FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Galabov, B Kim, S Xie, Y Schaefer, HF Leininger, ML Durig, JR AF Galabov, Boris Kim, Sunghwan Xie, Yaoming Schaefer, Henry F., III Leininger, Matthew L. Durig, James R. TI Conformations of allyl amine: Theory vs experiment SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article; Proceedings Paper CT Conference in Honor of Professor William A Lester on his 70th Birthday CY MAR, 2007 CL Univ Calif, Berkeley, CA HO Univ Calif ID AB-INITIO CALCULATIONS; ELECTRON CORRELATION-ENERGY; PERTURBATION-THEORY; CONFIGURATION-INTERACTION; VIBRATIONAL-SPECTRA; BASIS-SETS; MODEL; IMPLEMENTATION; APPROXIMATION; 5TH-ORDER AB The relative stabilities of the five conformers of allyl amine, a medium-size aliphatic molecule, were estimated by applying ab initio quantum mechanical methods at several levels of theory. The second-order Moller-Plesset perturbation method (MP2), quadratic configuration interaction including single and double excitations (QCISD), coupled-cluster with single and double excitations (CCSD) and CCSD plus perturbative triple excitations [CCSD(T)] were applied. The Dunning correlation consistent basis sets (through aug-cc-pVQZ and cc-pV5Z) were employed. The MP2 energies relative to the energy of the cis-trans conformer reported here appear to approach the basis set limit. The predicted allyl amine conformer energies approaching the Hartree-Fock basis set limit are 158 cm(-1) (cis-gauche), -5 cm(-1) (gauche-trans), and -146 cm(-1) (gauche-gauche). The same three relative energies near the MP2 basis set limit are 135, 103, and 50 cm-1, respectively. The analogous energies deduced from experiment are 173 +/- 12, 92 +/- 8, and 122 +/- 5 cm-1. The theoretical results obtained in the present study suggest that satisfactory predictions of the conformer energetics of allyl amine may be achieved only by theoretical methods that incorporate consideration of correlation effects in conjunction with large basis sets. Evaluation of the zero-point vibrational energy corrections is critical, due to the very small classical energy differences between the five conformers of allyl amine. Agreement between theory and experiment for the gauche-gauche conformational energy remains problematical. C1 [Galabov, Boris; Kim, Sunghwan; Xie, Yaoming; Schaefer, Henry F., III] Univ Georgia, Ctr Computat Chem, Athens, GA 30602 USA. [Leininger, Matthew L.] Sandia Natl Labs, Scalable Comp Res & Dev, Livermore, CA 94551 USA. [Durig, James R.] Univ Missouri, Dept Chem, Kansas City, MO 64110 USA. RP Leininger, ML (reprint author), Univ Georgia, Ctr Computat Chem, Athens, GA 30602 USA. RI Kim, Sunghwan/A-6738-2008 OI Kim, Sunghwan/0000-0001-9828-2074 NR 38 TC 6 Z9 6 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD MAR 13 PY 2008 VL 112 IS 10 BP 2120 EP 2124 DI 10.1021/jp710585q PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 271JK UT WOS:000253784500023 PM 18247513 ER PT J AU Whitesides, R Domin, D Salomon-Ferrer, R Lester, WA Frenklach, M AF Whitesides, Russell Domin, Dominik Salomon-Ferrer, Romelia Lester, William A., Jr. Frenklach, Michael TI Graphene layer growth chemistry: Five- and six-member ring flip reaction SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article; Proceedings Paper CT Conference in Honor of Professor William A Lester on his 70th Birthday CY MAR, 2007 CL Univ Calif, Berkeley, CA HO Univ Calif ID ELECTRONIC-STRUCTURE; REACTION SYSTEMS; REARRANGEMENT; MECHANISM; MIGRATION AB Reaction pathways are presented for hydrogen-mediated isomerization of a five- and six-member carbon ring complex on the zigzag edge of a graphene layer. A new reaction sequence that reverses the orientation of the ring complex, or "flips" it, was identified. Competition between the flip reaction and the "ring separation" was examined. Ring separation is the reverse of the five- and six-member ring complex formation reaction, previously reported as "ring collision". The elementary steps of the pathways were analyzed using density functional theory (I)FT). Rate coefficients were obtained by solution of the energy master equation and classical transition-state-theory utilizing the DFT energies, frequencies., and geometries. The results indicate that the flip reaction pathway dominates the separation reaction and should be competitive with other pathways important to the graphene zigzag edge growth in high-temperature environments. C1 [Whitesides, Russell; Frenklach, Michael] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Whitesides, Russell; Frenklach, Michael] Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Domin, Dominik; Salomon-Ferrer, Romelia; Lester, William A., Jr.] Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. [Salomon-Ferrer, Romelia; Lester, William A., Jr.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Frenklach, M (reprint author), Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. EM myf@me.berkeley.edu NR 35 TC 14 Z9 14 U1 0 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 MAR 13 PY 2008 VL 112 IS 10 BP 2125 EP 2130 DI 10.1021/jp075785a PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 271JK UT WOS:000253784500024 PM 18085755 ER PT J AU Gnanakaran, S Scott, B McCleskey, TM Garcia, AE AF Gnanakaran, S. Scott, Brian McCleskey, T. Mark Garcia, Angel E. TI Perturbation of local solvent structure by a small dication: A theoretical study on structural, vibrational, and reactive properties of beryllium ion in water SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID MOLECULAR-DYNAMICS SIMULATION; AB-INITIO; HYDROXO COMPLEXES; CRYSTAL-STRUCTURE; AQUEOUS-SOLUTION; HLA-DP; DISEASE; HYDRATION; BE2+; HYDROLYSIS AB A molecular based understanding of beryllium chemistry in the context of biomolecules is necessary for gaining progress in prevention and treatment of chronic beryllium disease. One aspect that has hindered the theoretical progress has been the lack of a simple classical two-body potential for the aqueous beryllium ion (Be2+) to be used with biomolecular simulations. We provide new parameters for Be2+ that capture the structural and reactive properties of this small dication. Using classical molecular dynamics simulations, we show that these parameters reproduce the correct radial distribution function and coordination numbers for this cation in explicit aqueous solution when compared to published diffraction and NMR measurements. The geometrical parameters obtained using classical simulations are also in agreement with ab initio calculations. We successfully predict the vibrational modes of the tetra aqua Be2+ dication from ab initio calculations on solvated structures obtained from the simulations. The calculated vibrational modes show better agreement with experiments compared to any published work. This new potential also produces a well-established hydrogen bonding between the first and second solvation shells. More importantly, when the molecular dynamics (MD) and ab initio results are interpreted in concert, the dynamics and nature of interactions between the first and second shells capture the pivotal role they play on the reactivity of aqua-Be complexes. C1 [Gnanakaran, S.; Scott, Brian; McCleskey, T. Mark] Los Alamos Natl Lab, Theoret Biol & Biophy Grp, MPA Mat Chem, Los Alamos, NM 87545 USA. [Garcia, Angel E.] Rensselaer Polytech Inst, Ctr Biotechnol & Interdisciplinary Studies, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. RP Gnanakaran, S (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophy Grp, MPA Mat Chem, Los Alamos, NM 87545 USA. EM gnana@lanl.gov RI McCleskey, Thomas/J-4772-2012; Scott, Brian/D-8995-2017; OI Scott, Brian/0000-0003-0468-5396; Gnanakaran, S/0000-0002-9368-3044; Mccleskey, Thomas/0000-0003-3750-3245 NR 41 TC 10 Z9 10 U1 0 U2 4 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 MAR 13 PY 2008 VL 112 IS 10 BP 2958 EP 2963 DI 10.1021/jp076001w PG 6 WC Chemistry, Physical SC Chemistry GA 271JM UT WOS:000253784700028 PM 18281967 ER PT J AU Zaitseva, N Hamel, S Dai, ZR Saw, C Williamson, A Galli, G AF Zaitseva, Natalia Hamel, Sebastien Dai, Zu Rong Saw, Cheng Williamson, Andrew Galli, Giulia TI Effect of nitrogen on the stability of silicon nanocrystals produced by decomposition of alkyl silanes SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID LIQUID-PHASE EPITAXY; AMORPHOUS-SILICON; THERMAL-DECOMPOSITION; ELECTRONIC-STRUCTURE; POROUS SILICON; QUANTUM DOTS; SI-AU; NANOPARTICLES; NANOCLUSTERS; LUMINESCENCE AB Si nanocrystals 1-10 nm in size highly resistant to oxidation were prepared by thermal (680 degrees C) or gold-induced (450-600 degrees C) decomposition of tetramethylsilane and tetraethylsilane using trioctylamine as an initial solvent. Transmission electron microscopy analysis of samples obtained in the presence of gold showed that Si nanocrystals form via solid-phase epitaxial attachment of Si to the gold crystal lattice. The results of computational modeling performed using first principles density functional theory calculations show that the enhanced stability of nanocrystals to oxidation is due to the presence of N or N-containing groups on the surface of nanocrystals. C1 [Zaitseva, Natalia; Hamel, Sebastien; Dai, Zu Rong; Saw, Cheng; Williamson, Andrew; Galli, Giulia] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Zaitseva, N (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. EM zaitseva1@llnl.gov RI Dai, Zurong/E-6732-2010 NR 47 TC 3 Z9 3 U1 0 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAR 13 PY 2008 VL 112 IS 10 BP 3585 EP 3590 DI 10.1021/jp0776255 PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 271JJ UT WOS:000253784400020 ER PT J AU Han, HJ Russo, J Kohwi, Y Kohwi-Shigematsu, T AF Han, Hye-Jung Russo, Jose Kohwi, Yoshinori Kohwi-Shigematsu, Terumi TI SATB1 reprogrammes gene expression to promote breast tumour growth and metastasis SO NATURE LA English DT Article ID EPITHELIAL-MESENCHYMAL TRANSITIONS; CANCER METASTASIS; SIGNAL-TRANSDUCTION; BINDING PROTEIN; IN-VIVO; CHROMATIN; CELLS; PROGRESSION; ARCHITECTURE; APOPTOSIS AB Mechanisms underlying global changes in gene expression during tumour progression are poorly understood. SATB1 is a genome organizer that tethers multiple genomic loci and recruits chromatin- remodelling enzymes to regulate chromatin structure and gene expression. Here we show that SATB1 is expressed by aggressive breast cancer cells and its expression level has high prognostic significance ( P < 0.0001), independent of lymph- node status. RNA- interference- mediated knockdown of SATB1 in highly aggressive ( MDA- MB- 231) cancer cells altered the expression of >1,000 genes, reversing tumorigenesis by restoring breast- like acinar polarity and inhibiting tumour growth and metastasis in vivo. Conversely, ectopic SATB1 expression in non- aggressive ( SKBR3) cells led to gene expression patterns consistent with aggressive- tumour phenotypes, acquiring metastatic activity in vivo. SATB1 delineates specific epigenetic modifications at target gene loci, directly upregulating metastasis- associated genes while downregulating tumour- suppressor genes. SATB1 reprogrammes chromatin organization and the transcription profiles of breast tumours to promote growth and metastasis; this is a new mechanism of tumour progression. C1 [Han, Hye-Jung; Kohwi, Yoshinori; Kohwi-Shigematsu, Terumi] Univ Calif Berkeley, Div Life Sci, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Russo, Jose] Fox