2+; fabrication; surfaces; defects ID DIFFUSION-LIMITED AGGREGATION; MOSAIC-VIRUS NANOPARTICLES; COMPLEX PATTERN-FORMATION; BACTERIAL COLONIES; THIN-FILMS; SPECTROSCOPY; FRACTALS; GROWTH AB Visually striking nanoflowers composed of ZnS:Mn2+ nanoparticles are prepared and characterized. The configurations of these fractal structures are very sensitive to both the pH values of the particle solutions from which they are precipitated and the substrates on which they are deposited. At pH 2.2, the fractal structures resemble trees without leaves; at pH 7.7, they are tree-like with four arms and at pH 11.0 they resemble trees with six arms. High resolution transmission microscopy reveals that the nanoflowers are composed of ZnS:Mn2+ nanoparticles of 2-5 nm in size. X-ray photoelectron spectral data indicate that the sample compositions of nitrogen, chlorine, and sulfur vary gradually with pH values of the solutions. These changes may have an impact on both the fractal configuration and the luminescence properties. The emission spectra of the particle solutions at pH values of 2.2 and 11.0 are similar with the emission maximum at 475 nm. As the pH value approaches 7.7, the emission spectral maximum shifts to longer wavelengths. At a pH value of 7.7, the emission peak wavelength is the reddest, 520 nm. The emission peak of the nanoflowers at a pH value of 9.3 is 510 nm, while the emission spectrum of the nanoflowers at 5.2 has two peaks at 500 nm and 440 nm, respectively. These blue-green emissions are attributed to defects and are the dominant luminescence from the nanoflowers. The emission from Mn2+ dopant is only observed in the delayed spectra of the fractal solid samples. C1 Nomadics Inc, Stillwater, OK 74074 USA. Lund Univ, Ctr Chem, SE-22100 Lund, Sweden. Pacific NW Natl Lab, Richland, WA 99352 USA. Oklahoma State Univ, Dept Chem, Stillwater, OK 74078 USA. RP Chen, W (reprint author), Nomadics Inc, 1024 S Innovat Way, Stillwater, OK 74074 USA. FU NCI NIH HHS [1 R43 CA112756-01] NR 34 TC 17 Z9 17 U1 1 U2 8 PU AMER SCIENTIFIC PUBLISHERS PI STEVENSON RANCH PA 25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA SN 1533-4880 J9 J NANOSCI NANOTECHNO JI J. Nanosci. Nanotechnol. PD SEP PY 2005 VL 5 IS 9 BP 1309 EP 1322 DI 10.1166/jnn.2005.302 PG 14 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 956IC UT WOS:000231292400002 PM 16193948 ER PT J AU Barnard, AS Russo, SP Snook, IK AF Barnard, AS Russo, SP Snook, IK TI Simulation and bonding of dopants in nanocrystalline diamond SO JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY LA English DT Review DE diamond; substitutional; dopants; impurities; nanoparticles; nanowires; nanocrystalline films; theory and simulation ID FIELD ELECTRON-EMISSION; TIGHT-BINDING METHOD; DOPED DIAMOND; CARBON-FILMS; THEORETICAL PREDICTIONS; STRUCTURAL-PROPERTIES; ENDOHEDRAL ATOMS; SINGLE-CRYSTALS; PHASE-STABILITY; NANOWIRES AB The doping of the wide-band gap semiconductor diamond has lead to the invention of many electronic and optoelectronic devices. Impurities can be introduced into diamond during chemical vapor deposition or high pressure-high temperature growth, resulting in materials with unusual physical and chemical properties. For electronic applications one of the main objectives in the doping of diamond is the production of p-type and n-type semiconductors materials; however, the study of dopants in diamond nanoparticles is considered important for use in nanodevices, or as qubits for quantum computing. Such devices require that bonding of dopants in nanodiamond must be positioned substitutionally at a lattice site, and must exhibit minimal or no possibility of diffusion to the nanocrystallite surface. In light of these requirements, a number of computational studies have been undertaken to examine the stability of various dopants in various forms of nanocrystalline diamond. Presented here is a review of some such studies, undertaken using quantum mechanical based simulation methods, to provide an overview of the crystal stability of doped nanodiamond for use in diamondoid nanodevices. C1 Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RMIT Univ, Sch Appl Sci, Melbourne, Vic 3001, Australia. RP Barnard, AS (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Barnard, Amanda/A-7340-2011; snook, ian/A-3427-2009; Russo, Salvy/E-5837-2011; OI Barnard, Amanda/0000-0002-4784-2382; Russo, Salvy/0000-0003-3589-3040 NR 71 TC 5 Z9 6 U1 0 U2 16 PU AMER SCIENTIFIC PUBLISHERS PI VALENCIA PA 26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA SN 1533-4880 J9 J NANOSCI NANOTECHNO JI J. Nanosci. Nanotechnol. PD SEP PY 2005 VL 5 IS 9 BP 1395 EP 1407 DI 10.1166/jnn.2005.306 PG 13 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 956IC UT WOS:000231292400007 PM 16193953 ER PT J AU Zhang, J Su, FH Chen, W Sammynaiken, R Westcott, SL McCready, DE Li, GH Joly, AG AF Zhang, J Su, FH Chen, W Sammynaiken, R Westcott, SL McCready, DE Li, GH Joly, AG TI Synthesis and luminescence of ZnMgS : Mn2+ nanoparticles SO JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY LA English DT Article DE ZnMgS : Mn2+ nanoparticles; wet chemical synthesis; green emission; phosphor; luminescence ID FILM ELECTROLUMINESCENT DEVICES; ZNS-MN NANOPARTICLES; STIMULATED-EMISSION; PHASE-STRUCTURE; NANOCRYSTALS; ZN1-XMGXS-MN; SPECTRA; PHOTOLUMINESCENCE; DEPENDENCE; MECHANISM AB Efficient green emission from ZnMgS:Mn2+ nanoparticles prepared by co-doping Mg2+ and Mn2+ ions into ZnS lattices has been observed. The synthesis is carried out in aqueous solution, followed by a post-annealing process, thus showing the features of less complexity, low cost, and easy incorporation of dopants. In comparison with the emission of ZnS:Mn2+ nanoparticles, which is located generally around 590 nm, the photoluminescence of ZnMgS:Mn2+ nanoparticles is blue-shifted by 14 nm in wavelength, leading to the enhanced green emission. The X-ray diffraction, electron spin resonance, and pressure dependent photoluminescence measurements suggest that the change of the crystal field caused by Mg2+ ionic doping and the lower symmetry in the nanoparticles may account for the blue-shift of the photoluminescence. The ZnMgS:Mn2+ nanoparticles with 1% Mn2+ doping exhibit the strongest luminescence, which could potentially meet the requirements for the construction of green light emitting diodes. C1 Nomadics Inc, Stillwater, OK 74074 USA. Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100864, Peoples R China. Univ Saskatchewan, Dept Biochem, Saskatoon, SK S7N 5C9, Canada. Univ Saskatchewan, Saskatchewan Struct Sci Ctr, Saskatoon, SK S7N 5C9, Canada. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Chen, W (reprint author), Nomadics Inc, 1024 S Innovat Way, Stillwater, OK 74074 USA. NR 38 TC 6 Z9 6 U1 1 U2 6 PU AMER SCIENTIFIC PUBLISHERS PI STEVENSON RANCH PA 25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA SN 1533-4880 J9 J NANOSCI NANOTECHNO JI J. Nanosci. Nanotechnol. PD SEP PY 2005 VL 5 IS 9 BP 1465 EP 1471 DI 10.1166/jnn.2005.313 PG 7 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 956IC UT WOS:000231292400013 PM 16193959 ER PT J AU Olano, EM Grant, CD Norman, TJ Castner, EW Zhang, JZ AF Olano, EM Grant, CD Norman, TJ Castner, EW Zhang, JZ TI Photoluminescence decay dynamics and mechanism of energy transfer in undoped and Mn2+ doped ZnSe nanoparticles SO JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY LA English DT Article DE photoluminescence decay dynamics; energy transfer dynamics; Mn2+-doped ZnSe nanoparticles ID SEMICONDUCTOR NANOPARTICLES; LUMINESCENT MATERIALS; OPTICAL-PROPERTIES; NANOCRYSTALS; SURFACE; FLUORESCENCE; LATTICE AB Energy transfer dynamics in Mn2+-doped ZnSe nanoparticles have been studied by monitoring the photoluminescence using time-integrated and time-resolved spectroscopic techniques. Upon Mn2+ doping, static photoluminescence (PL) spectra show that the bandedge excitonic state is quenched and the characteristic Mn2+ emission appears at 584 nm. Picosecond PL kinetics and femtosecond transient absorption studies have both found that the Mn2+ doping substantially shortens the average lifetimes of the bandedge excitonic state as well as shallow trap states. The energy transfer from ZnSe to Mn2+ likely follows two mechanisms, one mediated through trap states and another without. C1 Univ Calif Santa Cruz, Dept Chem, Santa Cruz, CA 95064 USA. Rutgers State Univ, Dept Chem & Biol Chem, Piscataway, NJ 08854 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Zhang, JZ (reprint author), Univ Calif Santa Cruz, Dept Chem, Santa Cruz, CA 95064 USA. NR 21 TC 10 Z9 10 U1 1 U2 11 PU AMER SCIENTIFIC PUBLISHERS PI STEVENSON RANCH PA 25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA SN 1533-4880 J9 J NANOSCI NANOTECHNO JI J. Nanosci. Nanotechnol. PD SEP PY 2005 VL 5 IS 9 BP 1492 EP 1497 DI 10.1166/jnn.2005.315 PG 6 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 956IC UT WOS:000231292400017 PM 16193963 ER PT J AU Yantasee, W Fryxell, GE Conner, MM Lin, YH AF Yantasee, W Fryxell, GE Conner, MM Lin, YH TI Nanostructured electrochemical sensors based on functionalized nanoporous silica for voltammetric analysis of lead, mercury, and copper SO JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY LA English DT Article DE electrochemical sensor; glycinylurea; self-assembled monolayer; mesoporous silica; lead; mercury; copper; adsorptive stripping voltammetry ID SELF-ASSEMBLED MONOLAYERS; MESOPOROUS SUPPORTS SAMMS; ACTINIDE SEQUESTRATION AB We have successfully developed electrochemical sensors based on functionalized nanostructured materials for voltammetric analysis of toxic metal ions. Glycinylurea self-assembled monolayers on mesoporous silica (Gly-UR SAMMS) were incorporated in carbon paste electrodes for the detection of toxic metal ions such as lead, copper, and mercury based on adsorptive stripping voltammetry (AdSV). The electrochemical sensor yields a linear response at a low ppb level of Pb2+ (i.e., 2.5-50 ppb) after a 2-min preconcentration period, with reproducible measurements (%RSD = 3.5, N = 6) and an excellent detection limit (1 ppb). By exploiting the interfacial functionality of Gly-UR SAMMS, the sensor is selective for the target species, does not require the use of a mercury film, and can be easily regenerated in dilute acid solution. The rigid, open, parallel pore structure, combined with suitable interfacial chemistry of SAMMS, also results in fast analysis times (2-3 min). The nanostructured SAMMS materials enable the development of miniature sensing devices that are compact and low cost, have low energy consumption, and are easily integrated into field-deployable units. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 FU NIEHS NIH HHS [1 R01 ES010976-01A2] NR 24 TC 28 Z9 28 U1 0 U2 6 PU AMER SCIENTIFIC PUBLISHERS PI STEVENSON RANCH PA 25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA SN 1533-4880 J9 J NANOSCI NANOTECHNO JI J. Nanosci. Nanotechnol. PD SEP PY 2005 VL 5 IS 9 BP 1537 EP 1540 DI 10.1166/jnn.2005.324 PG 4 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 956IC UT WOS:000231292400024 PM 16193970 ER PT J AU Shen, J Zou, J Ye, L Lu, ZP Xing, DW Yan, M Sun, JF AF Shen, J Zou, J Ye, L Lu, ZP Xing, DW Yan, M Sun, JF TI Glass-forming ability and thermal stability of a new bulk metallic glass in the quaternary Zr-Cu-Ni-Al system SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article ID AMORPHOUS-ALLOYS; MECHANICAL-PROPERTIES; SUPERCOOLED LIQUID; HIGH-STRENGTH; DIAMETER; SN; MM; CRYSTALLIZATION; ROD; GD AB A new quaternary Zr-based bulk metallic glass, Zr(51)Cu(20.7)Ni(12)Al(16.3), was developed by using a newly proposed approach. It has shown that the reduced glass transition temperature, defined as the ratio of the glass transition temperature to the melting point temperature, of the new quaternary Zr-based bulk metallic glass is as high as 0.66. The Gibbs free energy difference between the glassy state and the corresponding equilibrium crystals is estimated to be 0.99 kJ/mol. The maximum diameter of the glassy rod-like sample prepared through conventional copper-mold casting is close to 5 mm. The single amorphous phase remains unchanged after holding at 400 degrees C for 60 min. These suggest this new alloy having a reasonable glass-forming ability and a high thermal stability against crystallization, promising a base composition for creating other Zr-based bulk glass formers. (c) 2005 Elsevier B.V. All rights reserved. C1 Harbin Inst Technol, Sch Mat Sci & Engn, Harbin 150001, Peoples R China. Univ Sydney, Sch Aerosp Mech & Mech Engn, Sydney, NSW 2006, Australia. Univ Queensland, Sch Engn, Brisbane, Qld 4066, Australia. Univ Queensland, Ctr Microscopy & Microanal, Brisbane, Qld 4066, Australia. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Shen, J (reprint author), Harbin Inst Technol, Sch Mat Sci & Engn, Harbin 150001, Peoples R China. EM junshen@public.hr.hl.cn RI Zou, Jin/B-3183-2009; Lu, Zhao-Ping/A-2718-2009 OI Zou, Jin/0000-0001-9435-8043; NR 32 TC 24 Z9 28 U1 1 U2 9 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 SEP 1 PY 2005 VL 351 IS 30-32 BP 2519 EP 2523 DI 10.1016/j.jnoncrysol.2005.07.009 PG 5 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 965DR UT WOS:000231930800023 ER PT J AU Gibson, JK Haire, RG Marcalo, J Santos, M de Matos, AP Leal, JP AF Gibson, JK Haire, RG Marcalo, J Santos, M de Matos, AP Leal, JP TI Determination of the ionization energy of NpO(2) and comparative ionization energies of actinide oxides SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article; Proceedings Paper CT 11th International Symposium on Thermodynamics of Nuclear Materials CY SEP 06-09, 2004 CL Karlsruhe, GERMANY ID GAS-PHASE; PHOTOELECTRON-SPECTROSCOPY; ELECTRONIC-STRUCTURE; LASER SPECTROSCOPY; POTENTIALS; MOLECULE; IONS; UO2; NEPTUNIUM; OXIDATION AB The ionization energy of NpO(2) was determined by the electron-transfer bracketing technique employing Fourier transform ion cyclotron resonance mass spectrometry. Under thermoneutral. conditions the NpO(2)(+). ion was found to abstract an electron from NNN',N'-tetramethyl-1,4-phenylenediamine (IE = 6.20 +/- 0.05 ev) but not from N,N-dimethyl-1,4-phenylenediamine (IE = 6.46 +/- 0.02 eV). Accordingly it is concluded that IE[NpO(2)] = 6.33 +/- 0.18 eV. This result contrasts with a previously reported value for IE[NpO(2)] of similar to 5.0 eV. The new value for the ionization energy of NpO(2) from the present study is compared with those Of UO(2), PuO(2) and AmO(2). Literature values for the ionization energies of actinide monoxides and dioxides are tabulated, and systematic trends are considered. The recently reported second ionization energies for UO(2), NpO(2), PuO(2) and AmO(2) are also assessed. Comparisons of the various actinide oxide ionization energies are made with ionization energies of actinide atoms and with values for other relevant molecules. (c) 2005 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Inst Tecnol & Nucl, Dept Quim, P-2686953 Sacavem, Portugal. RP Gibson, JK (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Bldg 5505,MS-6375,POB 2008, Oak Ridge, TN 37831 USA. EM gibsonjk@ornl.gov; jmarcalo@itn.pt RI Leal, Joao/C-2386-2008; Marcalo, Joaquim/J-5476-2013; Santos, Marta/A-2411-2012; OI Leal, Joao/0000-0003-1235-0107; Marcalo, Joaquim/0000-0001-7580-057X; Pires de Matos, Antonio/0000-0001-6451-8050; Santos, Marta/0000-0002-8755-9442; Pires de Matos, Antonio/0000-0003-2674-6938 NR 23 TC 24 Z9 24 U1 2 U2 6 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 SEP 1 PY 2005 VL 344 IS 1-3 BP 24 EP 29 DI 10.1016/j.jnucmat.2005.04.010 PG 6 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 961FY UT WOS:000231648500006 ER PT J AU Stan, M Cristea, P AF Stan, M Cristea, P TI Defects and oxygen diffusion in PuO2-x SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article; Proceedings Paper CT 11th International Symposium on Thermodynamics of Nuclear Materials CY SEP 06-09, 2004 CL Karlsruhe, GERMANY ID THERMODYNAMIC APPROACH; MELTING BEHAVIOR; SYSTEM UO2-PUO2; STABILITY; PLUTONIUM; U1-ZPUZOW; DIOXIDES; ALLOYS; OXIDES AB A thermochemical model of defects formation is proposed. Using this model, defect species concentrations are determined. The model allows for the calculation of the non-stoichiometry of PuO2-x, as functions of temperature and oxygen pressure. A model of oxygen diffusion is proposed and the oxygen self and chemical diffusivities are calculated for temperatures in the (900-1400 degrees C) range and partial pressure of oxygen P-O2 is an element of (1-10(-25) atm). This work shows that, given appropriate parameters, the model is able to describe the non-stoichiometry and oxygen diffusivity in a reasonable way. (c) 2005 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Stan, M (reprint author), Los Alamos Natl Lab, POB 1663,MS-G755, Los Alamos, NM 87544 USA. EM mastan@lanl.gov NR 37 TC 21 Z9 22 U1 0 U2 7 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 SEP 1 PY 2005 VL 344 IS 1-3 BP 213 EP 218 DI 10.1016/j.nucmat.2005.04.044 PG 6 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 961FY UT WOS:000231648500040 ER PT J AU Fowler, JS Logan, J Wang, GJ Volkow, ND Telang, F Zhu, W Franceschi, D Shea, C Garza, V Xu, YW Ding, YS Alexoff, D Warner, D Netusil, N Carter, P Jayne, M King, P Vaska, P AF Fowler, JS Logan, J Wang, GJ Volkow, ND Telang, F Zhu, W Franceschi, D Shea, C Garza, V Xu, YW Ding, YS Alexoff, D Warner, D Netusil, N Carter, P Jayne, M King, P Vaska, P TI Comparison of monoamine oxidase a in peripheral organs in nonsmokers and smokers SO JOURNAL OF NUCLEAR MEDICINE LA English DT Article DE PET; cigarette smoke; monoamine oxidase; lung; arterial plasma ID CIGARETTE-SMOKING; BRAIN; INHIBITION; NICOTINE; BINDING; METABOLISM; ARTERIAL; HUMANS; NEUROTRANSMISSION; NOREPINEPHRINE AB Smokers have reduced levels of brain monoamine oxidase A (MAO A) leading to speculation that MAO A inhibition by tobacco smoke may underlie some of the neurophysiologic effects of smoking. Because smoking exposes peripheral organs as well as the brain to MAO A-inhibitory compounds, we determined whether smokers would also have reduced MAO A in peripheral organs. Methods: We measured MAO A in peripheral organs in a group of 9 smokers and compared it with a group of nonsmokers studied previously. MAO A was measured using PET and serial scans with the MAO A-specific radiotracers C-11-clorgyline and deuterium-substituted C-11-clorgyline (C-11-clorgyline-D2) using the deuterium isotope effect to assess binding specificity. The time course of radiotracer in the arterial plasma was also measured and data from the tissue timeactivity curves and the arterial input function were analyzed using a 3-compartment model to estimate k(3), which represents the rate-limiting step for the irreversible binding of labeled clorgyline to MAO A. Results: Tracer uptake at plateau was reduced with deuterium substitution for the heart, lungs, and kidneys, indicating specificity for MAO. There was no difference in organ uptake at plateau between nonsmokers and smokers though, for the smokers, the efflux of tracer from peak uptake to plateau was slower for the lungs. The area under the time- activity curve for the arterial plasma was also significantly reduced for smokers versus nonsmokers and the reduction occurred in the first few minutes after radiotracer injection. Smokers had an similar to 50% reduction in k3 when compared with nonsmokers; however, k3 did not differ for nonsmokers and smokers for the heart and the kidneys. Conclusion: Because MAO A breaks down serotonin, norepinephrine, dopamine, and tyramine, and because the lung is a major metabolic organ in degrading some of these substances, reduced lung MAO A may contribute to some of the physiologic effects of smoking. This study also revealed that the concentration of the radictracers in the arterial plasma is significantly lower for the smoker versus the nonsmoker and that this appears to be caused in part by retention of the radiotracer in lungs. If this is generally true for other substances that are administered intravenously, then this needs to be considered as a variable that may contribute to different short-term behavioral responses to intravenously administered drugs for nonsmokers versus smokers. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. Natl Inst Drug Abuse, Bethesda, MD USA. SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA. SUNY Stony Brook, Dept Radiol, Stony Brook, NY 11794 USA. RP Fowler, JS (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM fowler@bnl.gov FU NCRR NIH HHS [M01RR10710]; NIBIB NIH HHS [EB002630]; NIDA NIH HHS [DA7092-01] NR 36 TC 21 Z9 24 U1 0 U2 1 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 J9 J NUCL MED JI J. Nucl. Med. PD SEP PY 2005 VL 46 IS 9 BP 1414 EP 1420 PG 7 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA 962GZ UT WOS:000231720300008 PM 16157522 ER PT J AU Boyer, WF Hura, GS AF Boyer, WF Hura, GS TI Non-evolutionary algorithm for scheduling dependent tasks in distributed heterogeneous computing environments SO JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING LA English DT Article DE distributed heterogeneous computing; matching and scheduling; heterogeneous processing; dependent task scheduling ID GENETIC-ALGORITHM; MULTIPROCESSORS; PERFORMANCE; SYSTEMS; GRAPHS AB The Problem of obtaining an optimal matching and scheduling of interdependent tasks in distributed heterogeneous computing (DHC) environments is well known to be an NP-hard problem. In a DHC system, task execution time is dependent on the machine to which it is assigned and task precedence constraints are represented by a directed acyclic graph. Recent research in evolutionary techniques has shown that genetic algorithms usually obtain more efficient schedules that other known algorithms. We propose a non-evolutionary random scheduling (RS) algorithm for efficient matching and scheduling of inter-dependent tasks in a DHC system. RS is a succession of randomized task orderings and a heuristic mapping from task order to schedule. Randomized task ordering is effectively a topological sort where the outcome may be any possible task order for which the task precedent constraints are maintained. A detailed comparison to existing evolutionary techniques (GA and PSGA) shows the proposed algorithm is less complex than evolutionary techniques, computes schedules in less time, requires less memory and fewer tuning parameters. Simulation results show that the average schedules produced by RS are approximately as efficient as PSGA schedules for all cases studied and clearly more efficient than PSGA for certain cases. The standard formulation for the scheduling problem addressed in this paper is Rm vertical bar prec vertical bar C-max., (c) 2005 Elsevier Inc. All rights reserved. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. W Virginia Univ, Inst Technol, Montgomery, WV 25136 USA. RP Boyer, WF (reprint author), Idaho Natl Lab, 2525 N Freemont, Idaho Falls, ID 83415 USA. EM wfboyer@gmail.com; gshura@mail.wvu.edu NR 17 TC 23 Z9 27 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 0743-7315 J9 J PARALLEL DISTR COM JI J. Parallel Distrib. Comput. PD SEP PY 2005 VL 65 IS 9 BP 1035 EP 1046 DI 10.1016/j.jpdc.2005.04.017 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA 959KK UT WOS:000231516400005 ER PT J AU Pan, DH Hu, DH Lu, HP AF Pan, DH Hu, DH Lu, HP TI Probing inhomogeneous vibrational reorganization energy barriers of interfacial electron transfer SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID RESONANCE RAMAN-SPECTROSCOPY; ATOMIC-FORCE MICROSCOPY; NEAR-FIELD; OPTICAL MICROSCOPY; COLLOIDAL SYSTEMS; CHARGE-TRANSFER; DYE MOLECULES; DYNAMICS; TIP; TIO2 AB An atomic force microscopy (AFM) and confocal Raman microscopy Study of the interfacial electron transfer of a dye-sensitization system, i.e., alizarin adsorbed upon TiO2, nanoparticles. has revealed the distribution of the mode-specific vibrational reorganization energies encompassing different local sites (similar to 250-nm spatial resolution). Our experimental results suggest inhomogeneous vibrational reorganization energy barriers and different Franck-Condon coupling factors of the interfacial electron transfer. The total vibrational reorganization energy was inhomogeneous from site to site, specifically, mode-specific analyses indicated that energy distributions were inhomogeneous for bridging normal modes and less inhomogeneous or homogeneous for nonbridging normal modes, especially for modes far away from the alizarin-TiO2 coupling hydroxyl modes. The results demonstrate a significant step forward in characterizing site-specific inhomogeneous interfacial charge-transfer dynamics. C1 Pacific NW Natl Lab, Fundamental Sci Div, Richland, WA 99352 USA. RP Lu, HP (reprint author), Pacific NW Natl Lab, Fundamental Sci Div, Richland, WA 99352 USA. EM peter.lu@pnl.gov RI Hu, Dehong/B-4650-2010 OI Hu, Dehong/0000-0002-3974-2963 NR 46 TC 27 Z9 27 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD SEP 1 PY 2005 VL 109 IS 34 BP 16390 EP 16395 DI 10.1021/jp058043v PG 6 WC Chemistry, Physical SC Chemistry GA 959DQ UT WOS:000231497500023 PM 16853083 ER PT J AU Cannon, WR Jarman, KH Webb-Robertson, BJM Baxter, DJ Oehmen, CS Jarman, KD Heredia-Langner, A Auberry, KJ Anderson, GA AF Cannon, WR Jarman, KH Webb-Robertson, BJM Baxter, DJ Oehmen, CS Jarman, KD Heredia-Langner, A Auberry, KJ Anderson, GA TI Comparison of probability and likelihood models for peptide identification from tandem mass spectrometry data SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE tandem mass spectrometry; peptide identification; fragmentation model; likelihood; hypothesis test; support vector machine ID VECTOR MACHINE CLASSIFICATION; PROTEIN IDENTIFICATION; SEQUENCE DATABASES; SPECTRAL DATA; TRYPTIC PEPTIDES; GLOBAL ANALYSIS; PROTEOMICS; VALIDATION; ALGORITHM; TAGS AB We evaluate statistical models used in two-hypothesis tests for identifying peptides from tandem mass spectrometry data. The null hypothesis Ho, that a peptide matches a spectrum by chance, requires information on the probability of by-chance matches between peptide fragments and peaks in the spectrum. Likewise, the alternate hypothesis HA, that the spectrum is due to a particular peptide, requires probabilities that the peptide fragments would indeed be observed if it was the causative agent. We compare models for these probabilities by determining the identification rates produced by the models using an independent data set. The initial models use different probabilities depending on fragment ion type, but uniform probabilities for each ion type across all of the labile bonds along the backbone. More sophisticated models for probabilities under both HA and Ho are introduced that do not assume uniform probabilities for each ion type. In addition, the performance of these models using a standard likelihood model is compared to an information theory approach derived from the likelihood model. Also, a simple but effective model for incorporating peak intensities is described. Finally, a support vector machine is used to discriminate between correct and incorrect identifications based on multiple characteristics of the scoring functions. The results are shown to reduce the misidentification rate significantly when compared to a benchmark cross-correlation based approach. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Cannon, WR (reprint author), POB 999-MS K5-12, Richland, WA 99352 USA. EM william.cannon@pnl.gov; kristin.jarman@pnl.gov RI Jarman, Kenneth/B-6157-2011; Cannon, William/K-8411-2014 OI Jarman, Kenneth/0000-0002-4396-9212; Cannon, William/0000-0003-3789-7889 NR 36 TC 22 Z9 23 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 J9 J PROTEOME RES JI J. Proteome Res. PD SEP-OCT PY 2005 VL 4 IS 5 BP 1687 EP 1698 DI 10.1021/pr050147v PG 12 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 974GK UT WOS:000232579100031 PM 16212422 ER PT J AU Turney, C Baillie, M Clemens, S Brown, D Palmer, J Pilcher, J Reimer, P Leuschner, HH AF Turney, C Baillie, M Clemens, S Brown, D Palmer, J Pilcher, J Reimer, P Leuschner, HH TI Testing solar forcing of pervasive Holocene climate cycles SO JOURNAL OF QUATERNARY SCIENCE LA English DT Article DE Irish bog oak and pine; radiocarbon production rate; North Atlantic thermolhaline circulation; millennial-scale climate change; Lough Neagh ID NORTH-ATLANTIC CLIMATE; ICE-CORE; GREENLAND ICE; PINUS-SYLVESTRIS; COLD EVENT; C-14 AGES; WESTERN; RECORD; VARIABILITY; ICELAND AB The temporal and spatial extent of Holocene climate change is an area of considerable uncertainty, with solar forcing recently proposed to be the origin of cycles identified in the North Atlantic region. To address these issues we have developed an annually resolved record of changes in Irish bog tree Populations over the last 7468 years which, together with radiocarbon-dated bog and lake-edge populations, extend the dataset back to similar to 9000yr ago. The Irish trees underpin the internationally accepted radiocarbon calibration Curve, used to derive a proxy of solar activity, and allow us to test solar forcing of Holocene climate change. Tree populations and age structures provide unambiguous evidence of major shifts in Holocene Surface Moisture, with a dominant cyclicity of 800yr, similar to marine cycles in the North Atlantic, indicating significant changes in the latitude and intensity of zonal atmospheric circulation across the region. The cycles, however, are not coherent with changes in solar activity (both being on the same absolute timescale), indicating that Holocene North Atlantic climate variability at the millennial and centennial scale is not driven by a linear response to changes in solar activity. Copyright (c) 2005 John Wiley & Sons, Ltd. C1 Univ Wollongong, GeoQuEST Res Ctr, Sch Earth & Environm Sci, Wollongong, NSW 2522, Australia. Queens Univ Belfast, Palaeoecol Ctr, Sch Archaeol & Palaeoecol, Belfast BT7 1NN, Antrim, North Ireland. Brown Univ, Providence, RI 02912 USA. Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry L 397, Livermore, CA 94550 USA. Univ Gottingen, Lab Dendrochronol & Dendroclimatol, Subdept Palynol & Quaternary Sci, D-37075 Gottingen, Germany. RP Turney, C (reprint author), Univ Wollongong, GeoQuEST Res Ctr, Sch Earth & Environm Sci, Wollongong, NSW 2522, Australia. EM turney@uow.edu.au RI Reimer, Paula/I-5915-2015; Palmer, Jonathan/J-7834-2012; OI Palmer, Jonathan/0000-0002-6665-4483; Turney, Chris/0000-0001-6733-0993 NR 50 TC 52 Z9 52 U1 0 U2 6 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0267-8179 J9 J QUATERNARY SCI JI J. Quat. Sci. PD SEP PY 2005 VL 20 IS 6 BP 511 EP 518 DI 10.1002/jqs.927 PG 8 WC Geosciences, Multidisciplinary; Paleontology SC Geology; Paleontology GA 969DF UT WOS:000232212900001 ER PT J AU Schieber, J Riciput, L AF Schieber, J Riciput, L TI Pyrite and marcasite coated grains in the Ordovician Winnipeg Formation, Canada: An intertwined record of surface conditions, stratigraphic condensation, geochemical "rieworking," and microbial activity SO JOURNAL OF SEDIMENTARY RESEARCH LA English DT Article ID REACTIONS FORMING PYRITE; SEDIMENTARY PYRITE; 100-DEGREES-C; SULFUR; OXIDATION; ISOTOPES; SEAWATER; MATRIX; OXYGEN; ROCKS AB Sulfide-coated grains are enigmatic sedimentary particles that occur in sediments ranging in age from Archean to Jurassic. Although their oolitic and pisoidal texture suggests energetic and agitated conditions, their mineralogy seems to require a reducing and stagnant environment. Because of this conflict, they have long been considered diagenetic replacements of precursor iron oxide, chamosite, or carbonate ooids. Coated iron sulfide (CIS) grains from the Ordovician Winnipeg Formation of Saskatchewan, Canada, formed as primary diagenetic precipitates under shallow burial conditions, involving intermittent episodes of tractional