Chase Canc Ctr, Breast Canc Res Lab, Philadelphia, PA 19111 USA. RP Kohwi-Shigematsu, T (reprint author), Univ Calif Berkeley, Div Life Sci, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM YKohwi@lbl.gov; Terumiks@lbl.gov NR 50 TC 296 Z9 337 U1 1 U2 25 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD MAR 13 PY 2008 VL 452 IS 7184 BP 187 EP 193 DI 10.1038/nature06781 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 273JG UT WOS:000253925600034 PM 18337816 ER PT J AU Mulholland, PJ Helton, AM Poole, GC Hall, RO Hamilton, SK Peterson, BJ Tank, JL Ashkenas, LR Cooper, LW Dahm, CN Dodds, WK Findlay, SEG Gregory, SV Grimm, NB Johnson, SL McDowell, WH Meyer, JL Valett, HM Webster, JR Arango, CP Beaulieu, JJ Bernot, MJ Burgin, AJ Crenshaw, CL Johnson, LT Niederlehner, BR O'Brien, JM Potter, JD Sheibley, RW Sobota, DJ Thomas, SM AF Mulholland, Patrick J. Helton, Ashley M. Poole, Geoffrey C. Hall, Robert O., Jr. Hamilton, Stephen K. Peterson, Bruce J. Tank, Jennifer L. Ashkenas, Linda R. Cooper, Lee W. Dahm, Clifford N. Dodds, Walter K. Findlay, Stuart E. G. Gregory, Stanley V. Grimm, Nancy B. Johnson, Sherri L. McDowell, William H. Meyer, Judy L. Valett, H. Maurice Webster, Jackson R. Arango, Clay P. Beaulieu, Jake J. Bernot, Melody J. Burgin, Amy J. Crenshaw, Chelsea L. Johnson, Laura T. Niederlehner, B. R. O'Brien, Jonathan M. Potter, Jody D. Sheibley, Richard W. Sobota, Daniel J. Thomas, Suzanne M. TI Stream denitrification across biomes and its response to anthropogenic nitrate loading SO NATURE LA English DT Article ID NORTHEASTERN USA; NITROGEN; WATERSHEDS; CONSEQUENCES; METABOLISM; OCEAN; RIVER; LAND; SIZE; FLUX AB Anthropogenic addition of bioavailable nitrogen to the biosphere is increasing(1,2) and terrestrial ecosystems are becoming increasingly nitrogen- saturated(3), causing more bioavailable nitrogen to enter groundwater and surface waters(4-6). Large- scale nitrogen budgets show that an average of about 20 - 25 per cent of the nitrogen added to the biosphere is exported from rivers to the ocean or inland basins(7,8), indicating that substantial sinks for nitrogen must exist in the landscape(9). Streams and rivers may themselves be important sinks for bioavailable nitrogen owing to their hydrological connections with terrestrial systems, high rates of biological activity, and streambed sediment environments that favour microbial denitrification(6,10,11). Here we present data from nitrogen stable isotope tracer experiments across 72 streams and 8 regions representing several biomes. We show that total biotic uptake and denitrification of nitrate increase with stream nitrate concentration, but that the efficiency of biotic uptake and denitrification declines as concentration increases, reducing the proportion of in- stream nitrate that is removed from transport. Our data suggest that the total uptake of nitrate is related to ecosystem photosynthesis and that denitrification is related to ecosystem respiration. In addition, we use a stream network model to demonstrate that excess nitrate in streams elicits a disproportionate increase in the fraction of nitrate that is exported to receiving waters and reduces the relative role of small versus large streams as nitrate sinks. C1 [Mulholland, Patrick J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Mulholland, Patrick J.; Cooper, Lee W.] Univ Tennessee, Dept Ecol & Evolutionary Biol, Knoxville, TN 37996 USA. [Helton, Ashley M.; Poole, Geoffrey C.; Meyer, Judy L.] Univ Georgia, Odum Sch Ecol, Athens, GA 30602 USA. [Poole, Geoffrey C.] Ecometr Inc, Tucker, GA 30084 USA. [Hall, Robert O., Jr.] Univ Wyoming, Dept Zool & Physiol, Laramie, WY 82071 USA. [Hamilton, Stephen K.; Burgin, Amy J.; O'Brien, Jonathan M.] Michigan State Univ, Kellogg Biol Stn, Hickory Corners, MI 49060 USA. [Peterson, Bruce J.; Thomas, Suzanne M.] Marine Biol Lab, Ctr Ecosyst, Woods Hole, MA 02543 USA. [Tank, Jennifer L.; Arango, Clay P.; Beaulieu, Jake J.; Johnson, Laura T.] Univ Notre Dame, Dept Biol Sci, Notre Dame, IN 46556 USA. [Ashkenas, Linda R.; Gregory, Stanley V.; Sobota, Daniel J.] Oregon State Univ, Dept Fisheries & Wildlife, Corvallis, OR 97331 USA. [Dahm, Clifford N.; Crenshaw, Chelsea L.] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. [Dodds, Walter K.] Kansas State Univ, Div Biol, Manhattan, KS 66506 USA. [Findlay, Stuart E. G.] Inst Ecosyst Studies, Millbrook, NY 12545 USA. [Grimm, Nancy B.; Sheibley, Richard W.] Arizona State Univ, Sch Life Sci, Tempe, AZ 85287 USA. [Johnson, Sherri L.] US Forest Serv, Pacific NW Res Stn, Corvallis, OR 97331 USA. [McDowell, William H.; Potter, Jody D.] Univ New Hampshire, Dept Nat Resources, Durham, NH 03824 USA. [Valett, H. Maurice; Webster, Jackson R.; Niederlehner, B. R.] Virginia Tech, Dept Biol Sci, Blacksburg, VA 24061 USA. [Bernot, Melody J.] Ball State Univ, Dept Biol, Muncie, IN 47306 USA. RP Mulholland, PJ (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM mulhollandpj@ornl.gov RI McDowell, William/E-9767-2010; Burgin, Amy/C-1528-2010; Mulholland, Patrick/C-3142-2012; Cooper, Lee/E-5251-2012; O'Brien, Jonathan/G-6786-2012; Grimm, Nancy/D-2840-2009; Burgin, Amy/G-7444-2014; OI McDowell, William/0000-0002-8739-9047; Burgin, Amy/0000-0001-8489-4002; Cooper, Lee/0000-0001-7734-8388; Grimm, Nancy/0000-0001-9374-660X; Burgin, Amy/0000-0001-8489-4002; Sheibley, Richard/0000-0003-1627-8536; Poole, Geoffrey/0000-0002-8458-0203 NR 32 TC 478 Z9 498 U1 24 U2 372 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 MAR 13 PY 2008 VL 452 IS 7184 BP 202 EP U46 DI 10.1038/nature06686 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 273JG UT WOS:000253925600037 PM 18337819 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 Frisullo, V 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 Bianco, S Fabbri, FL 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 Otalora, J 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 Nehring, M Sheldon, PD Vaandering, EW Webster, M Sheaff, M AF Link, J. M. Yager, P. M. Anjos, J. C. Bediaga, I. Castromonte, C. Machado, A. A. Magnin, J. Massafferri, A. de Miranda, J. M. Pepe, I. M. Polycarpo, E. dos Reis, A. C. Carrillo, S. Casimiro, E. Cuautle, E. Sanchez-Hernandez, A. Uribe, C. Vazquez, F. Agostino, L. Cinquini, L. Cumalat, J. P. Frisullo, V. O'Reilly, B. Segoni, I. Stenson, K. Butler, J. N. Cheung, H. W. K. Chiodini, G. Gaines, I. Garbincius, P. H. Garren, L. A. Gottschalk, E. Kasper, P. H. Kreymer, A. E. Kutschke, R. Wang, M. Benussi, L. Bianco, S. Fabbri, F. L. Zallo, A. Reyes, M. Cawlfield, C. Kim, D. Y. Rahimi, A. Wiss, J. Gardner, R. Kryemadhi, A. Chung, Y. S. Kang, J. S. Ko, B. R. Kwak, J. W. Lee, K. B. 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, T. F., III Arena, V. Boca, G. Bonomi, G. Gianini, G. Liguori, G. Pegna, D. Lopes Merlo, M. M. Pantea, D. Ratti, S. P. Riccardi, C. Vitulo, P. Gobel, C. Otalora, J. Hernandez, H. Lopez, A. M. Mendez, H. Paris, A. Quinones, J. Ramirez, J. E. Zhang, Y. Wilson, J. R. Handler, T. Mitchell, R. Engh, D. Hosack, M. Johns, W. E. Luiggi, E. Nehring, M. Sheldon, P. D. Vaandering, E. W. Webster, M. Sheaff, M. TI Search for a pentaquark decaying to Xi(-)pi(-) SO PHYSICS LETTERS B LA English DT Article ID MULTI-QUARK HADRONS; FOCUS SPECTROMETER; PHYSICS AB We present a search for a pentaquark decaying strongly to Xi(-)pi(-) in gamma N collisions at a center-of-mass energy up to 25 GeV/c(2). Finding to evidence for such a state in the mass range of 1480 MeV/c(2) to 2400 MeV/c(2), we set limits on the yield and on the cross section times branching ratio relative to Xi*(1530)(0). (c) 2008 Elsevier B.V. All rights reserved. C1 [Hernandez, H.; Lopez, A. M.; Mendez, H.; Paris, A.; Quinones, J.; Ramirez, J. E.; Zhang, Y.] Univ Puerto Rico, Mayaguez, PR 00681 USA. [Link, J. M.; Yager, P. M.] Univ Calif Davis, Davis, CA 95616 USA. [Anjos, J. C.; Bediaga, I.; Castromonte, C.; Machado, A. A.; Magnin, J.; Massafferri, A.; de Miranda, J. M.; Pepe, I. M.; Polycarpo, E.; dos Reis, A. C.] Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, RJ, Brazil. [Carrillo, S.; Casimiro, E.; Cuautle, E.; Sanchez-Hernandez, A.; Uribe, C.; Vazquez, F.] CINVESTAV, Mexico City 07000, DF, Mexico. [Agostino, L.; Cinquini, L.; Cumalat, J. P.; Frisullo, V.; O'Reilly, B.; Segoni, I.; Stenson, K.] Univ Colorado, Boulder, CO 80309 USA. [Butler, J. N.; Cheung, H. W. K.; Chiodini, G.; Gaines, I.; Garbincius, P. H.; Garren, L. A.; Gottschalk, E.; Kasper, P. H.; Kreymer, A. E.; Kutschke, R.; Wang, M.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Benussi, L.; Bianco, S.; Fabbri, F. L.; Zallo, A.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Reyes, M.] Univ Guanajuato, Guanajuato 37150, Mexico. [Cawlfield, C.; Kim, D. Y.; Rahimi, A.; Wiss, J.] Univ Illinois, Urbana, IL 61801 USA. [Gardner, R.; Kryemadhi, A.] Indiana Univ, Bloomington, IN 47405 USA. [Chung, Y. S.; Kang, J. S.; Ko, B. R.; Kwak, J. W.; Lee, K. B.] Korea Univ, Seoul 136701, South Korea. [Cho, K.; Park, H.] Kyungpook Natl Univ, Taegu 702701, South Korea. [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.] Ist Nazl Fis Nucl, Milan, Italy. [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.] Univ Milan, Milan, Italy. [Davenport, T. F., III] Univ N Carolina, Asheville, NC 28804 USA. [Arena, V.; Boca, G.; Bonomi, G.; Gianini, G.; Liguori, G.; Pegna, D. Lopes; Merlo, M. M.; Pantea, D.; Ratti, S. P.; Riccardi, C.; Vitulo, P.] Dipartimento Fis Teorica & Nucl, Pavia, Italy. [Arena, V.; Boca, G.; Bonomi, G.; Gianini, G.; Liguori, G.; Pegna, D. Lopes; Merlo, M. M.; Pantea, D.; Ratti, S. P.; Riccardi, C.; Vitulo, P.] Ist Nazl Fis Nucl, Pavia, Italy. [Gobel, C.; Otalora, J.] Pontificia Univ Catolica Rio de Janeiro, Rio De Janeiro, RJ, Brazil. [Wilson, J. R.] Univ S Carolina, Columbia, SC 29208 USA. [Handler, T.; Mitchell, R.] Univ Tennessee, Knoxville, TN 37996 USA. [Engh, D.; Hosack, M.; Johns, W. E.; Luiggi, E.; Nehring, M.; Sheldon, P. D.; Vaandering, E. W.; Webster, M.] Vanderbilt Univ, Nashville, TN 37235 USA. [Sheaff, M.] Univ Wisconsin, Madison, WI 53706 USA. RP Ramirez, JE (reprint author), Univ Puerto Rico, Mayaguez, PR 00681 USA. EM eduardo@charma-uprm.edu 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 NR 25 TC 6 Z9 6 U1 0 U2 6 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 MAR 13 PY 2008 VL 661 IS 1 BP 14 EP 21 DI 10.1016/j.physletb.2008.01.063 PG 8 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 281FL UT WOS:000254482200004 ER PT J AU Vorotnikov, VS Smith, CW Hu, Q Szabo, A Skoug, RM Cohen, CMS AF Vorotnikov, Vasiliy S. Smith, Charles W. Hu, Qiang Szabo, Adam Skoug, Ruth M. Cohen, Christina M. S. TI Automated shock detection and analysis algorithm for space weather application SO SPACE WEATHER-THE INTERNATIONAL JOURNAL OF RESEARCH AND APPLICATIONS LA English DT Article ID ADVANCED COMPOSITION EXPLORER; RANKINE-HUGONIOT PROBLEM; RADIATION BELT FORMATION; INTERPLANETARY SHOCKS; MAGNETIC-FIELDS; WIND; ACCELERATION AB [1] Space weather applications have grown steadily as real-time data have become increasingly available. Numerous industrial applications have arisen with safeguarding of the power distribution grids being a particular interest. NASA uses short-term and long-term space weather predictions in its launch facilities. Researchers studying ionospheric, auroral, and magnetospheric disturbances use real-time space weather services to determine launch times. Commercial airlines, communication companies, and the military use space weather measurements to manage their resources and activities. As the effects of solar transients upon the Earth's environment and society grow with the increasing complexity of technology, better tools are needed to monitor and evaluate the characteristics of the incoming disturbances. A need is for automated shock detection and analysis methods that are applicable to in situ measurements upstream of the Earth. Such tools can provide advance warning of approaching disturbances that have significant space weather impacts. Knowledge of the shock strength and speed can also provide insight into the nature of the approaching solar transient prior to arrival at the magnetopause. We report on efforts to develop a tool that can find and analyze shocks in interplanetary plasma data without operator intervention. This method will run with sufficient speed to be a practical space weather tool providing useful shock information within 1 min of having the necessary data to ground. The ability to run without human intervention frees space weather operators to perform other vital services. We describe ways of handling upstream data that minimize the frequency of false positive alerts while providing the most complete description of approaching disturbances that is reasonably possible. C1 [Vorotnikov, Vasiliy S.] Univ New Hampshire, Dept Chem Engn, Durham, NH USA. [Hu, Qiang] Univ New Hampshire, Inst Geophys, Durham, NH USA. [Smith, Charles W.] Univ New Hampshire, Ctr Space Sci, Durham, NH 03824 USA. [Szabo, Adam] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Skoug, Ruth M.] Los Alamos Natl Lab, Los Alamos, NM USA. [Cohen, Christina M. S.] CALTECH, Space Radiat Lab, Pasadena, CA USA. RP Vorotnikov, VS (reprint author), Univ New Hampshire, Dept Chem Engn, Durham, NH USA. NR 39 TC 12 Z9 13 U1 0 U2 3 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 MAR 13 PY 2008 VL 6 IS 3 AR S03002 DI 10.1029/2007SW000358 PG 12 WC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology & Atmospheric Sciences SC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology & Atmospheric Sciences GA 276UU UT WOS:000254169800001 ER PT J AU Mota, A Knap, J Ortiz, M AF Mota, Alejandro Knap, Jaroslaw Ortiz, Michael TI Fracture and fragmentation of simplicial finite element meshes using graphs SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING LA English DT Article DE solids; fracture; finite element methods; mesh representation; topology ID LOADED PRENOTCHED PLATES; PROPAGATING SHEAR BANDS; 3-DIMENSIONAL FRAGMENTATION; LOCALIZATION; DEFORMATION; SIMULATIONS; ALGORITHM; STRAIN; DAMAGE; SPEED AB An approach for the topological representation of simplicial finite element meshes as graphs is presented. It is shown that by using a graph, the topological changes induced by fracture reduce to a few, local kernel operations. The performance of the graph representation is demonstrated and analyzed, using as reference the three-dimensional fracture algorithm by Pandolfi and Ortiz (Eng. Comput. 1998; 14(4):287-308). It is shown that the graph representation initializes in O(N-E(1.1)) time and fractures in O(N-1(1.0)) time, while the reference implementation requires O(N-E(2.1)) time to fracture, where N-E time to initialize and O(N-I(1.9)) is the number of elements in the mesh and I-E(N) is the number of interfaces to fracture. Copyright (c) 2007 John Wiley & Sons, Ltd. C1 [Mota, Alejandro; Ortiz, Michael] CALTECH, Div Engn & Appl Sci, Pasadena, CA 91125 USA. [Knap, Jaroslaw] Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. RP Ortiz, M (reprint author), CALTECH, Div Engn & Appl Sci, Pasadena, CA 91125 USA. EM ortiz@aero.caltech.edu NR 41 TC 18 Z9 18 U1 0 U2 2 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0029-5981 EI 1097-0207 J9 INT J NUMER METH ENG JI Int. J. Numer. Methods Eng. PD MAR 12 PY 2008 VL 73 IS 11 BP 1547 EP 1570 DI 10.1002/nme.2135 PG 24 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 280WO UT WOS:000254457600003 ER PT J AU Freeman, PG Boothroyd, AT Ewings, RA Hucker, M Prabhakaran, D Enderle, M Tranquada, JM AF Freeman, P. G. Boothroyd, A. T. Ewings, R. A. Huecker, M. Prabhakaran, D. Enderle, M. Tranquada, J. M. TI Temperature evolution of the magnetic excitations in charge ordered La5/3Sr1/3NiO4 SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 4th European Conference on Neutron Scattering CY JUN, 2007 CL Lund, SWEDEN ID COPPER-OXIDE SUPERCONDUCTORS; NEUTRON-SCATTERING; SPIN EXCITATIONS; STRIPE ORDER; LA2-XSRXNIO4; YBA2CU3O6+X; SYSTEM AB Polarized- and unpolarized-neutron scattering was used to study the temperature evolution of the magnetic excitations of charge ordered La5/3Sr1/3NiO4. We studied two features in detail: (i) the resonance-like scattering at 27 meV in the quasi-two-dimensional magnetic excitations from the ordered Ni2+ (S = 1) spins, and (ii) the diffuse scattering associated with quasi-one-dimensional antiferromagnetic correlations along the stripes. Although both these features persist up to at least similar to 125 K, their temperature dependences are found to be quite different. We argue from the results that the resonance- like feature observed in La2-xSrxNiO4 (x similar to 1/3) is not caused by a coupling between the spin dynamics of the two magnetic sub-systems. C1 [Freeman, P. G.; Enderle, M.] Inst Max Von Laue Paul Langevin, F-38042 Grenoble 9, France. [Boothroyd, A. T.; Ewings, R. A.; Prabhakaran, D.] Univ Oxford, Dept Phys, Oxford OX1 3PU, England. [Huecker, M.; Tranquada, J. M.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Freeman, PG (reprint author), Inst Max Von Laue Paul Langevin, F-38042 Grenoble 9, France. EM freeman@ill.fr RI Tranquada, John/A-9832-2009; Enderle, Mechthild/E-8832-2014; Freeman, Paul/F-5372-2014 OI Tranquada, John/0000-0003-4984-8857; Enderle, Mechthild/0000-0001-7304-2162; Freeman, Paul/0000-0002-5376-8940 NR 36 TC 3 Z9 3 U1 0 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD MAR 12 PY 2008 VL 20 IS 10 AR 104229 DI 10.1088/0953-8984/20/10/104229 PG 7 WC Physics, Condensed Matter SC Physics GA 275VU UT WOS:000254101000030 ER PT J AU Peng, RL Wang, YD Nie, ZH Oliver, EC Johansson, S Liu, YD Ren, Y Jorgensen, JD Fieramosca, J AF Peng, R. Lin Wang, Y. D. Nie, Z. H. Oliver, E. C. Johansson, S. Liu, Y. D. Ren, Y. Jorgensen, J. D. Fieramosca, J. TI In situ neutron diffraction study of micromechanical interactions and phase transformation in Ni-Mn-Ga alloy under uniaxial and hydrostatic stress SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 4th European Conference on Neutron Scattering CY JUN, 2007 CL Lund, SWEDEN ID NI2MNGA SINGLE-CRYSTALS; SHAPE-MEMORY ALLOYS AB This paper deals with the experimental study of stress-induced phase transformation in a polycrystalline Ni-Mn-Ga alloy under uniaxial compression and its powder under hydrostatic compression. In situ neutron diffraction experiments were employed to follow changes in the structure and lattice strains caused by the applied stresses. Large lattice strains that are dependent on the lattice planes or grain orientations were observed in the parent Heusler phase for both the bulk material and the powder sample. The development of such anisotropic strains and the influence of external load conditions are discussed in the paper. C1 [Peng, R. Lin; Johansson, S.] Linkoping Univ, Dept Management & Engn, S-58183 Linkoping, Sweden. [Wang, Y. D.; Nie, Z. H.; Liu, Y. D.] Northeastern Univ, Minist Educ, Key Lab Anisotropy & Texture Mat, Shenyang 110004, Peoples R China. [Oliver, E. C.] CCLRC Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England. [Ren, Y.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Fieramosca, J.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Peng, RL (reprint author), Linkoping Univ, Dept Management & Engn, S-58183 Linkoping, Sweden. RI Nie, Zhihua/G-9459-2013; wang, yandong/G-9404-2013 OI Nie, Zhihua/0000-0002-2533-933X; NR 10 TC 0 Z9 0 U1 0 U2 5 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 MAR 12 PY 2008 VL 20 IS 10 AR 104256 DI 10.1088/0953-8984/20/10/104256 PG 6 WC Physics, Condensed Matter SC Physics GA 275VU UT WOS:000254101000057 ER PT J AU Hicks, JC Drese, JH Fauth, DJ Gray, ML Qi, GG Jones, CW AF Hicks, Jason C. Drese, Jeffrey H. Fauth, Daniel J. Gray, McMahan L. Qi, Genggeng Jones, Christopher W. TI Designing adsorbents for CO(2) capture from flue gas-hyperbranched aminosilicas capable,of capturing CO(2) reversibly SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MESOPOROUS MOLECULAR-SIEVE; CARBON-DIOXIDE CAPTURE; NATURAL-GAS; SILICA; ADSORPTION; SBA-15; MCM-41; POLYETHYLENEIMINE; SEPARATION; SORBENTS AB Carbon dioxide adsorption from a simulated flue gas stream was successfully performed with a hyperbranched aminosilica (HAS) material. The HAS was synthesized by a one-step reaction, spontaneous aziridine ring-opening polymerization off of surface silanols, to form a 32 wt % organic/inorganic hybrid material. The adsorption measurements were performed in a fixed-bed flow reactor using humidified CO(2). The advantage of this adsorbent over previously reported adsorbents is the stability of the organic groups covalently bound to the silica support compared to those made by physisorbed methods. Furthermore, a large CO(2) capacity (similar to 3 mmol CO(2)/g adsorbent) associated with the high loading of amines was observed. C1 [Hicks, Jason C.; Drese, Jeffrey H.; Qi, Genggeng; Jones, Christopher W.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. [Fauth, Daniel J.; Gray, McMahan L.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Jones, CW (reprint author), Georgia Inst Technol, Sch Chem & Biomol Engn, 311 Ferst Dr, Atlanta, GA 30332 USA. EM cjones@chbe.gatech.edu RI Qi, Genggeng/D-5250-2009 OI Qi, Genggeng/0000-0001-7968-0931 NR 24 TC 414 Z9 418 U1 14 U2 174 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 MAR 12 PY 2008 VL 130 IS 10 BP 2902 EP 2903 DI 10.1021/ja077795v PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 272IZ UT WOS:000253854400010 PM 18281986 ER PT J AU Spencer, LP Yang, P Scott, BL Batista, ER Boncella, JM AF Spencer, Liam P. Yang, Ping Scott, Brian L. Batista, Enrique R. Boncella, James M. TI Imido exchange in bis(imido) uranium(VI) complexes with aryl isocyanates SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID COORDINATION CHEMISTRY; DIMOLYBDENUM CENTER; URANYL-ION; LIGAND; TITANIUM; ANALOGS; ACTINIDES; BONDS; OXO AB Addition of 1 and 2 equiv of ArNCO (Ar=Ph, 2,4,6-Me(3)C(6)H(2)) to U(NtBu)(2)(I)(2)(OPPh(3))(2) yields the aryl-imido complexes U(NAr)(NtBu)(I)(2)(OPPh(3))(2) and U(NAr)(2)(I)(2)(OPPh(3))(2), respectively. Unlike analogous transition metal reactions this imido exchange reaction does not proceed through a metal oxo intermediate. Density functional theory calculations and 15N-labeling studies suggest this transformation involves the [2 + 2] cycloaddition of the aryl isocyanate C=N bond across the U=N imido ligand to form an N,N-bound ureato intermediate. C1 [Yang, Ping; Batista, Enrique R.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Spencer, Liam P.; Scott, Brian L.; Boncella, James M.