reworking, grain abrasion, reburial, and precipitation of further concentric laminae. These iron sulfide grains are found in shallow marine sandstones with indications of episodic wave reworking, and indicate sufficient organic-matter burial to promote reducing pore waters and iron sulfide formation. Horizons with strong enrichment of iron sulfide grains (up to 40%) indicate negative net sedimentation to facilitate geochemical "reworking" of iron. CIS grains formed during intervals; of maximum sediment starvation, when organic matter was enriched in surface sediments, and rare storm waves intermittently reworked the surface sediment. Alternating laminae of pyrite and marcasite within these grains point to substantial fluctuations in pore-water pH, driven by intermittent oxidation of previously formed iron sulfides. Filamentous and coccoid structures within cortical laminae suggest microbial involvement in lamina formation through providing a growth medium for sulfate-reducing bacteria and potentially a template for mineral growth. Coated iron sulfide grains of the Winnipeg Formation preserve a combined record of condensation, seafloor reworking, fluctuating chemical conditions in the surface sediment, and high surface productivity. This information-rich record is made even more valuable by the fact that the host sediment consists largely of heavily bioturbated monotonous sandstones that could not provide these insights on their own merit. C1 Indiana Univ, Dept Geol Sci, Bloomington, IN 47405 USA. Oak Ridge Natl Lab, Chem & Anal Serv Div, Oak Ridge, TN 37831 USA. RP Schieber, J (reprint author), Indiana Univ, Dept Geol Sci, Bloomington, IN 47405 USA. RI Schieber, Juergen Schieber/A-3001-2013 NR 48 TC 11 Z9 12 U1 1 U2 13 PU SEPM-SOC SEDIMENTARY GEOLOGY PI TULSA PA 6128 EAST 38TH ST, STE 308, TULSA, OK 74135-5814 USA SN 1527-1404 J9 J SEDIMENT RES JI J. Sediment. Res. PD SEP PY 2005 VL 75 IS 5 BP 907 EP 920 DI 10.2110/jsr.2005.070 PG 14 WC Geology SC Geology GA 977DA UT WOS:000232781400010 ER PT J AU Stump, MJ Black, G Fox, A Fox, KF Turick, CE Matthews, M AF Stump, MJ Black, G Fox, A Fox, KF Turick, CE Matthews, M TI Identification of marker proteins for Bacillus anthracis using MALDI-TOF IVIS and ion trap MS/MS after direct extraction or electrophoretic separation SO JOURNAL OF SEPARATION SCIENCE LA English DT Review DE anthrax; glycoprotein; matrix assisted laser desorption/ionization mass spectrometry; review; small acid-soluble spore proteins (SASPs) ID ASSISTED-LASER-DESORPTION/IONIZATION; FLIGHT MASS-SPECTROMETRY; COLLAGEN-LIKE REGION; RAPID IDENTIFICATION; GENOME SEQUENCE; WHOLE CELLS; BACTERIA; GLYCOPROTEIN; EXOSPORIUM; SPORE AB Direct extraction of bacterial vegetative cells or spores followed by matrix-assisted laser desorption ionization/time of flight mass spectrometry (MALDI TOF MS) has become popular for bacterial identification, since it is simple to perform and mass spectra are readily interpreted. However, only high-abundance proteins that are of low mass and ionize readily are observed. In the case of B. anthracis spores, small acid-soluble spore proteins (SASPs) have been the most widely studied. Additional information can be obtained using tandem mass spectrometry (MS-MS) to confirm the identity of proteins by sequencing. This is most readily accomplished using ion trap (IT) MS-MS. However, enzymatic digestion of these proteins is needed to generate peptides that are within the mass range of the ion trap. The use of sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE), or other forms of electrophoresis, allows one to focus on specific proteins of interest (e.g. the high mass exosporiurn glycoproteins BclA and BclB) that provide additional species- and strain-specific discrimination. C1 Univ S Carolina, Dept Pathol & Microbiol, Columbia, SC 29208 USA. Univ S Carolina, Dept Chem Engn, Columbia, SC 29208 USA. MassTech Inc, Columbia, MD USA. Environm Biotechnol Savannah River Natl Lab, Aiken, SC USA. RP Fox, A (reprint author), 6992 Columbia Gateway Dr,Suite 200, Columbia, MD 21046 USA. EM afox@med.sc.edu FU NIAID NIH HHS [1R21 AI05943]; PHS HHS [R01 B0055201] NR 38 TC 12 Z9 12 U1 0 U2 12 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1615-9306 J9 J SEP SCI JI J. Sep. Sci. PD SEP PY 2005 VL 28 IS 14 BP 1642 EP 1647 DI 10.1002/jssc.200500143 PG 6 WC Chemistry, Analytical SC Chemistry GA 970EQ UT WOS:000232288400004 PM 16224957 ER PT J AU Orosel, D Balog, P Liu, H Qian, J Jansen, M AF Orosel, D Balog, P Liu, H Qian, J Jansen, M TI Sb2O4 at high pressures and high temperatures SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE antimony oxide; phase stability; high pressure; high temperature ID CRYSTAL-STRUCTURE; NEUTRON-DIFFRACTION; BETA-SB2O4; POLYMORPH AB Investigations on Sb2O4 at high pressure and temperature have been performed up to 600 degrees C and up to 27.3 GPa. The so-called "high temperature" phase (beta-Sb2O4) was obtained following pressure increase at ambient temperature and at relatively low temperatures. Thus, in contrast to previous perceptions, beta-Sb2O4 is the modification more stable at high pressures, i.e., at low temperatures. The fact that the metastable alpha-form is typically obtained through the conventional way of preparation has to be attributed to kinetic effects. The pressure-induced phase transitions have been monitored by in-situ X-ray diffraction in a diamond anvil cell, and confirmed ex-situ, by X-ray diffraction at ambient conditions, following temperature decrease and decompression in large volume devices. Bulk modulus values have been derived from the press ure-induced volume changes at room temperature, and are 143 GPa for alpha-Sb2O4 and 105 GPa for the beta-Sb2O4. (c) 2005 Elsevier Inc. All rights reserved. C1 Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Jansen, M (reprint author), Max Planck Inst Solid State Res, Heisenbergstr 1, D-70569 Stuttgart, Germany. EM m.jansen@fkf.mpg.de RI Liu, Haozhe/E-6169-2011 NR 22 TC 21 Z9 21 U1 1 U2 9 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-4596 J9 J SOLID STATE CHEM JI J. Solid State Chem. PD SEP PY 2005 VL 178 IS 9 BP 2602 EP 2607 DI 10.1016/j.jssc.2005.05.037 PG 6 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA 962WB UT WOS:000231762700004 ER PT J AU Chen, YS Fulton, JL Partenheimer, W AF Chen, YS Fulton, JL Partenheimer, W TI A XANES and EXAFS study of hydration and ion pairing in ambient aqueous MnBr2 solutions SO JOURNAL OF SOLUTION CHEMISTRY LA English DT Article DE XANES; EXAFS; manganese bromide; aqueous solution; hydration structure ID ABSORPTION FINE-STRUCTURE; MANGANESE BROMIDE TETRAHYDRATE; X-RAY-DIFFRACTION; SUPERCRITICAL WATER; MOLECULAR-DYNAMICS; COORDINATION STRUCTURE; CRYSTAL-STRUCTURE; ACETATE TETRAHYDRATE; SOLVATION STRUCTURES; NEUTRON-DIFFRACTION AB Extended X-ray absorption fine structure (EXAFS) and X-ray absorption near edge structure (XANES) spectroscopies were used to probe the first-shell coordination structure of Mn(II) in aqueous MnBr2 solutions at ambient conditions from very dilute to the near saturation limit. The Mn K-edge EXAFS spectra for 0.05 and 0.2 m solutions showed that there was no Br(-I) in the first shell, and that the Mn(II) was fully hydrated with six water molecules in an octahedral arrangement. In contrast, for 6 m solution, the coordination number of water was reduced to about 5, and an average of about one bromine atom was present in the first shell as a contact ion pair. The 1s --> 4p transition at 6545.5 eV confirmed the observation of Mn-Br contact ion pairs at high concentrations and the 1s --> 3d transition at 6539.5 eV showed that the first shell coordination symmetry remained octahedral even in the presence of Mn-Br ion pairs. C1 Pacific NW Natl Lab, Fundamental Sci Div, Richland, WA 99352 USA. DuPont Co Inc, Cent Res & Dev, Expt Stn, Wilmington, DE 19880 USA. RP Chen, YS (reprint author), Pacific NW Natl Lab, Fundamental Sci Div, Richland, WA 99352 USA. EM john.fulton@pnl.gov RI Chen, Yongsheng/P-4800-2014 NR 45 TC 20 Z9 20 U1 2 U2 20 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0095-9782 J9 J SOLUTION CHEM JI J. Solut. Chem. PD SEP PY 2005 VL 34 IS 9 BP 993 EP 1007 DI 10.1007/s10953-005-6986-4 PG 15 WC Chemistry, Physical SC Chemistry GA 971SA UT WOS:000232403600001 ER PT J AU Sengers, JL Palmer, DA Marshall, WL AF Sengers, JL Palmer, DA Marshall, WL TI Obituary: Tribute to E. Ulrich Franck (1920-2004) SO JOURNAL OF SOLUTION CHEMISTRY LA English DT Biographical-Item C1 Natl Inst Stand & Technol, NIST Phys Lab, Gaithersburg, MD 20899 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Sengers, JL (reprint author), Natl Inst Stand & Technol, NIST Phys Lab, Gaithersburg, MD 20899 USA. NR 2 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0095-9782 J9 J SOLUTION CHEM JI J. Solut. Chem. PD SEP PY 2005 VL 34 IS 9 BP 1091 EP 1094 DI 10.1007/s10953-005-8040-y PG 4 WC Chemistry, Physical SC Chemistry GA 971SA UT WOS:000232403600008 ER PT J AU Lu, WY Antoun, BR Korellis, JS Scheffel, S Lee, MY Hardy, RD Costin, LS AF Lu, WY Antoun, BR Korellis, JS Scheffel, S Lee, MY Hardy, RD Costin, LS TI Material characterization of shuttle thermal protection system for impact analyses SO JOURNAL OF SPACECRAFT AND ROCKETS LA English DT Article; Proceedings Paper CT AIAA 42nd Aerospace Sciences Meeting and Exhibit CY JAN 05-08, 2004 CL Reno, NV SP Amer Inst Aeronaut & Astronaut AB The purpose of this work was to obtain the mechanical behavior of the materials involved in the modeling of the foam impact scenario for the Space Shuttle Columbia accident investigation. The shuttle thermal protection system uses several advanced materials, including the reinforced carbon-carbon (RCC) and the high-temperature reusable surface insulation tiles (HRSI) characterized in this study. Experiments were designed to provide the modeling parameters of HRSI tiles and RCC, as well as to give insight into the failure phenomena under different loading conditions. For each material, the results are presented as a function of orientation and applied strain rate. The effect of prior flights on the RCC material properties is also discussed. C1 Sandia Natl Labs, Livermore, CA 94551 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Lu, WY (reprint author), Sandia Natl Labs, Mail Stop 9049, Livermore, CA 94551 USA. NR 5 TC 3 Z9 5 U1 3 U2 14 PU AMER INST AERONAUT ASTRONAUT PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091-4344 USA SN 0022-4650 J9 J SPACECRAFT ROCKETS JI J. Spacecr. Rockets PD SEP-OCT PY 2005 VL 42 IS 5 BP 795 EP 803 DI 10.2514/1.9118 PG 9 WC Engineering, Aerospace SC Engineering GA 973LF UT WOS:000232523400004 ER PT J AU Parise, JB