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Batista, ER (reprint author), Los Alamos Natl Lab, Div Theoret, MS B268, Los Alamos, NM 87545 USA. EM erb@lanl.gov; boncella@lanl.gov RI Yang, Ping/E-5355-2011; Scott, Brian/D-8995-2017; OI Scott, Brian/0000-0003-0468-5396; Yang, Ping/0000-0003-4726-2860; Boncella, James/0000-0001-8393-392X NR 19 TC 48 Z9 48 U1 0 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 MAR 12 PY 2008 VL 130 IS 10 BP 2930 EP 2931 DI 10.1021/ja7107454 PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 272IZ UT WOS:000253854400024 PM 18271590 ER PT J AU Hu, C Noll, BC Piccoli, PMB Schultz, AJ Schulz, CE Scheidt, WR AF Hu, Chuanjiang Noll, Bruce C. Piccoli, Paula M. B. Schultz, Arthur J. Schulz, Charles E. Scheidt, W. Robert TI Hydrogen bonding effects on the electronic configuration of five-coordinate high-spin iron(II) porphyrinates SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID HORSERADISH-PEROXIDASE; CRYSTAL-STRUCTURE; COMPOUND-I; NEUTRON-DIFFRACTION; HEME-PROTEINS; SPECTROSCOPIC PROPERTIES; DEOXYMYOGLOBIN MODEL; PROXIMAL HISTIDINE; SYNTHETIC ANALOGS; AXIAL IMIDAZOLE AB The characterization of a new five-coordinate derivative of (2-methylimidazole)(tetraphenylporphinato)iron(II) provides new and unique information about the effects of forming a hydrogen bond to the coordinated imidazole on the geometric and electronic structure of iron in these species. The complex studied has two crystallographically distinct iron sites; one site has an axial imidazole ligand modified by an external hydrogen bond, and the other site has an axial imidazole ligand with no external interactions. The iron atoms at the two sites have distinct geometric features, as revealed in their molecular structures, and distinct electronic structures, as shown by Mossbauer spectroscopy, although both are high spin (S = 2). The molecule with the external hydrogen bond has longer equatorial Fe-N-p bonds, a larger displacement of the iron atom out of the porphyrin plane, and a shorter axial bond compared to its counterpart with no hydrogen bonding. The Mossbauer features are distinct for the two sites, with differing quadrupole splitting and isomer shift values and probably differing signs for the quadrupole splitting as shown by variable-temperature measurements in applied magnetic field. These features are consistent with a significant change in the nature of the doubly populated d orbital and are all in the direction of the dichotomy displayed by related imidazole and imidazolate species where deprotonation leads to major differences. The results points out the possible effects of strong hydrogen bonding in heme proteins. C1 [Schulz, Charles E.] Knox Coll, Dept Phys, Galesburg, IL 61401 USA. [Piccoli, Paula M. B.; Schultz, Arthur J.] Argonne Natl Lab, Div Intense Pulsed Neutron Source, Argonne, IL 60439 USA. [Hu, Chuanjiang; Noll, Bruce C.; Scheidt, W. Robert] Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA. RP Schulz, CE (reprint author), Knox Coll, Dept Phys, Galesburg, IL 61401 USA. EM scheidt.1@nd.edu FU NIGMS NIH HHS [GM-38401, R01 GM038401, R01 GM038401-34, R01 GM038401-35] NR 64 TC 29 Z9 29 U1 1 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 MAR 12 PY 2008 VL 130 IS 10 BP 3127 EP 3136 DI 10.1021/ja0782221 PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 272IZ UT WOS:000253854400056 PM 18271587 ER PT J AU Laskin, J Yang, Z Chu, IK AF Laskin, Julia Yang, Zhibo Chu, Ivan K. TI Energetics and dynamics of electron transfer and proton transfer in dissociation of metalIII(salen)-peptide complexes in the gas phase SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID SURFACE-INDUCED DISSOCIATION; ION-CYCLOTRON RESONANCE; IONIZATION MASS-SPECTROMETRY; COLLISION-INDUCED DISSOCIATION; MOLECULAR RADICAL CATIONS; FRAGMENTATION ENERGETICS; COORDINATION-COMPOUNDS; CAPTURE DISSOCIATION; TERNARY COMPLEXES; PEPTIDE RADICALS AB Time- and collision energy-resolved surface-induced dissociation (SID) of ternary complexes of Co-III(salen)(+), Fe-III(salen)(+), and Mn-III(salen)(+) with several angiotensin peptide analogues was studied using a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) specially equipped to perform SID experiments. Time-resolved fragmentation efficiency curves (TFECs) were modeled using an RRKM-based approach developed in our laboratory. The approach utilizes a very flexible analytical expression for the internal energy deposition function that is capable of reproducing both single-collision and multiplecollision activation in the gas phase and excitation by collisions with a surface. The energetics and dynamics of competing dissociation pathways obtained from the modeling provides important insight on the competition between proton transfer, electron transfer, loss of neutral peptide ligand, and other processes that determine gas-phase fragmentation of these model systems. Similar fragmentation behavior was obtained for various Co-III(salen)-peptide systems of different angiotensin analogues. In contrast, dissociation pathways and relative stabilities of the complexes changed dramatically when cobalt was replaced with trivalent iron or manganese. We demonstrate that the electron-transfer efficiency is correlated with redox properties of the metal(III)(salen) complexes (Co > Fe > Mn), while differences in the types of fragments formed from the complexes reflect differences in the modes of binding between the metal-salen complex and the peptide ligand. RRKM modeling of time- and collision-energy-resolved SID data suggests that the competition between proton transfer and electron transfer during dissociation of Co-III(salen)-peptide complexes is mainly determined by differences in entropy effects while the energetics of these two pathways are very similar. C1 [Laskin, Julia; Yang, Zhibo] Pacific NW Natl Lab, Fundamental Sci Div, Richland, WA 99352 USA. [Chu, Ivan K.] Univ Hong Kong, Dept Chem, Hong Kong, Hong Kong, Peoples R China. RP Laskin, J (reprint author), Pacific NW Natl Lab, Fundamental Sci Div, Richland, WA 99352 USA. EM Julia.Laskin@pnl.gov; ivankchu@hku.hk RI Yang, Zhibo/E-4088-2010; Laskin, Julia/H-9974-2012 OI Laskin, Julia/0000-0002-4533-9644 NR 62 TC 42 Z9 42 U1 2 U2 14 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 MAR 12 PY 2008 VL 130 IS 10 BP 3218 EP 3230 DI 10.1021/ja077690s PG 13 WC Chemistry, Multidisciplinary SC Chemistry GA 272IZ UT WOS:000253854400064 PM 18266367 ER PT J AU Elhadj, S Chernov, AA De Yoreo, JJ AF Elhadj, Selim Chernov, Alexander A. De Yoreo, James J. TI Solvent-mediated repair and patterning of surfaces by AFM SO NANOTECHNOLOGY LA English DT Article ID DIP-PEN NANOLITHOGRAPHY; ATOMIC-FORCE MICROSCOPY; AMBIENT-TEMPERATURES; MENISCUS FORMATION; ADSORBED WATER; STEP MOVEMENTS; NANOSTRUCTURES; TEMPLATES; GROWTH; ADSORPTION AB A tip-based approach to shaping surfaces of soluble materials with nanometer-scale control is reported. The proposed method can be used, for example, to eliminate defects and inhomogeneities in surface shape, repair mechanical or laser induced damage to surfaces, or perform 3D lithography on the length scale of an AFM tip. The phenomenon that enables smoothing and repair of surfaces is based on the transport of material from regions of high to low curvature within the solution meniscus formed in a solvent-containing atmosphere between the surface in question and an AFM tip scanned over the surface. Using in situ AFM measurements of the kinetics of surface remodeling on KDP (KH(2)PO(4)) crystals in humid air, we show that redistribution of solute material during relaxation of grooves and mounds is driven by a reduction in surface free energy as described by the Gibbs-Thomson law. We find that the perturbation from a flat interface evolves according to the diffusion equation, where the effective diffusivity is determined by the product of the surface stiffness and the step kinetic coefficient. We also show that, surprisingly, if the tip is instead scanned over or kept stationary above an atomically flat area of the surface, a convex structure is formed, with a diameter that is controlled by the dimensions of the meniscus, indicating that the presence of the tip and meniscus reduces the substrate chemical potential beneath that of the free surface. This allows one to create nanometer-scale 3D structures of arbitrary shape without the removal of substrate material or the use of extrinsic masks or chemical compounds. Potential applications of these tip-based phenomena are discussed. C1 [Elhadj, Selim; Chernov, Alexander A.; De Yoreo, James J.] Lawrence Livermore Natl Lab, Dept Chem Mat Earth & Life Sci, Livermore, CA 94550 USA. RP Elhadj, S (reprint author), Lawrence Livermore Natl Lab, Dept Chem Mat Earth & Life Sci, 7000 East Ave, Livermore, CA 94550 USA. EM elhadj2@llnl.gov; JJDeYoreo@lbl.gov NR 47 TC 5 Z9 6 U1 1 U2 19 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0957-4484 J9 NANOTECHNOLOGY JI Nanotechnology PD MAR 12 PY 2008 VL 19 IS 10 AR 105304 DI 10.1088/0957-4484/19/10/105304 PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA 276WI UT WOS:000254174000006 PM 21817697 ER PT J AU Pinnaduwage, LA Boiadjiev, VI Hawk, JE Gehl, AC Fernando, GW Wijewardhana, LCR AF Pinnaduwage, Lal A. Boiadjiev, Vassil I. Hawk, John E. Gehl, Anthony C. Fernando, Gayanath W. Wijewardhana, L. C. Rohana TI An energy conservation approach to adsorbate-induced surface stress and the extraction of binding energy using nanomechanics SO NANOTECHNOLOGY LA English DT Article ID MICROCANTILEVER SENSORS; ALKYL MONOLAYERS; TRINITROTOLUENE; FREQUENCY; SILICON; SOLIDS; SHIFT; FILMS; GOLD AB Surface stress induced by molecular adsorption in three different binding processes has been studied experimentally using a microcantilever sensor. A comprehensive free-energy analysis based on an energy conservation approach is proposed to explain the experimental observations. We show that when guest molecules bind to atoms/molecules on a microcantilever surface, the released binding energy is retained in the host surface, leading to a metastable state where the excess energy on the surface is manifested as an increase in surface stress leading to the bending of the microcantilever. The released binding energy appears to be almost exclusively channeled to the surface energy, and energy distribution to other channels, including heat, appears to be inactive for this micromechanical system. When this excess surface energy is released, the microcantilever relaxes back to the original state, and the relaxation time depends on the particular binding process involved. Such vapor phase experiments were conducted for three binding processes: physisorption, hydrogen bonding, and chemisorption. Binding energies for these three processes were also estimated. C1 [Pinnaduwage, Lal A.; Boiadjiev, Vassil I.; Hawk, John E.; Gehl, Anthony C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Pinnaduwage, Lal A.; Gehl, Anthony C.] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. [Fernando, Gayanath W.] Univ Connecticut, Dept Phys, Storrs, CT 06269 USA. [Wijewardhana, L. C. Rohana] Univ Cincinnati, Dept Phys, Cincinnati, OH 45221 USA. RP Pinnaduwage, LA (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. OI Gehl, Anthony/0000-0002-4841-403X NR 32 TC 7 Z9 7 U1 0 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0957-4484 J9 NANOTECHNOLOGY JI Nanotechnology PD MAR 12 PY 2008 VL 19 IS 10 AR 105501 DI 10.1088/0957-4484/19/10/105501 PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA 276WI UT WOS:000254174000008 PM 21817699 ER PT J AU Li, T Schultz, I Keys, DA Campbell, JL Fisher, JW AF Li, Ting Schultz, Irv Keys, Deborah A. Campbell, Jerry L. Fisher, Jeffrey W. TI Quantitative evaluation of dichloroacetic acid kinetics in human - a physiologically based pharmacokinetic modeling investigation SO TOXICOLOGY LA English DT Article DE dichloroacetate; DCA; PBPK; GSTzeta; human ID GLUTATHIONE TRANSFERASE-ZETA; DRINKING-WATER; DOSE-RESPONSE; SODIUM DICHLOROACETATE; IODIDE UPTAKE; B6C3F1 MICE; TRICHLOROETHYLENE; INHIBITION; METABOLISM; RATS AB Dichloroacetic acid is a common disinfection by-product in surface waters and is a probable minor metabolite of trichloroethylene. Dichloroacetic acid (DCA) liver carcinogenicity has been demonstrated in rodents but epidemiological evidence in humans is not available. High doses of DCA (similar to 50 mg/kg) are used clinically to treat metabolic acidosis. Biotransformation of DCA by glutathione transferase zeta (GSTzeta) in the liver is the major elimination pathway in humans. GSTzeta is also inactivated by DCA, leading to slower systemic clearance and nonlinear pharmacokinetics after multiple doses. A physiologically based pharmacokinetic (PBPK) model was developed to quantitatively describe DCA biotransformation and kinetics in humans administered DCA by intravenous infusion and oral ingestion. GSTzeta metabolism was described using a Michaelis-Menten equation coupled with rate constants to account for normal GSTzeta synthesis, degradation and irreversible covalent binding and inhibition by the glutathione-bound-DCA intermediate. With some departures between observation and model prediction, the human DCA PBPK model adequately predicted the DCA plasma kinetics over a 20,000-fold range in administered doses. Apparent inhibition of GSTzeta mediated metabolism of DCA was minimal for low doses of DCA (mu g/kg day), but was significant for therapeutic doses of DCA. Plasma protein binding of DCA was assumed to be an important factor influencing the kinetics of low doses of DCA (mu g/kg day). Polymorphisms of GSTzeta may help explain inter-individual variability in DCA plasma kinetics and warrants evaluation. In conclusion, using a previously published rodent DCA PBPK model (Keys, D.A., Schultz, I.R., Mahle, D.A., Fisher, J.W., 2004. A quantitative description of suicide inhibition of dichloroacetic acid in rats and mice. Toxicol. Sci. 82, 381-393) and this human DCA PBPK model, human equivalent doses (HEDs) were calculated for a 10% increase in mice hepatic liver cancer (2.1 mg/kg day). The HEDs for the dosimetrics, area-under-the-concentration-curve (AUC) for total and free DCA in plasma, AUC of DCA in liver and amount of DCA metabolized per day were 0.02, 0.1, 0.1 and 1.0 mg/kg day, respectively. Research on the mechanism of action of DCA and the relevance of mouse liver cancer is needed to better understand which dosimetric may be appropriate for extrapolation from animal studies to human. (C) 2007 Elsevier Ireland Ltd. All rights reserved. C1 [Campbell, Jerry L.; Fisher, Jeffrey W.] Univ Georgia, Interdisciplinary Toxicol Program, Athens, GA 30602 USA. [Li, Ting] Univ Georgia, Dept Pharmaceut & Biomed Sci, Athens, GA 30602 USA. [Schultz, Irv] Battelle Pacific NW Div, Sequim, WA 98382 USA. [Keys, Deborah A.] Stat & Modeling Supporting Informed Decis, Athens, GA 30606 USA. RP Fisher, JW (reprint author), Univ Georgia, Interdisciplinary Toxicol Program, N124 Paul D Coverdell Ctr, Athens, GA 30602 USA. EM jwfisher.uga@gmail.com NR 41 TC 6 Z9 6 U1 1 U2 8 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0300-483X J9 TOXICOLOGY JI Toxicology PD MAR 12 PY 2008 VL 245 IS 1-2 BP 35 EP 48 DI 10.1016/j.tox.2007.12.010 PG 14 WC Pharmacology & Pharmacy; Toxicology SC Pharmacology & Pharmacy; Toxicology GA 285GE UT WOS:000254764500005 PM 18242812 ER PT J AU Merdink, JL Robison, LM Stevens, DK Hu, M Parker, JC Bull, RJ AF Merdink, J. L. Robison, L. M. Stevens, D. K. Hu, M. Parker, J. C. Bull, R. J. TI Kinetics of chloral hydrate and its metabolites in male human volunteers SO TOXICOLOGY LA English DT Article DE chloral hydrate; trichloroacetic acid; trichloroethanol; metabolism; pharmacokinetics; human study; individual variation ID B6C3F1 MICE; TRICHLOROACETIC-ACID; DICHLOROACETIC ACID; SPECIES-DIFFERENCES; MOLECULAR PATHOGENESIS; RAS PROTOONCOGENE; GILBERTS-SYNDROME; LIVER-TUMORS; TRICHLOROETHYLENE; CARCINOGENICITY AB Chloral hydrate (CH) is a short-lived intermediate in the metabolism of trichloroethylene (TRI). TRI, CH, and two common metabolites, trichloroacetic acid (TCA) and dichloroacetic acid (DCA) have been shown to be hepatocarcinogenic in mice. To better understand the pharmacokinetics of these metabolites of TRI in humans, eight male volunteers, aged 24-39, were administered single doses of 500 or 1500mg or a series of three doses of 500 mg given at 48 h intervals, in three separate experiments. Blood and urine were collected over a 7-day period and CH, DCA, TCA, free trichloroethanol (f-TCE), and total trichloroethanol (T-TCE = trichloroethanol and trichloroethanol-glucuronide [TCE-G]) were measured. DCA was detected in blood and urine only in trace quantities (<2 mu M). TCA, on the other hand, had the highest plasma concentration and the largest AUC of any metabolite. The TCA elimination curve displayed an unusual concentration-time profile that contained three distinct compartments within the 7-day follow-up period. Previous work in rats has shown that the complex elimination curve for TCA results largely from the enterohepatic circulation of TCE-G and its subsequent conversion to TCA. As a result TCA had a very long residence time and this, in turn, led to a substantial enhancement of peak concentrations following the third dose in the multiple dose experiment. Approximately 59% of the AUC of plasma TCA following CH administration is produced via the enterohepatic circulation of TCE-G. The AUC for f-TCE was found to be positively correlated with serum bilirubin concentrations. This effect was greatest in one subject that was found to have serum bilirubin concentrations at the upper limit of the normal range in all three experiments. The AUC of f-TCE in the plasma of this individual was consistently about twice that of the other seven subjects. The kinetics of the other metabolites of CH was not significantly modified in this individual. These data indicate that individuals with a more impaired capacity for glucuronidation may be very sensitive to the central nervous system depressant effects of high doses of CH, which are commonly attributed to plasma levels of f-TCE. (C) 2008 Elsevier Ireland Ltd. All rights reserved. C1 [Merdink, J. L.] Washington State Univ, Grad Program Pharmacol Toxicol, Pullman, WA 99164 USA. [Robison, L. M.; Stevens, D. K.; Hu, M.] Washington State Univ, Coll Pharm, Pullman, WA 99164 USA. [Parker, J. C.] US EPA, Natl Ctr Hlth & Environm Assessment, Washington, DC USA. [Bull, R. J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Bull, RJ (reprint author), 1928 Meadows Dr N, Richland, WA 99352 USA. EM rjbull@earthlink.net NR 45 TC 20 Z9 21 U1 0 U2 4 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0300-483X J9 TOXICOLOGY JI Toxicology PD MAR 12 PY 2008 VL 245 IS 1-2 BP 130 EP 140 DI 10.1016/j.tox.2007.12.018 PG 11 WC Pharmacology & Pharmacy; Toxicology SC Pharmacology & Pharmacy; Toxicology GA 285GE UT WOS:000254764500013 PM 18243465 ER PT J AU Huang, H Meakin, P AF Huang, Hai Meakin, Paul TI Three-dimensional simulation of liquid drop dynamics within unsaturated vertical Hele-Shaw cells SO WATER RESOURCES RESEARCH LA English DT Article ID NON-HORIZONTAL SURFACES; FLOW; FRACTURES; INFILTRATION; TRANSPORT; BUBBLES; ABILITY; SOLIDS; STICK; ROCK AB A three-dimensional, multiphase fluid flow model with volume of fluid-interface tracking was developed and applied to study the multiphase dynamics of moving liquid drops of different sizes within vertical Hele-Shaw cells. The simulated moving velocities are significantly different from those obtained from a first-order analytical approximation, based on simple force-balance concepts. The simulation results also indicate that the moving drops can exhibit a variety of shapes and that the transition among these different shapes is largely determined by the moving velocities. More important, there is a transition from a linear moving regime at small capillary numbers, in which the capillary number scales linearly with the Bond number, to a nonlinear moving regime at large capillary numbers, in which the moving drop releases a train of droplets from its trailing edge. The train of droplets forms a variety of patterns at different moving velocities. C1 [Huang, Hai; Meakin, Paul] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Huang, H (reprint author), Idaho Natl Lab, POB 1625,MS 2025, Idaho Falls, ID 83415 USA. EM hai.huang@inl.gov NR 36 TC 5 Z9 5 U1 1 U2 7 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 MAR 12 PY 2008 VL 44 IS 3 AR W03411 DI 10.1029/2007WR006158 PG 10 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA 276UV UT WOS:000254169900003 ER PT J AU Deng, XB Tao, JZ Yang, XJ Ma, H Richardson, JW Zhao, XH AF Deng, Xuebin Tao, Juzhou Yang, Xiaojing Ma, Hui Richardson, James W., Jr. Zhao, Xinhua TI Novel trigonal ZrWMoO8 structure and its transformations SO CHEMISTRY OF MATERIALS LA English DT Article ID NEGATIVE THERMAL-EXPANSION; MATERIAL CUBIC ZRMO2O8; PHASE-TRANSITIONS; ZRW2O8; POLYMORPH; REFINEMENT; CHEMISTRY; HFW2O8 AB We found two new trigonal polymorphs of cubic ZrWMoO8 with a negative thermal expansion property and successfully solved and refined their structures using X-ray and/or neutron powder diffraction data. The space group of low temperature trigonal ZrWMoO8 is R (3) over bar with cell parameters a = 9.8722(1) angstrom and c = 17.5455(2) angstrom, a polytype of the layered trigonal ZrMo2O8 structure. The space group of high temperature trigonal ZrWMoO8 is P (3) over bar ml, and the cell parameters are a = 5.8404(1) angstrom and c = 6.0671(2) angstrom. The thermal expansion and phase transition properties of the trigonal and cubic phases were also studied, and consistent structure-property correlation in this system was found. The phase transitions between two forms of trigonal phases and between high temperature trigonal and cubic phases are reversible first order phase transitions. Utilizing the established polymorphous phase transitions, tailorable synthesis of solid oxide materials with controllable thermal expansion property is anticipated in this family. C1 [Tao, Juzhou; Richardson, James W., Jr.] Argonne Natl Lab, Argonne, IL USA. [Deng, Xuebin; Yang, Xiaojing; Zhao, Xinhua] Beijing Normal Univ, Coll Chem, Beijing 100875, Peoples R China. [Ma, Hui] Beijing Normal Univ, Anal & Test Ctr, Beijing 100875, Peoples R China. [Tao, Juzhou] Chinese Acad Sci, Inst High Energy Phys, Expt Phys Ctr, Beijing 100049, Peoples R China. RP Tao, JZ (reprint author), Argonne Natl Lab, Argonne, IL USA. EM xinhuaz@bnu.edu.cn RI Yang, Xiaojing/A-8229-2012 OI Yang, Xiaojing/0000-0003-3620-3507 NR 34 TC 6 Z9 7 U1 0 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD MAR 11 PY 2008 VL 20 IS 5 BP 1733 EP 1740 DI 10.1021/cm071605y PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 270NL UT WOS:000253727400018 ER PT J AU Asnes, A Friedel, RWH Lavraud, B Reeves, GD Taylor, MGGT Daly, P AF Asnes, A. Friedel, R. W. H. Lavraud, B. Reeves, G. D. Taylor, M. G. G. T. Daly, P. TI Statistical properties of tail plasma sheet electrons above 40 keV SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID ENERGETIC PARTICLE SPECTROMETER; EARTHS OUTER MAGNETOSPHERE; DISTANT