Antao, SM Michel, FM Martin, CD Chupas, PJ Shastri, SD Lee, PL AF Parise, JB Antao, SM Michel, FM Martin, CD Chupas, PJ Shastri, SD Lee, PL TI Quantitative high-pressure pair distribution function analysis SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article; Proceedings Paper CT International Workshop on Structure Determination by Single-Crystal X-ray Diffraction (SXD) at Megabar Pressures CY NOV 13-14, 2004 CL Argonne Natl Lab, Chicago, IL SP Consortium Mat Properties Res Earth Sci HO Argonne Natl Lab DE high pressure; diffraction; pair distribution function; nano-crystalline materials; diamond anvil cell; perforated diamonds ID X-RAY-DIFFRACTION; INDUCED PHASE-TRANSFORMATIONS; AMORPHOUS MATERIALS; ANVIL CELL; REFINEMENT; TRANSITION AB The collection of scattering data at high pressure and temperature is now relatively straightforward thanks to developments at high-brightness synchrotron radiation facilities. Reliable data from powders, that are suitable for structure determination and Rietveld refinement, are routinely collected up to about 30 GPa in either a large-volume high-pressure apparatus or diamond anvil cell. In those cases where the total elastic scattering is of interest, as it is in the case of nano-crystalline and glassy materials, technical developments, including the use of focused high-energy X-rays (> 80 keV), are advantageous. Recently completed experiments on nano-crystalline materials at the 1-ID beamline at the Advanced Photon Source suggest that quantitative data, suitable for pair distribution function analysis, can be obtained. C1 CEMS, Ctr Environm Mol Sci, Stony Brook, NY 11794 USA. SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Argonne Natl Lab, Adv Photon Source, XOR, Argonne, IL 60439 USA. RP CEMS, Ctr Environm Mol Sci, Stony Brook, NY 11794 USA. EM john.parise@stonybrook.edu NR 36 TC 13 Z9 13 U1 0 U2 11 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 1600-5775 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD SEP PY 2005 VL 12 BP 554 EP 559 DI 10.1107/S0909049505022612 PN 5 PG 6 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA 955QY UT WOS:000231243100003 PM 16120977 ER PT J AU Jacobsen, SD Lin, JF Angel, RJ Shen, GY Prakapenka, VB Dera, P Mao, HK Hemley, RJ AF Jacobsen, SD Lin, JF Angel, RJ Shen, GY Prakapenka, VB Dera, P Mao, HK Hemley, RJ TI Single-crystal synchrotron X-ray diffraction study of wustite and magnesiowustite at lower-mantle pressures SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article; Proceedings Paper CT International Workshop on Structure Determination by Single-Crystal X-ray Diffraction (SXD) at Megabar Pressures CY NOV 13-14, 2004 CL Argonne Natl Lab, Chicago, IL SP Consortium Mat Properties Res Earth Sci HO Argonne Natl Lab DE single-crystal X-ray diffraction; megabar; zone-axis diffraction; diamond-anvil cell; wustite; magnesiowustite; helium pressure medium; equation of state ID DIAMOND-ANVIL CELL; STATIC COMPRESSION; MAGNESIUM-OXIDE; GPA; TEMPERATURE; EQUATION; PHASE; ELASTICITY; (MG,FE)O; TRANSITION AB This study demonstrates the use of monochromatic synchrotron X-ray radiation of 40 keV for high-precision equation-of-state studies on sets of single crystals analysed individually in the same diamond-anvil pressure cell. Angle-dispersive zone-axis diffraction patterns were obtained from crystals of wustite-Fe0.93O and magnesiowulstite-(Mg0.73Fe0.27) O to 51 GPa in a hydrostatic helium pressure medium. The rhombohedral phase of Fe0.93O was observed above 23 GPa, and its isothermal bulk modulus (K-0) was determined to be 134 (+/- 4) GPa, assuming K' = 4. The rhombohedral phase of Fe0.93O is more compressible than B1-structured Fe0.93O, with K-0 = 146 (+/- 2) GPa. Magnesiowustite-(Mg0.73Fe0.27) O remains cubic over the experimental pressure range, and has a bulk modulus of 154 ( +/- 3) GPa with K' = 4.0 (+/- 0.1). C1 Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Virginia Polytech Inst & State Univ, Dept Geosci, Blacksburg, VA 24061 USA. Univ Chicago, Consortium Adv Radiat Sources, Chicago, IL 60637 USA. RP Jacobsen, SD (reprint author), Carnegie Inst Washington, Geophys Lab, 5251 Broad Branch Rd NW, Washington, DC 20015 USA. EM s.jacobsen@gl.ciw.edu RI Lin, Jung-Fu/B-4917-2011; Shen, Guoyin/D-6527-2011; Dera, Przemyslaw/F-6483-2013; Jacobsen, Steven/F-3443-2013; Angel, Ross/K-9924-2015 OI Jacobsen, Steven/0000-0002-9746-958X; Angel, Ross/0000-0003-0861-398X NR 38 TC 22 Z9 23 U1 1 U2 17 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0909-0495 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD SEP PY 2005 VL 12 BP 577 EP 583 DI 10.1107/S0909049505022326 PN 5 PG 7 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA 955QY UT WOS:000231243100006 PM 16120980 ER PT J AU Ice, GE Dera, P Liu, WJ Mao, HK AF Ice, GE Dera, P Liu, WJ Mao, HK TI Adapting polychromatic X-ray microdiffraction techniques to high-pressure research: energy scan approach SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article; Proceedings Paper CT International Workshop on Structure Determination by Single-Crystal X-ray Diffraction (SXD) at Megabar Pressures CY NOV 13-14, 2004 CL Argonne Natl Lab, Chicago, IL SP Consortium Mat Properties Res Earth Sci HO Argonne Natl Lab DE Laue diffraction; high pressure; structure determination ID LAUE DIFFRACTION SPOTS; UNIT-CELL PARAMETERS; REFLECTION INTENSITIES; SYNCHROTRON-RADIATION; WAVELENGTH-NORMALIZATION; SINGLE-CRYSTALS; CRYSTALLOGRAPHY; COMPONENTS; GPA; IDENTIFICATION AB Polychromatic single-crystal diffraction (pSXD) offers important advantages compared with monochromatic diffraction, such as ultrafast data collection and the ability to collect diffraction data without sample rotation. Despite the relevance of these advantages for applications in high-pressure experiments, pSXD has never been successfully applied for full structure determination at high pressure. Here the theory of polychromatic microdiffraction, strategies developed to adapt it to high-pressure applications, and results of pilot experiments are described. Special emphasis is placed on experiments with microcrystals and multigrain aggregates, and on the use of monochromator scans to extend the pressure range for single-crystal structure determination to the megabar region. Closely related applications to materials research problems are also discussed. C1 Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Argonne Natl Lab, Adv Photon Source, UNICAT, Argonne, IL 60439 USA. RP Dera, P (reprint author), Carnegie Inst Washington, Geophys Lab, 5251 Broad Branch Rd NW, Washington, DC 20015 USA. EM p.dera@gl.ciw.edu RI Dera, Przemyslaw/F-6483-2013 NR 49 TC 13 Z9 13 U1 0 U2 3 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0909-0495 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD SEP PY 2005 VL 12 BP 608 EP 617 DI 10.1107/S0909049505024684 PN 5 PG 10 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA 955QY UT WOS:000231243100010 PM 16120984 ER PT J AU Clark, SM Jeanloz, R AF Clark, SM Jeanloz, R TI A new paradigm to extend diffraction measurements beyond the megabar regime SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article; Proceedings Paper CT International Workshop on Structure Determination by Single-Crystal X-ray Diffraction (SXD) at Megabar Pressures CY NOV 13-14, 2004 CL Argonne Natl Lab, Chicago, IL SP Consortium Mat Properties Res Earth Sci HO Argonne Natl Lab DE high pressure; shock waves; time-resolved X-ray diffraction; X-ray free-electron lasers ID X-RAY-DIFFRACTION; SHOCK-WAVE COMPRESSION; FEMTOSECOND LASER; GENERATION; RADIATION; CRYSTALS; PLASMAS AB The possibility of using X-ray diffraction to precisely monitor crystal structure at the extremes of pressure and temperature produced by shock-wave loading is explored. A summary of the advantages of using various X-ray sources for this work and an outline of the necessary experimental layout is given. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Clark, SM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, 1 Cyclotron Rd,MS6R2100, Berkeley, CA 94720 USA. EM smclark@lbl.gov RI Clark, Simon/B-2041-2013 OI Clark, Simon/0000-0002-7488-3438 NR 24 TC 1 Z9 1 U1 1 U2 3 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0909-0495 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD SEP PY 2005 VL 12 BP 632 EP 636 DI 10.1107/S0909049505021084 PN 5 PG 5 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA 955QY UT WOS:000231243100013 PM 16120987 ER PT J AU Lin, JF Struzhkin, VV Jacobsen, SD Shen, GY Prakapenka, VB Mao, HK Hemley, RJ AF Lin, JF Struzhkin, VV Jacobsen, SD Shen, GY Prakapenka, VB Mao, HK Hemley, RJ TI X-ray emission spectroscopy with a laser-heated diamond anvil cell: a new experimental probe of the spin state of iron in the Earth's interior SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article; Proceedings Paper CT International Workshop on Structure Determination by Single-Crystal X-ray Diffraction (SXD) at Megabar Pressures CY NOV 13-14, 2004 CL Argonne Natl Lab, Chicago, IL SP Consortium Mat Properties Res Earth Sci HO Argonne Natl Lab DE X-ray emission spectroscopy; laser-heated diamond cell; electronic spin state; magnesiowustite; high pressure ID HIGH-PRESSURE; LOWER MANTLE; RAMAN-SPECTROSCOPY; TRANSITION; TEMPERATURE; ALPHA; MAGNESIOWUSTITE; PEROVSKITE; OXIDES; CERIUM AB Synchrotron-based X-ray emission spectroscopy (XES) is well suited to probing the local electronic structure of 3d transition metals such as Fe and Mn in their host phases. The laser-heated diamond anvil cell technique is uniquely capable of generating ultra-high static pressures and temperatures in excess of 100 GPa and 3000 K. Here X-ray emission spectroscopy and X-ray diffraction have been interfaced with the laser-heated diamond cell for studying the electronic spin states of iron in magnesiowustite-(Mg-0.75, Fe-0.25) O and its crystal structure under lower-mantle conditions. X-ray emission spectra of the ferrous iron in a single crystal of magnesiowustite-(Mg-0.75, Fe-0.25) O indicate that a high-spin to low-spin transition of ferrous iron occurs at 54 to 67 GPa and 300 K and the ferrous iron remains in the high-spin state up to 47 GPa and 1300 K. This pilot study points to the unique capability of the synchrotron-based XES and X-ray diffraction techniques for addressing the issue of electronic spin transition or crossover in 3d transition metals and compounds under extreme high-P-T conditions. C1 Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA. Univ Chicago, Consortium Adv Radiat Sources, Chicago, IL 60637 USA. RP Lin, JF (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM j.lin@gl.ciw.edu RI