MAGNETOTAIL; SOLAR-WIND; SPECTRAL CHARACTERISTICS; GEOMAGNETIC CONDITIONS; SPATIAL-DISTRIBUTION; ION; CLUSTER; POPULATIONS AB We use data from four tail seasons ( 2001 - 2004) of the Cluster spacecraft to study statistical features of energetic electrons ( 40 - 400 keV) in the magnetotail plasma sheet in combination with plasma parameters and indices of geomagnetic activity. We find that the horizontal magnetic field magnitude best orders the energetic electron observations. Using this method we observe a statistical flux gradient toward the neutral sheet. The fluxes also increase with an increase in the vertical magnetic field component ( dipolarization). The intensity of supra-thermal electrons is observed to increase strongly as function of plasma temperature. Although the energetic electron fluxes also appear to increase strongly with geomagnetic activity this is found to be mainly due to the increase in plasma temperature with increasing Kp. Investigation of neutral sheet fluxes and phase space densities at fixed first adiabatic invariant ( m) indicates that adiabatic heating can explain observed flux increases during field dipolarization. The spectral slope in the supra-thermal range is observed to be independent of geomagnetic activity ( Kp), while there is a significant local time dependence, with harder spectra observed at dawn compared to the dusk side. C1 [Asnes, A.; Friedel, R. W. H.; Lavraud, B.; Reeves, G. D.] Los Alamos Natl Lab, Los Alamos, NM USA. [Asnes, A.; Taylor, M. G. G. T.] ESTEC, NL-2200 AG Noordwijk, Netherlands. [Daly, P.] Max Planck Inst Solar Syst Res, D-37191 Katlenburg Lindau, Germany. RP Asnes, A (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. EM aasnes@rssd.esa.int; friedel@lanl.gov; lavraud@lanl.gov; reeves@lanl.gov; matt.taylor@esa.int; daly@linmpi.mpg.de RI Friedel, Reiner/D-1410-2012; Reeves, Geoffrey/E-8101-2011 OI Friedel, Reiner/0000-0002-5228-0281; Reeves, Geoffrey/0000-0002-7985-8098 NR 51 TC 21 Z9 21 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 MAR 11 PY 2008 VL 113 IS A3 AR A03202 DI 10.1029/2007JA012502 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 276UL UT WOS:000254168700002 ER PT J AU Huang, Z Alonzo, J Liu, M Ji, H Yin, F Smith, GD Mays, JW Kilbey, SM Dadmun, MD AF Huang, Zhenyu Alonzo, Jose Liu, Ming Ji, Haining Yin, Fang Smith, Grant D. Mays, Jimmy W. Kilbey, S. Michael, II Dadmun, Mark D. TI Impact of solvent quality on the density profiles of looped triblock copolymer brushes by neutron reflectivity measurements SO MACROMOLECULES LA English DT Article ID ADSORBED DIBLOCK COPOLYMERS; GRAFTED POLYMER BRUSH; BLOCK COPOLYMERS; MONTE-CARLO; ADSORPTION; LAYERS; POLYSTYRENE; CHAINS; INTERFACE; FORCES AB Preferential adsorption of poly(2-vinylpyridine)-deuterated polystyrene-poly(2-vinylpyridine) (PVP-dPS-PVP) triblock copolymers from toluene onto silicon leads to the formation of dPS loops tethered by the PVP end blocks. Using neutron reflectometry, we have determined the segment density profiles of these looped polymer brushes in toluene, a good solvent for the dPS block, and in cyclohexane at 20 degrees C (poor solvent), 32 degrees C, (near-Theta solvent), and 50 degrees C (marginal solvent). While the swelling behavior qualitatively agrees with that observed for singly grafted brushes, there are interesting differences in the local structural details: In a good solvent, the segment density profiles are composed of an inner parabolic region and a long, extended tail. In cyclohexane, the profiles are described by exponential decays. We ascribe these features to a novel polydispersity effect that arises due to tethering the PS loops by both ends. The results also show that the less dense layers undergo more significant changes in swollen height as solvent quality is changed and that the looped brushes of different molecular weight, asymmetry, and tethering density adhere to scaling relationships derived for lightly cross-linked polymer gels. C1 [Huang, Zhenyu; Liu, Ming; Ji, Haining; Mays, Jimmy W.; Dadmun, Mark D.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Mays, Jimmy W.; Dadmun, Mark D.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Yin, Fang; Smith, Grant D.] Univ Utah, Dept Chem Engn, Salt Lake City, UT 84112 USA. [Yin, Fang; Smith, Grant D.] Univ Utah, Dept Mat Sci & Engn, Salt Lake City, UT 84112 USA. [Alonzo, Jose; Kilbey, S. Michael, II] Clemson Univ, Dept Chem & Biomol Engn, Clemson, SC 29634 USA. RP Dadmun, MD (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. NR 57 TC 13 Z9 13 U1 0 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD MAR 11 PY 2008 VL 41 IS 5 BP 1745 EP 1752 DI 10.1021/ma702179x PG 8 WC Polymer Science SC Polymer Science GA 270NS UT WOS:000253728100026 ER PT J AU Watanabe, T Arakawa, H Kajimoto, T Iwamoto, Y Satoh, D Kunieda, S Noda, S Shigyo, N Ishibashi, K Nakamura, T Haight, RC AF Watanabe, T. Arakawa, H. Kajimoto, T. Iwamoto, Y. Satoh, D. Kunieda, S. Noda, S. Shigyo, N. Ishibashi, K. Nakamura, T. Haight, R. C. TI Performance of a phoswich detector composed of an inner NaI(T1) crystal and surrounding NE102A plastic scintillator for neutron spectrometry SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE reversed-type phoswich detector; full energy-deposition fraction; pulse-shape discrimination; recoil-proton method; neutron spectrometry; PHITS AB We have developed a phoswich detector for neutron spectrometry, which adopts a reversed configuration of slow- and fast-decay-time scintillators in its inner and surrounding outer regions, respectively, in the detection of recoil protons from a hydrogenous radiator. The phoswich detector consists of an inner slow, NaI(T1) scintillator, and an outer fast, plastic scintillator. This configuration allows us to discriminate protons of full kinetic-energy deposition only in the NaI(T1) scintillator and those not stopping in the inner scintillator. The response functions of the phoswich detector were measured for neutron energies ranging from 100 to 350 MeV. The experiment used the recoil-proton method and pulse-shape discrimination with the two-gate integration technique using a spallation neutron source at the WNR facility of the Los Alamos Neutron Science Center (LANSCE). The experimental results were consistent with calculations by the Particle and Heavy Ion Transport code System (PHITS). To evaluate the effectiveness of the phoswich configuration, full energy-deposition fraction was calculated. This fraction is defined as the ratio of the integration around the full-energy peak to that of the entire energy region. The calculation confirmed that the phoswich detector with a reversed configuration is useful for neutron measurements. (C) 2008 Elsevier B.V. All rights reserved. C1 [Watanabe, T.; Arakawa, H.; Kajimoto, T.; Iwamoto, Y.; Satoh, D.; Kunieda, S.; Noda, S.; Shigyo, N.; Ishibashi, K.] Kyushu Univ, Dept Appl Quantum Phys & Nucl Engn, Nishi Ku, Fukuoka 8190395, Japan. [Nakamura, T.] Tohoku Univ, Ctr Cyclotron & Radioisotope, Aoba Ku, Sendai, Miyagi 9808579, Japan. [Haight, R. C.] Los Alamos Natl Lab, LANSCE NS, Los Alamos, NM 87545 USA. RP Watanabe, T (reprint author), Kyushu Univ, Dept Appl Quantum Phys & Nucl Engn, Nishi Ku, 744 Motooka, Fukuoka 8190395, Japan. EM watanabe@kune2a.nucl.kyushu-u.ac.jp RI Iwamoto, Yosuke/G-5959-2012 NR 14 TC 0 Z9 0 U1 1 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 MAR 11 PY 2008 VL 587 IS 1 BP 20 EP 28 DI 10.1016/j.nima.2008.01.001 PG 9 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 286BH UT WOS:000254819800004 ER PT J AU Acosta-Kane, D Acciarri, R Amaize, O Antonello, M Baibussinov, B Ceolin, MB Ballentine, CJ Bansal, R Basgall, L Bazarko, A Benetti, P Benziger, J Burgers, A Calaprice, F Calligarich, E Cambiaghi, M Canci, N Carbonara, F Cassidy, M Cavanna, F Centro, S Chavarria, A Cheng, D Cocco, AG Collon, P Dalnoki-Veress, F de Haas, E Di Pompeo, F Fiorillo, G Fitch, F Gallo, V Galbiati, C Gaull, M Gazzana, S Grandi, L Goretti, A Highfill, R Highfill, T Hohman, T Ianni, A Ianni, A LaCava, A Laubenstein, M Lee, HY Leung, M Loer, B Loosli, HH Lyons, B Marks, D McCarty, K Meng, G Montanari, C Mukhopadhyay, S Nelson, A Palamara, O Pandola, L Pietropaolo, F Pivonka, T Pocar, A Purtschert, R Rappoldi, A Raselli, G Resnati, F Robertson, D Roncadelli, M Rossella, M Rubbia, C Ruderman, J Saldanha, R Schmitt, C Scott, R Segreto, E Shirley, A Szelc, AM Tartaglia, R Tesileanu, T Ventura, S Vignoli, C Visnjic, C Vondrasek, R Yushkov, A AF Acosta-Kane, D. Acciarri, R. Amaize, O. Antonello, M. Baibussinov, B. Ceolin, M. Baldo Ballentine, C. J. Bansal, R. Basgall, L. Bazarko, A. Benetti, P. Benziger, J. Burgers, A. Calaprice, F. Calligarich, E. Cambiaghi, M. Canci, N. Carbonara, F. Cassidy, M. Cavanna, F. Centro, S. Chavarria, A. Cheng, D. Cocco, A. G. Collon, P. Dalnoki-Veress, F. de Haas, E. Di Pompeo, F. Fiorillo, G. Fitch, F. Gallo, V. Galbiati, C. Gaull, M. Gazzana, S. Grandi, L. Goretti, A. Highfill, R. Highfill, T. Hohman, T. Ianni, Al. Ianni, An. LaCava, A. Laubenstein, M. Lee, H. Y. Leung, M. Loer, B. Loosli, H. H. Lyons, B. Marks, D. McCarty, K. Meng, G. Montanari, C. Mukhopadhyay, S. Nelson, A. Palamara, O. Pandola, L. Pietropaolo, F. Pivonka, T. Pocar, A. Purtschert, R. Rappoldi, A. Raselli, G. Resnati, F. Robertson, D. Roncadelli, M. Rossella, M. Rubbia, C. Ruderman, J. Saldanha, R. Schmitt, C. Scott, R. Segreto, E. Shirley, A. Szelc, A. M. Tartaglia, R. Tesileanu, T. Ventura, S. Vignoli, C. Visnjic, C. Vondrasek, R. Yushkov, A. TI Discovery of underground argon with low level of radioactive Ar-39 and possible applications to WIMP dark matter detectors SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE dark matter; low background detectors; cryogenic noble gases ID LIQUID ARGON; ADSORPTION; NITROGEN AB We report oil the first measurement of Ar-39 in argon from underground natural gas reservoirs. The gas stored in the US National Helium Reserve was found to contain a low level of Ar-39. The ratio of 39Ar to stable argon was measured to be <= 4 x 10(-17) (84% C.L.), less than 5% the value in atmospheric argon (Ar-39/Ar = 8 x 10(-16)). The total quantity of argon currently stored in the National Helium Reserve is estimated at 1000 tons. 39Ar represents one of the most important backgrounds in argon detectors for WIMP dark matter searches. The findings reported demonstrate the possibility of constructing large multi-ton argon detectors with low radioactivity suitable for WIMP dark matter searches. (C) 2007 Elsevier B.V. All rights reserved. C1 [Acosta-Kane, D.; Amaize, O.; Burgers, A.; Calaprice, F.; Chavarria, A.; Cheng, D.; Dalnoki-Veress, F.; de Haas, E.; Galbiati, C.; Gaull, M.; Goretti, A.; Hohman, T.; Ianni, An.; Leung, M.; Loer, B.; Lyons, B.; Marks, D.; McCarty, K.; Nelson, A.; Ruderman, J.; Saldanha, R.; Tesileanu, T.; Visnjic, C.] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. [Benziger, J.] Princeton Univ, Dept Engn, Princeton, NJ 08544 USA. [Gazzana, S.; Grandi, L.; Ianni, Al.; Laubenstein, M.; Palamara, O.; Pandola, L.; Rubbia, C.; Segreto, E.; Tartaglia, R.] Ist Nazl Fis Nucl, Lab Nazl Gran Sasso, I-67100 Laquila, Italy. [Baibussinov, B.; Ceolin, M. Baldo; Centro, S.; Meng, G.; Pietropaolo, F.; Ventura, S.] Univ Padua, Ist Nazl Fis Nucl, I-35131 Padua, Italy. [Baibussinov, B.; Ceolin, M. Baldo; Centro, S.; Meng, G.; Pietropaolo, F.; Ventura, S.] Univ Padua, Dipartimento Fis, I-35131 Padua, Italy. [LaCava, A.] Felician Coll, Lodi, NJ 07644 USA. [Bansal, R.] AirSep Corp, Buffalo, NY 14228 USA. [Basgall, L.; Highfill, R.; Highfill, T.; Pivonka, T.] Kansas Refined Helium, Otis, KS 67565 USA. [Mukhopadhyay, S.] Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA. [Bazarko, A.] Schlumberger Princeton Technol Ctr, Princeton, NJ 08550 USA. [Benetti, P.; Montanari, C.; Rappoldi, A.; Raselli, G.; Roncadelli, M.; Rossella, M.; Vignoli, C.] Univ Pavia, Ist Nazl Fis Nucl, I-27100 Pavia, Italy. [Benetti, P.; Calligarich, E.; Cambiaghi, M.; Rappoldi, A.; Raselli, G.; Roncadelli, M.; Rossella, M.; Vignoli, C.] Univ Pavia, Dipartimento Fis Nucl & Teor, I-27100 Pavia, Italy. [Ballentine, C. J.] Univ Manchester, Sch Earth Atmospher & Environm Sci, Manchester M13 9PL, Lancs, England. [Carbonara, F.; Cocco, A. G.; Fiorillo, G.; Gallo, V.; Yushkov, A.] Univ Naples Federico 2, Ist Nazl Fis Nucl, I-80216 Naples, Italy. [Carbonara, F.; Cocco, A. G.; Fiorillo, G.; Gallo, V.; Yushkov, A.] Univ Naples Federico 2, Dipartimento Sci Fis, I-80216 Naples, Italy. [Acciarri, R.; Antonello, M.; Canci, N.; Cavanna, F.; Di Pompeo, F.; Szelc, A. M.] Univ Aquila, Ist Nazl Fis Nucl, I-67100 Laquila, Italy. [Acciarri, R.; Antonello, M.; Canci, N.; Cavanna, F.; Di Pompeo, F.; Szelc, A. M.] Univ Aquila, Dipartimento Fis, I-67100 Laquila, Italy. [Collon, P.; Robertson, D.; Schmitt, C.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Fitch, F.] Linde Engn, Murray Hill, NJ 07974 USA. [Shirley, A.] Linde Gas, Murray Hill, NJ 07974 USA. [Lee, H. Y.; Scott, R.; Vondrasek, R.] Argonne Natl Labs, Argonne, IL 60439 USA. [Loosli, H. H.; Purtschert, R.] Univ Bern, Inst Phys, CH-3012 Bern, Switzerland. [Szelc, A. M.] Inst Fizyki Jadrowej PAN, PL-31342 Krakow, Poland. [Cassidy, M.] Univ Houston, Dept Geosci, Houston, TX 77204 USA. [Pocar, A.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Resnati, F.] Univ Milano Bicocca, Ist Nazl Fis Nucl, I-20126 Milan, Italy. [Resnati, F.] Univ Milano Bicocca, Dipartimento Fis, I-20126 Milan, Italy. RP Galbiati, C (reprint author), Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. EM galbiati@Princeton.EDU; purtschert@climate.unibe.ch RI Fiorillo, Giuliana/A-2248-2012; Montanari, Claudio Silverio/J-5178-2012; Yushkov, Alexey/A-6958-2013; Laubenstein, Matthias/C-4851-2013; Purtschert, Roland/N-7108-2016; Canci, Nicola/E-7498-2017; OI Fiorillo, Giuliana/0000-0002-6916-6776; Laubenstein, Matthias/0000-0001-5390-4343; Purtschert, Roland/0000-0002-4734-7664; Canci, Nicola/0000-0002-4797-4297; Cavanna, Flavio/0000-0002-5586-9964 NR 37 TC 32 Z9 32 U1 0 U2 10 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 MAR 11 PY 2008 VL 587 IS 1 BP 46 EP 51 DI 10.1016/j.nima.2007.12.032 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 286BH UT WOS:000254819800007 ER PT J AU Campbell, DB Vetter, K Henning, R Lesko, K Chan, YD Poon, AWP Perry, M Hurley, D Smith, AR AF Campbell, D. B. Vetter, K. Henning, R. Lesko, K. Chan, Y. D. Poon, A. W. P. Perry, M. Hurley, D. Smith, A. R. TI Evaluation of radioactive background rejection in Ge-76 neutrino-less double-beta decay experiments using a highly segmented HPGe detector SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Ge-76; segmentation; neutrino-less double-beta decay; Ge detector AB A highly segmented coaxial HPGe detector was operated in a low background counting facility for over I year to experimentally evaluate possible segmentation strategies for the proposed Majorana neutrino-less double-beta decay experiment. Segmentation schemes were evaluated on their ability to reject multi-segment events while retaining single-segment events. To quantify a segmentation scheme's acceptance efficiency the percentage of peak area due to single segment events was calculated for peaks located in the energy region 911-2614keV. Single interaction site events were represented by the double-escape peak from the 2614keV decay in (TI)-T-208 located at 1592 keV. In spite of its prototypical nature, the detector performed well under realistic operating conditions and required only minimal human interaction. Though the energy resolution for events with interactions in multiple segments was impacted by inter-segment cross-talk, the implementation of a cross-talk correlation matrix restored acceptable resolution. Additionally, simulations utilizing the MaGe simulation package were performed and found to be in good agreement with experimental observations verifying the external nature of the background radiation. Published by Elsevier B.V. C1 [Campbell, D. B.; Vetter, K.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Henning, R.] Univ N Carolina, Chapel Hill, NC 27599 USA. [Lesko, K.; Chan, Y. D.; Poon, A. W. P.; Perry, M.; Hurley, D.; Smith, A. R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Perry, M.] Florida State Univ, Tallahassee, FL 32306 USA. RP Campbell, DB (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM campbell61@llnl.gov NR 15 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 MAR 11 PY 2008 VL 587 IS 1 BP 60 EP 67 DI 10.1016/j.nima.2007.11.076 PG 8 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 286BH UT WOS:000254819800009 ER PT J AU Solano, I Reichenbach, B Schwoebel, PR Chichester, DL Holland, CE Hertz, KL Brainard, JP AF Solano, I. Reichenbach, Birk Schwoebel, P. R. Chichester, D. L. Holland, C. E. Hertz, K. L. Brainard, J. P. TI Field desorption ion source development for neutron generators SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE field desorption; ion source; neutron generator; spindt arrays; active interrogation; ion emission ID CARBON-MONOXIDE; CHEMISORPTION; SURFACE AB A new approach to deuterium ion sources for deuterium-tritium neutron generators is being developed. The source is based upon the field desorption of deuterium from the surfaces of metal tips. Field desorption studies of microfabricated field emitter tip arrays have been conducted for the first time. Maximum fields of 3 V/angstrom have been applied to the array tip surfaces to date, although achieving fields of 2 V/angstrom to 2.5 V/angstrom is more typical. Both the desorption of atomic deuterium ions and the gas-phase field ionization of molecular deuterium have been observed at fields of roughly 2 and 2-3 V/angstrom, respectively, at room temperature. The desorption of common surface adsorbates such as hydrogen, carbon, water, and carbon monoxide is observed at fields exceeding similar to 1 V/angstrom. In vactio heating of the arrays to temperatures of the order of 800 degrees C can be effective in removing many of the surface contaminants observed. (C) 2007 Elsevier B.V. All rights reserved. C1 [Solano, I.; Reichenbach, Birk; Schwoebel, P. R.] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. [Schwoebel, P. R.; Holland, C. E.] SRI Int, Menlo Pk, CA 94025 USA. [Chichester, D. L.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Hertz, K. L.] Sandia Natl Labs, Livermore, CA 94551 USA. [Brainard, J. P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Solano, I (reprint author), Univ New Mexico, Dept Phys & Astron, MSC07 4220,800 Yale Blvd NE, Albuquerque, NM 87131 USA. EM sid1707@unm.edu NR 20 TC 14 Z9 14 U1 1 U2 7 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 MAR 11 PY 2008 VL 587 IS 1 BP 76 EP 81 DI 10.1016/j.nima.2007.12.015 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 286BH UT WOS:000254819800011 ER PT J AU Kouzes, RT Ely, JH Seifert, A Siciliano, ER Weller, DR Windsor, LK Woodring, ML Borgardt, J Buckley, E Flumerfelt, E Oliveri, A Salvitti, M AF Kouzes, Richard T. Ely, James H. Seifert, Allen Siciliano, Edward R. Weller, Dennis R. Windsor, Lindsay K. Woodring, Mitchell L. Borgardt, James Buckley, Elise Flumerfelt, Eric Oliveri, Anna Salvitti, Matt TI Cosmic-ray-induced ship-effect neutron measurements and implications for cargo scanning at borders SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE neutron detection; ship effect; portal monitor; radiation detection; homeland security; neutron shadow shielding ID ENERGY-SPECTRUM; FLIGHT ALTITUDES; GROUND-LEVEL; SEA-LEVEL; ATMOSPHERE; FLUX; INTENSITY AB Neutron measurements are used as part of the interdiction process for illicit nuclear materials at border crossings. Even though the natural neutron background is small, its variation can impact the sensitivity of detection systems. The natural background of neutrons that is observed in monitoring instruments arises almost entirely from cosmic-ray-induced cascades in the atmosphere and the surrounding environment. One significant Source of variation in the observed neutron background is produced by the "ship effect" in large quantities of cargo that transit past detection instruments. This paper reports on results front measurements with typical monitoring equipment of ship effect neutrons in various materials. One new result is the "neutron shadow shielding" effect seen with some low neutron density materials. (C) 2008 Elsevier B.V. All rights reserved. C1 [Kouzes, Richard T.; Ely, James H.; Seifert, Allen; Siciliano, Edward R.; Weller, Dennis R.; Windsor, Lindsay K.; Woodring, Mitchell L.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Borgardt, James; Buckley, Elise; Flumerfelt, Eric; Oliveri, Anna; Salvitti, Matt] Juniata Coll, Dept Phys, Huntingdon, PA 16652 USA. RP Kouzes, RT (reprint author), Pacific NW Natl Lab, MS K7-36,POB 999, Richland, WA 99352 USA. EM richard.kouzes@pnl.gov NR 42 TC 20 Z9 20 U1 0 U2 8 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 MAR 11 PY 2008 VL 587 IS 1 BP 89 EP 100 DI 10.1016/j.nima.2007.12.031 PG 12 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 286BH UT WOS:000254819800013 ER PT J AU Ropponen, T Tarvainen, O Suominen, P Koponen, TK Kalvas, T Koivisto, H AF Ropponen, T. Tarvainen, O. Suominen, P. Koponen, T. K. Kalvas, T. Koivisto, H. TI Hybrid simulation of electron cyclotron resonance heating SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE ECR; electron heating simulation ID ION-SOURCE AB Electron Cyclotron Resonance (ECR) heating is a fundamentally important aspect in understanding the physics of Electron Cyclotron Resonance Ion Sources (ECRIS). Absorption of the radio frequency (RF) microwave power by electron heating in the resonance zone depends on many parameters including frequency and electric field strength of the microwave, magnetic field structure and electron and ion density profiles. ECR absorption has been studied in the past by e.g. modelling electric field behaviour in the resonance zone and its near proximity. This paper introduces a new ECR heating code that implements damping of the microwave power in the vicinity of the resonance zone, utilizes electron density profiles and uses right hand circularly polarized (RHCP) electromagnetic waves to simulate electron heating in ECRIS plasma. (C) 2007 Elsevier B.V. All rights reserved. C1 [Ropponen, T.; Koponen, T. K.] Univ Jyvaskyla, Dept Phys, Nanosci Ctr, FI-40014 Jyvaskyla, Finland. [Tarvainen, O.