Lin, Jung-Fu/B-4917-2011; Shen, Guoyin/D-6527-2011; Struzhkin, Viktor/J-9847-2013; Jacobsen, Steven/F-3443-2013 OI Struzhkin, Viktor/0000-0002-3468-0548; Jacobsen, Steven/0000-0002-9746-958X NR 34 TC 11 Z9 11 U1 0 U2 6 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0909-0495 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD SEP PY 2005 VL 12 BP 637 EP 641 DI 10.1107/S0909049505020741 PN 5 PG 5 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA 955QY UT WOS:000231243100014 PM 16120988 ER PT J AU Kunz, M MacDowell, AA Caldwell, WA Cambie, D Celestre, RS Domning, EE Duarte, RM Gleason, AE Glossinger, JM Kelez, N Plate, DW Yu, T Zaug, JM Padmore, HA Jeanloz, R Alivisatos, AP Clark, SM AF Kunz, M MacDowell, AA Caldwell, WA Cambie, D Celestre, RS Domning, EE Duarte, RM Gleason, AE Glossinger, JM Kelez, N Plate, DW Yu, T Zaug, JM Padmore, HA Jeanloz, R Alivisatos, AP Clark, SM TI A beamline for high-pressure studies at the Advanced Light Source with a superconducting bending magnet as the source SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article; Proceedings Paper CT International Workshop on Structure Determination by Single-Crystal X-ray Diffraction (SXD) at Megabar Pressures CY NOV 13-14, 2004 CL Argonne Natl Lab, Chicago, IL SP Consortium Mat Properties Res Earth Sci HO Argonne Natl Lab DE X-ray beamline; high pressure; X-ray diffraction; superbend; diamond anvil cell ID SYNCHROTRON-RADIATION; STATE; NACL; CALIBRATION; EQUATION; SCALE AB A new facility for high-pressure diffraction and spectroscopy using diamond anvil high-pressure cells has been built at the Advanced Light Source on beamline 12.2.2. This beamline benefits from the hard X-radiation generated by a 6 T superconducting bending magnet (superbend). Useful X-ray flux is available between 5 keV and 35 keV. The radiation is transferred from the superbend to the experimental enclosure by the brightness-preserving optics of the beamline. These optics are comprised of a plane parabola collimating mirror, followed by a Kohzu monochromator vessel with Si(111) crystals (E/Delta E similar or equal to 7000) and W/B4C multilayers (E/Delta E similar or equal to 100), and then a toroidal focusing mirror with variable focusing distance. The experimental enclosure contains an automated beam-positioning system, a set of slits, ion chambers, the sample positioning goniometry and area detector (CCD or image-plate detector). Future developments aim at the installation of a second endstation dedicated to in situ laser heating and a dedicated high-pressure single-crystal station, applying both monochromatic and polychromatic techniques. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Kunz, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM mkunz@lbl.gov RI MacDowell, Alastair/K-4211-2012; Kunz, Martin/K-4491-2012; Alivisatos , Paul /N-8863-2015; Clark, Simon/B-2041-2013 OI Kunz, Martin/0000-0001-9769-9900; Alivisatos , Paul /0000-0001-6895-9048; Clark, Simon/0000-0002-7488-3438 NR 23 TC 83 Z9 83 U1 2 U2 21 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0909-0495 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD SEP PY 2005 VL 12 BP 650 EP 658 DI 10.1107/S0909049505020959 PN 5 PG 9 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA 955QY UT WOS:000231243100016 PM 16120990 ER PT J AU Srivastava, RK Hall, RE Khan, S Culligan, K Lani, BW AF Srivastava, RK Hall, RE Khan, S Culligan, K Lani, BW TI Nitrogen oxides emission control options for coal-fired electric utility boilers SO JOURNAL OF THE AIR & WASTE MANAGEMENT ASSOCIATION LA English DT Article ID COMBUSTION AB Recent regulations have required reductions in emissions of nitrogen oxides (NOx) from electric utility boilers. To comply with these regulatory requirements, it is increasingly important to implement state-of-the-art NOx control technologies on coal-fired utility boilers. This paper reviews NOx control options for these boilers. It discusses the established commercial primary and secondary control technologies and examines what is being done to use them more effectively. Furthermore, the paper discusses recent developments in NOx controls. The popular primary control technologies in use in the United States are low-NOx burners and overfire air. Data reflect that average NOx reductions for specific primary controls have ranged from 35% to 63% from 1995 emissions levels. The secondary NOx control technologies applied on U.S. coal-fired utility boilers include reburning, selective noncatalytic reduction (SNCR), and selective catalytic reduction (SCR). Thirty-six U.S. coal-fired utility boilers have installed SNCR, and reported NOx reductions achieved at these applications ranged from 15% to 66%. Recently, SCR has been installed at > 150 U.S. coal-fired utility boilers. Data on the performance of 20 SCR systems operating in the United States with low-NOx emissions reflect that in 2003, these units achieved NOx emission rates between 0.04 and 0.07 lb/10(6) Btu. C1 US EPA, Natl Risk Management Res Lab, Air Pollut Prevent & Control Div, Res Triangle Pk, NC 27711 USA. US EPA, Off Air & Radiat, Clean Air Markets Div, Washington, DC 20460 USA. US DOE, Environm Projects Div, Natl Energy Technol Lab, Pittsburgh, PA USA. RP Srivastava, RK (reprint author), US EPA, Natl Risk Management Res Lab, Air Pollut Prevent & Control Div, Res Triangle Pk, NC 27711 USA. EM srivastava.ravi@epa.gov NR 99 TC 36 Z9 45 U1 3 U2 24 PU AIR & WASTE MANAGEMENT ASSOC PI PITTSBURGH PA ONE GATEWAY CENTER, THIRD FL, PITTSBURGH, PA 15222 USA SN 1047-3289 J9 J AIR WASTE MANAGE JI J. Air Waste Manage. Assoc. PD SEP PY 2005 VL 55 IS 9 BP 1367 EP 1388 PG 22 WC Engineering, Environmental; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 963HN UT WOS:000231794900012 PM 16259432 ER PT J AU Dhamne, A Xu, WX Fookes, BG Fan, Y Zhang, LG Burton, S Hu, JZ Ford, J An, LA AF Dhamne, A Xu, WX Fookes, BG Fan, Y Zhang, LG Burton, S Hu, JZ Ford, J An, LA TI Polymer-ceramic conversion of liquid polyaluminasilazanes for SiAlCN ceramics SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID SILICON-CARBIDE; HIGH-TEMPERATURE; CARBONITRIDE; PRECURSOR; ALUMINUM; MEMS; FABRICATION; COMPOSITES; PYROLYSIS; VISCOSITY AB Liquid-phased polyaluminasilazanes were synthesized by simply reacting a liquid polyureasilazane with aluminum isopropoxide. The reaction was studied by Fourier-transform infrared spectrometry (FTIR) and mass spectroscopy. The resultant polyaluminasilazanes were then pyrolysized to form amorphous SiAlCN ceramics at 1000 degrees C in flowing N-2. The structural evolution during pyrolysis was studied using solid-state NMR and FTIR. Spectral analysis revealed that the amorphous structures of the ceramics consisted Of SiC2N2 and SiCN3 as major building units, small amounts Of SiC3N and SiN4 units, and penta- or hexa-coordinated aluminum with nitrogen. Such units were connected with each other through C-C/C = C bonds or by shearing N to form network structures. The results also revealed that the relative amount of these units strongly depended on the Al content. C1 Univ Cent Florida, Adv Mat Proc & Anal Ctr, Orlando, FL 32816 USA. Univ Cent Florida, Dept Chem, Orlando, FL 32816 USA. Chinese Acad Sci, Changchun Inst Opt Fine Mech & Phys, Lab Excited State Proc, Changchun, Peoples R China. Pacific NW Natl Lab, Richland, WA 99352 USA. RP An, LA (reprint author), Univ Cent Florida, Adv Mat Proc & Anal Ctr, Orlando, FL 32816 USA. EM lan@mail.ucf.edu RI Hu, Jian Zhi/F-7126-2012 NR 37 TC 48 Z9 50 U1 4 U2 11 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0002-7820 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD SEP PY 2005 VL 88 IS 9 BP 2415 EP 2419 DI 10.1111/j.1551-2916.2005.00487.x PG 5 WC Materials Science, Ceramics SC Materials Science GA 961AR UT WOS:000231634800013 ER PT J AU Kim, JY Hardy, JS Weil, KS AF Kim, JY Hardy, JS Weil, KS TI Effects of CuO content on the wetting behavior and mechanical properties of a Ag-CuO braze for ceramic joining SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article; Proceedings Paper CT 105th Annual Meeting of the American-Ceramic-Society CY APR 27-30, 2003 CL NASHVILLE, TN SP Amer Ceram Soc ID ALUMINA; METAL; COPPER; ALLOY AB A silver-based joining technique referred to as reactive air brazing has been recently developed for joining high-temperature structural ceramic components of the type used in gas turbines, combustion engines, heat exchangers, and burners. It was found that additions of copper oxide to silver exhibit a tremendous effect on both the wettability and joint strength characteristics of the subsequent braze relative to polycrystalline alumina substrates. The effect is particularly significant at low copper oxide content, with substantial improvements in wetting observed in the 1-8 mol% range. The corresponding strength of the brazed polycrystalline alumina joints appears to be maximized at a copper oxide content of 8 mol%, with a maximum room temperature flexural strength approaching that of monolithic alumina. While further increases in oxide content lead to improved wetting on polycrystalline alumina, the effect on joint strength is deleterious. It appears that the formation of a continuous brittle copper-based oxide layer along the interface between the braze and alumina faying surface is responsible for the poor mechanical behavior observed in joints fabricated with higher copper oxide content brazes. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Weil, KS (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM scott.weil@pnl.gov RI Hardy, John/E-1938-2016 OI Hardy, John/0000-0002-1699-3196 NR 18 TC 42 Z9 44 U1 1 U2 14 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0002-7820 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD SEP PY 2005 VL 88 IS 9 BP 2521 EP 2527 DI 10.1111/j.1551-2916.2005.00492.x PG 7 WC Materials Science, Ceramics SC Materials Science GA 961AR UT WOS:000231634800032 ER PT J AU Shvartsburg, AA Tang, KQ Smith, RD AF Shvartsburg, AA Tang, KQ Smith, RD TI FAIMS operation for realistic gas flow profile and asymmetric waveforms including electronic noise and ripple SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Article ID ION MOBILITY SPECTROMETRY; MASS-SPECTROMETRY; TRANSPORT-COEFFICIENTS; HALOACETIC ACIDS; DRINKING-WATER; DOT-RG; FIELD; SEPARATION; QUANTITATION; EXPLOSIVES AB The use of field asymmetric waveform ion mobility spectrometry (FAIMS) has rapidly grown with the advent of commercial FAIMS systems coupled to mass spectrometry. However, many fundamental aspects of FAIMS remain obscure, hindering its technological improvement and expansion of analytical utility. Recently, we developed a comprehensive numerical simulation approach to FAIMS that can handle any device geometry and operating conditions. The formalism was originally set up in one dimension for a uniform gas flow and limited to ideal asymmetric voltage waveforms. Here we extend the model to account for a realistic gas flow velocity distribution in the analytical gap, axial ion diffusion, and waveform imperfections (e.g., noise and ripple). The nonuniformity of the gas flow velocity profile has only a minor effect, slightly improving resolution. Waveform perturbations are significant even at very low levels, in some cases similar to 0.01% of the nominal voltage. These perturbations always improve resolution and decrease sensitivity, a trade-off controllable by variation of noise or ripple amplitude. This trade-off is physically inferior to that obtained by adjusting the gap width and/or asymmetric waveform frequency. However, the disadvantage is negligible when the perturbation period is much shorter than the residence time in FAIMS, and ripple adjustment appears to offer a practical method for modifying FAIMS resolution. C1 Pacific NW Natl Lab, Div Biol Sci, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Smith, RD (reprint author), Pacific NW Natl Lab, Div Biol Sci, Environm Mol Sci Lab, 3335 Q Ave,K8-98, Richland, WA 99352 USA. RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU NCRR NIH HHS [RR18522] NR 49 TC 31 Z9 31 U1 0 U2 3 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1044-0305 J9 J AM SOC MASS SPECTR JI J. Am. Soc. Mass Spectrom. PD SEP PY 2005 VL 16 IS 9 BP 1447 EP 1455 DI 10.1016/j.jasms.2005.04.003 PG 9 WC Biochemical Research Methods; Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA 961FE UT WOS:000231646500005 PM 16006140 ER PT J AU Galeva, NA Esch, SW Williams, TD Markille, LM Squier, TC AF Galeva, NA Esch, SW Williams, TD Markille, LM Squier, TC TI Rapid method for quantifying the extent of methionine oxidation in intact calmodulin SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Article ID MEMBRANE CA-ATPASE; TANDEM MASS-SPECTROMETRY; COLLISION-INDUCED DISSOCIATION; OXIDIZED CALMODULIN; SARCOPLASMIC-RETICULUM; SULFOXIDE REDUCTASE; SECONDARY STRUCTURE; COMPLEX-MIXTURES; CHARGE-STATE; PEPTIDE AB We have developed a method for rapidly quantifying the extent to which the functionally important Met(144) and Met(145) residues near the C-terminus of calmodulin (CaM) are converted to the corresponding sulfoxides, Met(O). The method utilizes a whole protein collision-induced dissociation (CID) approach on an electrospray ionization quadrupole time-of-flight (ESI-Q-TOF) mass spectrometer. Using standards of CaM oxidized by hydrogen peroxide (H2O2) or peroxynitrite (ONOO-), we demonstrated that CID fragmentation of the protein ions resulted in a series of C-terminal singly charged y(1)-y(15) ions. Fragments larger than y(4) exhibited mass shifts of + 16 or + 32 Da, corresponding to oxidation of one or two methionines, respectively. To assess the extent of oxidative modification for Met 144 and Met(145) to Met(O), we averaged the ratio of intensities for y(n), y(n) + 16, and y(n) + 32 ions, where n = 6-9. By alternating MS and CID scans at low and high collision energies, this technique allowed us to rapidly determine both the distribution of intact CaM oxiforms and the extent of oxidative modification in the C-terminal region of the protein in a single run. We have applied the method to studies of the repair of fully oxidized CaM by methionine sulfoxide reductases (MsrA and MsrB), which normally function in concert to reduce the S and R stereoisomers of methionine sulfoxide. We found that repair of Met(O)(144) and Met(C)(145) did not go to completion, but was more efficient than average Met repair. Absence of complete repair is consistent with previous studies showing that accumulation of methionine sulfoxide in CaM can occur during aging. C1 Univ Kansas, Mass Spectrometry Lab, Lawrence, KS 66045 USA. Pacific NW Natl Lab, Richland, WA USA. RP Williams, TD (reprint author), Univ Kansas, Mass Spectrometry Lab, 2010 Malott Hall,1251 Wescoe Hall Dr, Lawrence, KS 66045 USA. EM twilliams@ku.edu FU NIA NIH HHS [AG12993] NR 46 TC 16 Z9 17 U1 1 U2 2 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1044-0305 J9 J AM SOC MASS SPECTR JI J. Am. Soc. Mass Spectrom. PD SEP PY 2005 VL 16 IS 9 BP 1470 EP 1480 DI 10.1016/j/jasms.2005.04.009 PG 11 WC Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Chemistry; Spectroscopy GA 961FE UT WOS:000231646500008 PM 16023363 ER PT J AU Hong, JB Park, T Kwon, YS AF Hong, JB Park, T Kwon, YS TI Magnetic properties of various Kondo ground states in the heavy-fermion system CeNi1-xCoxGe2 SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE heavy fermion; Kondo effect; non-fermi-liquid behavior; magnetic property; CeNi1-xCoxGe2 ID TRANSPORT; MECHANISM; BEHAVIOR; ALLOYS; MODEL AB We have systematically studied the magnetic properties of the Kondo lattice system CeNi1-xCoxGe2 by using magnetic-susceptibility experiments. With increasing chi, hybridization between the localized 4f and the conduction-band electrons is enhanced. The magnetic order observed for the x = 0 composition is suppressed below 2 K for x >= 0.1. At high temperatures, the inverse magnetic susceptibilities for all x values are well fitted by a Curie-Weiss law with an effective magnetic moment of 2.55 mu(B). Anomalies found in the low-temperature region of the magnetic susceptibility are well explained by the Kondo model for a degenerate impurity spin J = 1/2, 3/2 and 5/2 in the Coqblin-Schrieffer limit for the Co concentration ranges of x <= 0.6, 0.7 <= x <= 0.8, and x >= 0.9, respectively. C1 Sungkyunkwan Univ, BK21 Phys Res Div, Suwon 440746, South Korea. Sungkyunkwan Univ, Inst Basic Sci, Suwon 440746, South Korea. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Seoul Natl Univ, Ctr Strongly Correlated Mat Res, Seoul 151742, South Korea. RP Kwon, YS (reprint author), Sungkyunkwan Univ, BK21 Phys Res Div, Suwon 440746, South Korea. EM yskwon@skku.ac.kr RI Park, Tuson/A-1520-2012 NR 20 TC 3 Z9 3 U1 0 U2 0 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD SEP PY 2005 VL 47 IS 3 BP 479 EP 483 PG 5 WC Physics, Multidisciplinary SC Physics GA 964XV UT WOS:000231915200015 ER PT J AU Houser, JN Mulholland, PJ Maloney, KO AF Houser, JN Mulholland, PJ Maloney, KO TI Catchment disturbance and stream metabolism: patterns in ecosystem respiration and gross primary production along a gradient of upland soil and vegetation disturbance SO JOURNAL OF THE NORTH AMERICAN BENTHOLOGICAL SOCIETY LA English DT Article DE ecosystem respiration; primary production; catchment disturbance; land use; seasonal patterns; military reservation ID RIVER CONTINUUM CONCEPT; LAND-USE; RIPARIAN; INTEGRITY; MACROINVERTEBRATES; HABITATS; EXCHANGE; QUALITY; WATER AB Catchment characteristics determine the inputs of sediments and nutrients to streams. As a result, natural or anthropogenic disturbance of upland soil and vegetation can affect instream processes. The Fort Benning Military Installation (near Columbus, Georgia) exhibits a wide range of upland disturbance levels because of spatial variability in the intensity of military training. This gradient of disturbance was used to investigate the effect of upland soil and vegetation disturbance on rates of stream metabolism (ecosystem respiration rate [ER] and gross primary production rate [GPP]). Stream metabolism was measured using an open-system, single-station approach. All streams were net heterotrophic during all seasons. ER was highest in winter and spring and lowest in summer and autumn. ER was negatively correlated with catchment disturbance level in winter, spring, and summer, but not in autumn. ER was positively correlated with abundance of coarse woody debris, but not significantly related to % benthic organic matter. GPP was low in all streams and generally not significantly correlated with disturbance level. Our results suggest that the generally intact riparian zones of these streams were not sufficient to protect them from the effect of upland disturbance, and they emphasize the role of the entire catchment in determining stream structure and function. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Auburn Univ, Dept Biol Sci, Auburn, AL 36849 USA. RP Houser, JN (reprint author), US Geol Survey, Upper Midw Environm Sci Ctr, 2630 Fanta Reed Rd, La Crosse, WI 54603 USA. EM jhouser@usgs.gov; mulhollandpj@ornl.gov; malonko@auburn.edu RI Mulholland, Patrick/C-3142-2012; Silva, Fausto/I-1873-2014; OI Houser, Jeffrey/0000-0003-3295-3132 NR 42 TC 49 Z9 51 U1 2 U2 44 PU NORTH AMER BENTHOLOGICAL SOC PI LAWRENCE PA 1041 NEW HAMSPHIRE STREET, LAWRENCE, KS 66044 USA SN 0887-3593 J9 J N AM BENTHOL SOC JI J. N. Am. Benthol. Soc. PD SEP PY 2005 VL 24 IS 3 BP 538 EP 552 DI 10.1899/0887-3593(2005)024\[0538:CDASMP\]2.0.CO;2 PG 15 WC Ecology; Marine & Freshwater Biology SC Environmental Sciences & Ecology; Marine & Freshwater Biology GA 965NI UT WOS:000231956900007 ER PT J AU Smith, AV AF Smith, AV TI Bandwidth and group-velocity effects in nanosecond optical parametric amplifiers and oscillators SO JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS LA English DT Article ID BROAD-BANDWIDTH; SINGLE-MODE; BEAM; OPERATION; LIGHT AB I numerically model broad-bandwidth optical parametric oscillation and amplification to explore the influence of pump bandwidth on conversion efficiency, injection seeding, and generated spectra. I also study narrow-bandwidth pumping of broad-bandwidth signal and idler waves. I show that the relative group velocities of the three waves have a critical effect on device performance in all cases and provide physical explanations for this. (C) 2005 Optical Society of America. C1 Sandia Natl Labs, Dept 1128, Albuquerque, NM 87185 USA. RP Smith, AV (reprint author), Sandia Natl Labs, Dept 1128, Albuquerque, NM 87185 USA. EM arlsmit@sandia.gov NR 14 TC 16 Z9 16 U1 1 U2 5 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0740-3224 J9 J OPT SOC AM B JI J. Opt. Soc. Am. B-Opt. Phys. PD SEP PY 2005 VL 22 IS 9 BP 1953 EP 1965 DI 10.1364/JOSAB.22.001953 PG 13 WC Optics SC Optics GA 963FZ UT WOS:000231790500017 ER PT J AU Kajimoto, R Mochizuki, H Yoshizawa, H Shintani, H Kimura, T Tokura, Y AF Kajimoto, R Mochizuki, H Yoshizawa, H Shintani, H Kimura, T Tokura, Y TI R-dependence of spin exchange interactions in RMnO3 (R = rare-earth ions) SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN LA English DT Article DE magnetic excitations; spin waves; manganites; neutron scattering ID NEUTRON-DIFFRACTION; MAGNETIC-STRUCTURE; PEROVSKITE; TRANSITION; LAMNO3 AB Magnon excitations have been investigated for PrMnO3 showing an A-type antiferromagnetic ordering and TbMnO3 forming a long-period spin ordering by inelastic neutron scattering. Combined with a result of LaMnO3 [K. Hirota et al.: J. Phys. Soc. Jpn. 65 (1996) 3736], the systematic data revealed that the ferromagnetic exchange interaction between nearest-neighbor (NN) Mn sites in the ab plane markedly decreases in RMnO3 with the ionic radius of R. In addition, finite next-nearest-neighbor (NNN) coupling is evident in TbMnO3. In contrast, the exchange interaction along the c axis shows a much weaker R dependence consistent with the Mn-O-Mn bond angle. These observations confirm a scenario that explains the evolution of spin structures in RMnO3 in terms of the competition between the NN and NNN interactions. C1 High Energy Accerlerator Res Org, Inst Mat Struct Sci, Neutron Sci Lab, Tsukuba, Ibaraki 3050801, Japan. Japan Atom Energy Res Inst, Neutron Sci Res Ctr, Tokai, Ibaraki 3191195, Japan. Univ Tokyo, ISSP, Neutron Sci Lab, Tokai, Ibaraki 3191106, Japan. Univ Tokyo, Dept Appl Phys, Bunkyo Ku, Tokyo 1138656, Japan. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP High Energy Accerlerator Res Org, Inst Mat Struct Sci, Neutron Sci Lab, 1-1 Oho, Tsukuba, Ibaraki 3050801, Japan. EM ryoichi@popsvr.tokai.jaeri.go.jp RI Tokura, Yoshinori/C-7352-2009 NR 18 TC 27 Z9 27 U1 3 U2 16 PU PHYSICAL SOC JAPAN PI TOKYO PA YUSHIMA URBAN BUILDING 5F, 2-31-22 YUSHIMA, BUNKYO-KU, TOKYO, 113-0034, JAPAN SN 0031-9015 J9 J PHYS SOC JPN JI J. Phys. Soc. Jpn. PD SEP PY 2005 VL 74 IS 9 BP 2430 EP 2433 DI 10.1143/JPSJ.74.2430 PG 4 WC Physics, Multidisciplinary SC Physics GA 968WB UT WOS:000232192500013 ER PT J AU Sousa, ME Chan, C Gao, YM Cloutier, S Jian, KQQ Weissman, BS Crawford, GP Hurt, R Yang, N AF Sousa, ME Chan, C Gao, YM Cloutier, S Jian, KQQ Weissman, BS Crawford, GP Hurt, R Yang, N TI Pen-writable nanocarbon arrays fabricated using liquid-crystalline materials for potential use in displays SO JOURNAL OF THE SOCIETY FOR INFORMATION DISPLAY LA English DT Article DE liquid crystal; nanotube; printing ID POLYMER MICROSTRUCTURES; CARBON NANOTUBES; FIELD-EMISSION; MICROTUBULES; EMITTERS; MESOGENS; TUBES; FILM AB We have fabricated carbon nanotubes and nanofibers using liquid-crystalline materials. By using these materials, the orientation of graphene layers can be manipulated using surface-anchoring techniques common to liquid-crystal displays. The bulk material properties of the graphene can be controlled by the spatial arrangement of the layers due to their anisotropic nature. We have also demonstrated a method to pattern arrays of these nanoforms using an automated printing technique. C1 Brown Univ, Div Engn, Providence, RI 02912 USA. Sandia Natl Labs, Livermore, CA USA. RP Sousa, ME (reprint author), Brown Univ, Div Engn, Providence, RI 02912 USA. EM matthew_sousa@Brown.edu OI Cloutier, Sylvain/0000-0003-0092-5241 NR 30 TC 0 Z9 0 U1 0 U2 4 PU SOC INFORMATION DISPLAY PI CAMPBELL PA 1475 S BASCOM AVE, STE 114, CAMPBELL, CA 95008 USA SN 1071-0922 J9 J SOC INF DISPLAY JI J. Soc. Inf. Disp. PD SEP PY 2005 VL 13 IS 9 BP 735 EP 741 DI 10.1889/1.2080510 PG 7 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Optics; Physics, Applied SC Engineering; Materials Science; Optics; Physics GA 025QW UT WOS:000236283000005 ER PT J AU Totemeier, TC AF Totemeier, TC TI Effect of high-velocity oxygen-fuel thermal spraying on the physical and mechanical properties of type 316 stainless steel SO JOURNAL OF THERMAL SPRAY TECHNOLOGY LA English DT Article DE coatings; hardness; high-velocity oxygen-fuel; stainless steel; thermal expansion; thermal spray ID IRON ALUMINIDE COATINGS; STRESS DISTRIBUTIONS; RESIDUAL-STRESSES; DEPOSITS; MODULUS AB Data on the microstructural, physical, and mechanical characteristics of high-velocity oxygen-fuel (HVOF)-sprayed type 316 stainless steel coatings are presented and compared with properties of wrought 316 stainless steel. Coatings were prepared at three different spray particle velocities; coating characteristics are presented as a function of velocity. The coatings had relatively low porosity and oxide contents and were significantly harder than annealed, wrought 316 stainless steel. The hardness difference is primarily attributed to high dislocation densities resulting from peening imparted by high-velocity spray particles. The coating hardness increased with increasing spray particle velocity, reflecting increased peening effects. The elastic modulus of the coatings was essentially identical to wrought material. The mean coefficient of thermal expansion of as-sprayed coatings was lower than wrought material, but the expansion of annealed coatings matched the wrought behavior. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Totemeier, TC (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM terry-totemeier@inl.gov NR 26 TC 14 Z9 14 U1 2 U2 3 PU ASM INTERNATIONAL PI MATERIALS PARK PA SUBSCRIPTIONS SPECIALIST CUSTOMER SERVICE, MATERIALS PARK, OH 44073-0002 USA SN 1059-9630 J9 J THERM SPRAY TECHN JI J. Therm. Spray Technol. PD SEP PY 2005 VL 14 IS 3 BP 369 EP 372 DI 10.1361/105996305X59440 PG 4 WC Materials Science, Coatings & Films SC Materials Science GA 962WP UT WOS:000231764300011 ER PT J AU Chang, CW Han, WQ Zettl, A AF Chang, CW Han, WQ Zettl, A TI Thermal conductivity of B-C-N and BN nanotubes SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article ID BORON-NITRIDE NANOTUBES; CARBON NANOTUBES; BXCYNZ NANOTUBES; NANOWIRES; HEAT; WELL AB We have measured the temperature-dependent thermal conductivity kappa(T) of boron-carbon-nitride (B-C-N) and boron nitride (BN) nanotube mats. The thermal conductivity of B-C-N nanotubes is phonon dominated and reflects dimensional effect below 70 K. We employ a new analysis method to estimate the intrinsic kappa(T) of BN nanotubes converted from B-C-N nanotubes, and find that at room temperature kappa(T) of a multiwalled BN nanotube is within 0.04-0.32 times that of a multiwalled carbon nanotube. The lower kappa(T) of BN nanotubes than that of carbon nanotubes may be due to the enhanced isotope disorder effect in one dimension. (c) 2005 American Vacuum Society. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Sci Mat, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Chang, CW (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM chihwei@berkeley.edu RI Chang, Chih-Wei/A-5974-2012; Zettl, Alex/O-4925-2016 OI Zettl, Alex/0000-0001-6330-136X NR 22 TC 21 Z9 21 U1 1 U2 7 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD SEP-OCT PY 2005 VL 23 IS 5 BP 1883 EP 1886 DI 10.1116/1.2008266 PG 4 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 975EK UT WOS:000232643600007 ER PT J AU Naulleau, PP Cain, JP Goldberg, KA AF Naulleau, PP Cain, JP Goldberg, KA TI Lithographic characterization of the field dependent astigmatism and alignment stability of a 0.3 numerical aperture extreme ultraviolet microfield optic SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article AB Here we describe the lithographic characterization of the astigmatism in a 0.3-numerical aperture extreme ultraviolet (EUV) microexposure tool installed at Lawrence Berkeley National Laboratory. The lithographic results, measured across the field of view, are directly compared to EUV interferometry results obtained from the same tool at Berkeley during the optic alignment phase nearly one year prior to the lithographic characterization. The results suggest a possible long-term astigmatism drift on the order of 0.5 nm rms. Moreover, the uncertainty in the lithographic characterization is shown to be approximately 0. 1 nm rms, similar to the precision previously demonstrated from EUV interferometry. (c) 2005 American Vacuum Society. C1 SUNY Albany, Coll Nanoscale Sci & Engn, Albany, NY 12203 USA. Univ Calif Berkeley, EECS Dept, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Ctr XRay Opt, Berkeley, CA 94720 USA. RP Naulleau, PP (reprint author), SUNY Albany, Coll Nanoscale Sci & Engn, Albany, NY 12203 USA. EM pnaulleau@uamail.albany.edu NR 14 TC 8 Z9 8 U1 0 U2 1 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD SEP-OCT PY 2005 VL 23 IS 5 BP 2003 EP 2006 DI 10.1116/1.2037647 PG 4 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 975EK UT WOS:000232643600029 ER PT J AU Olynick, DL Liddle, JA Rangelow, IW AF Olynick, DL Liddle, JA Rangelow, IW TI Profile evolution of Cr masked features undergoing HBr-inductively coupled plasma etching for use in 25 nm silicon nanoimprint templates SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article ID CL-2; LITHOGRAPHY; POLYSILICON; DISCHARGES AB In nanoimprint template fabrication, the profile of the template features plays a significant role in the profile, release properties, and CD of the imprinted features. We present a study of profile evolution of nanopatterned Si etching for the fabrication of Si nanoimprint templates using a thin Cr hard mask and an HBr inductively coupled plasma (ICP). In this work, we show the effects of chamber pressure, line spacing, mask selectivity, and mask shape on the bowing, notching, microtrenching, and etching rate of nanopatterned silicon for pressures in the range of 2-10 mTorr for line sizes between 20 and 100 nm (1:1 line to space ratio). We observed that, for features with sizes below 50 nm, increasing pressure leads to positively sloped sidewalls and microtrenching. At lower pressures, lower etching rates are observed-together with poorer selectivity and mask faceting. Furthermore, we see a tendency for aspect ratio dependent etching (ARDE) or reactive ion etching (RIE) lag at low pressures. Unlike RIE reactors, dc bias in our ICP etcher decreases with decreasing pressure and constant electrode and ICP power. This suggests that neutral shadowing is the mechanism responsible for ARDE. Under constant power and temperature conditions, due to counterbalancing pressure effects between 2 and 10 mTorr, we obtain optimum imprint profiles at an intermediate pressure of 5 mTorr. (c) 2005 American. Vacuum Society. C1 Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94530 USA. Univ Kassel, Inst Microstruct & Technol & Analyt, D-34132 Kassel, Germany. RP Olynick, DL (reprint author), Lawrence Berkeley Natl Lab, Ctr Xray Opt, 1 Cyclotron Rd,MS 2-400, Berkeley, CA 94530 USA. EM dlolynick@lbl.gov RI Liddle, James/A-4867-2013 OI Liddle, James/0000-0002-2508-7910 NR 15 TC 14 Z9 14 U1 0 U2 1 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD SEP-OCT PY 2005 VL 23 IS 5 BP 2073 EP 2077 DI 10.1113/1.2050669 PG 5 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 975EK UT WOS:000232643600041 ER EF