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Suominen, P.] CERN, CH-1211 Geneva, Switzerland. RP Ropponen, T (reprint author), Univ Jyvaskyla, Dept Phys, Nanosci Ctr, POB 35, FI-40014 Jyvaskyla, Finland. EM tommi.ropponen@phys.jyu.fi NR 14 TC 5 Z9 5 U1 0 U2 3 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 MAR 11 PY 2008 VL 587 IS 1 BP 115 EP 124 DI 10.1016/j.nima.2007.12.030 PG 10 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 286BH UT WOS:000254819800016 ER PT J AU Northen, TR Lee, JC Hoang, L Raymond, J Hwang, DR Yannone, SM Wong, CH Siuzdak, G AF Northen, Trent R. Lee, Jinq-Chyi Hoang, Linh Raymond, Jason Hwang, Der-Ren Yannone, Steven M. Wong, Chi-Huey Siuzdak, Gary TI A nanostructure-initiator mass spectrometry-based enzyme activity assay SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE fluorous phase; microbial community; carbohydrate ID SMALL-MOLECULE MICROARRAYS; BETA-GALACTOSIDASE; ORGANIC-SYNTHESIS; BINDING; METAGENOMICS; INHIBITION; DISCOVERY; ARRAY AB We describe a Nanostructure-Initiator Mass Spectrometry (NIMS) enzymatic (Nimzyme) assay in which enzyme substrates are immobilized on the mass spectrometry surface by using fluorous-phase interactions. This "soft" immobilization allows efficient desorption/ionization while also enabling the use of surface-washing steps to reduce signal suppression from complex biological samples, which results from the preferential retention of the tagged products and reactants. The Nimzyme assay is sensitive to subpicogram levels of enzyme, detects both addition and cleavage reactions (sialyltransferase and galactosidase), is applicable over a wide range of pHs and temperatures, and can measure activity directly from crude cell lysates. The ability of the Nimzyme assay to analyze complex mixtures is illustrated by identifying and directly characterizing beta-1,4-galactosidase activity from a thermophilic microbial community lysate. The optimal enzyme temperature and pH were found to be 65 degrees C and 5.5, respectively, and the activity was inhibited by both phenylethyl-beta-D-thiogalactopyranoside and cleoxygalactonojirimycin. Metagenomic analysis of the community suggests that the activity is from an uncultured, unsequenced gamma-proteobacterium. In general, this assay provides an efficient method for detection and characterization of enzymatic activities in complex biological mixtures prior to sequencing or cloning efforts. More generally, this approach may have important applications for screening both enzymatic and inhibitor libraries, constructing and screening glycan microarrays, and complementing fluorous-phase organic synthesis. C1 [Lee, Jinq-Chyi; Hwang, Der-Ren; Wong, Chi-Huey] Scripps Res Inst, Skaggs Inst Chem Biol, La Jolla, CA 92037 USA. [Lee, Jinq-Chyi; Hwang, Der-Ren; Wong, Chi-Huey] Scripps Res Inst, Dept Chem, La Jolla, CA 92037 USA. [Northen, Trent R.; Hoang, Linh; Siuzdak, Gary] Scripps Res Inst, Scripps Ctr Mass Spectrometry, La Jolla, CA 92037 USA. [Northen, Trent R.; Hoang, Linh; Siuzdak, Gary] Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA. [Raymond, Jason] Univ Calif, Sch Nat Sci, Merced, CA 95343 USA. [Yannone, Steven M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Wong, CH (reprint author), Scripps Res Inst, Dept Chem, 10550 N Torrey Pines Rd, La Jolla, CA 92037 USA. EM wong@scripps.edu; siuzdak@scripps.ed RI Lee, Jinq-Chyi/C-1373-2010; Yannone, Steven/G-1927-2011; Northen, Trent/K-3139-2012; OI Northen, Trent/0000-0001-8404-3259 NR 31 TC 81 Z9 82 U1 3 U2 32 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 MAR 11 PY 2008 VL 105 IS 10 BP 3678 EP 3683 DI 10.1073/pnas.0712332105 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 273KZ UT WOS:000253930600005 PM 18319341 ER PT J AU Manos, MJ Ding, N Kanatzidis, MG AF Manos, Manolis J. Ding, Nan Kanatzidis, Mercouri G. TI Layered metal sulfides: Exceptionally selective agents for radioactive strontium removal SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE chalcogenide; environmental remediation; ion exchange; layered materials; nuclear waste ID NUCLEAR-WASTE SOLUTIONS; ION-EXCHANGERS; CESIUM; EXTRACTION; MOS2 AB In this article, we report the family of robust layered sulfides K2xMnxSn3-xS6 (x = 0.5-0.95) (KMS-1). These materials feature hexagonal [MnxSn3-xS6](2x-) slabs of the Cdl(2) type and contain highly mobile K+ ions in their interlayer space that are easily exchangeable with other cations and particularly strontium. KMS-1 display outstanding preference for strontium ions in highly alkaline solutions containing extremely large excess of sodium cations as well as in acidic environment where most alternative adsorbents with oxygen ligands are nearly inactive. The implication of these results is that simple layered sulfides should be considered for the efficient remediation of certain nuclear wastes. C1 [Manos, Manolis J.; Ding, Nan; Kanatzidis, Mercouri G.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Kanatzidis, Mercouri G.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Kanatzidis, MG (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM m-kanatzidis@northwestern.edu RI Manos, Emmanouil/F-8887-2012; Manos, Emmanouil/F-3442-2014 OI Manos, Emmanouil/0000-0001-7645-5560 NR 26 TC 62 Z9 67 U1 10 U2 66 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 MAR 11 PY 2008 VL 105 IS 10 BP 3696 EP 3699 DI 10.1073/pnas.0711528105 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 273KZ UT WOS:000253930600008 PM 18316731 ER PT J AU Ballister, ER Lai, AH Zuckermann, RN Cheng, Y Mougous, JD AF Ballister, Edward R. Lai, Angela H. Zuckermann, Ronald N. Cheng, Yifan Mougous, Joseph D. TI In vitro self-assembly from a simple protein of tailorable nanotubes building block SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE nanocapsule; protein engineering; dendrimer; disulfide; drug delivery ID GENETICALLY-ENGINEERED VIRUSES; TOBACCO-MOSAIC-VIRUS; BIOMEDICAL APPLICATIONS; PSEUDOMONAS-AERUGINOSA; QUANTUM DOTS; SECRETION; NANOWIRES; COMPLEXES; SCAFFOLDS; DELIVERY AB We demonstrate a method for generating discretely structured protein nanotubes from the simple ring-shaped building block, homohexameric Hcp1 from Pseudomonas aeruginosa. Our design exploited the observation that the crystal lattice of Hcp1 contains rings stacked in a repeating head-to-tail pattern. High-resolution detail of the ring-ring interface allowed the selection of sites for specific cysteine mutations capable of engaging in disulfide bond formation across rings, thereby generating stable Hcp1 nanotubes. Protein nanotubes containing up to 25 subunits (approximate to 100 nm in length) were self-assembled under simple conditions. Furthermore, we demonstrate that the tube ends and interior can be independently and specifically functionalized to generate nanocapsules. C1 [Mougous, Joseph D.] Univ Washington, Dept Microbiol, Seattle, WA 98195 USA. [Ballister, Edward R.; Zuckermann, Ronald N.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Lai, Angela H.; Cheng, Yifan] Univ Calif San Francisco, Dept Biochem & Biophys, WM Keck Adv Microscopy Lab, San Francisco, CA 94158 USA. RP Mougous, JD (reprint author), Univ Washington, Dept Microbiol, Seattle, WA 98195 USA. EM mougous@u.washington.edu RI Zuckermann, Ronald/A-7606-2014; OI Zuckermann, Ronald/0000-0002-3055-8860; Ballister, Edward/0000-0002-4478-2513 NR 30 TC 158 Z9 164 U1 3 U2 52 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 MAR 11 PY 2008 VL 105 IS 10 BP 3733 EP 3738 DI 10.1073/pnas.0712247105 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 273KZ UT WOS:000253930600015 PM 18310321 ER PT J AU Vermaas, WFJ Timlin, JA Jones, HDT Sinclair, MB Nieman, LT Hamad, SW Melgaard, DK Haaland, DM AF Vermaas, Wim F. J. Timlin, Jerilyn A. Jones, Howland D. T. Sinclair, Michael B. Nieman, Linda T. Hamad, Sawsan W. Melgaard, David K. Haaland, David M. TI In vivo hyperspectral confocal fluorescence imaging to determine pigment localization and distribution in cyanobacterial cells SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE cyanobacteria; photosynthetic pigments; multivariate curve resolution ID SYNECHOCYSTIS SP PCC-6803; RESONANCE RAMAN-SPECTROSCOPY; SP PCC 6803; PHOTOSYSTEM-I; PHOTOSYNTHETIC COMPLEXES; 3-DIMENSIONAL STRUCTURE; ENERGY-TRANSFER; CORE COMPLEXES; WILD-TYPE; PHYCOBILISOMES AB Hyperspectral confocal fluorescence imaging provides the opportunity to obtain individual fluorescence emission spectra in small (approximate to 0.03-mu m(3)) volumes. Using multivariate curve resolution, individual fluorescence components can be resolved, and their intensities can be calculated. Here we localize, in vivo, photosynthesis-related pigments (chlorophylls, phycobilins, and carotenoids) in wild-type and mutant cells of the cyanobacterium Synechocystis sp. PCC 6803. Cells were excited at 488 nm, exciting primarily phycobilins and carotenoids. Fluorescence from phycocyanin, allophycocyanin, allophycocyanin-B/terminal emitter, and chlorophyll a was resolved. Moreover, resonance-enhanced Raman signals and very weak fluorescence from carotenoids were observed. Phycobilin emission was most intense along the periphery of the cell whereas chlorophyll fluorescence was distributed more evenly throughout the cell, suggesting that fluorescing phycobilisomes are more prevalent along the outer thylakoids. Carotenoids were prevalent in the cell wall and also were present in thylakoids. Two chlorophyll fluorescence components were resolved: the short-wavelength component originates primarily from photosystem 11 and, is most intense near the periphery of the cell; and the long-wavelength component that is attributed to photosystem I because it disappears in mutants lacking this photosystem is of higher relative intensity toward the inner rings of the thylakoids. Together, the results suggest compositional heterogeneity between thylakoid rings, with the inner thylakoids enriched in photosystem l. In cells depleted in chlorophyll, the amount of both chlorophyll emission components was decreased, confirming the accuracy of the spectral assignments. These results show that hyperspectral fluorescence imaging can provide unique information regarding pigment organization and localization in the cell. C1 [Vermaas, Wim F. J.; Hamad, Sawsan W.] Arizona State Univ, Sch Life Sci, Tempe, AZ 85287 USA. [Vermaas, Wim F. J.; Hamad, Sawsan W.] Arizona State Univ, Ctr Bioenergy & Photosynthesis, Tempe, AZ 85287 USA. [Timlin, Jerilyn A.; Jones, Howland D. T.; Sinclair, Michael B.; Nieman, Linda T.; Melgaard, David K.; Haaland, David M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Vermaas, WFJ (reprint author), Arizona State Univ, Sch Life Sci, Box 874501, Tempe, AZ 85287 USA. EM wim@asu.edu OI Timlin, Jerilyn/0000-0003-2953-1721 NR 42 TC 81 Z9 82 U1 2 U2 34 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 MAR 11 PY 2008 VL 105 IS 10 BP 4050 EP 4055 DI 10.1073/pnas.0708090105 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 273KZ UT WOS:000253930600070 PM 18316743 ER PT J AU Barros, G Silva, EN Ayala, AP Guedes, I Loong, CK Wang, J Hu, X Zhang, H AF Barros, G. Silva, E. N. Ayala, A. P. Guedes, I. Loong, C. -K. Wang, J. Hu, X. Zhang, H. TI Raman spectroscopic characterization of RECa(4)O(BO(3))(3) (RE = La and Gd) crystals SO VIBRATIONAL SPECTROSCOPY LA English DT Article DE Raman scattering; nonlinear crystals; RECOB ID SINGLE-CRYSTALS; THERMAL-PROPERTIES; OPTICAL-PROPERTIES; LACA4O(BO3)(3); GROWTH; CA4GDO(BO3)(3); VIBRATION; SPECTRA; GDCOB AB The phonon modes of the rare-earth calcium oxyborates [RECa(4)O(BO(3))(3), RE = La and Gd] were determined at room-temperature using Raman scattering technique. The observed frequencies were assigned on the basis of the borate (BO(3)) vibrations and correlations with previous data reported for other similar compounds. The influence of the RE ion substitution on the phonon distribution is discussed. Two main features were observed when La(3+) replaces for Gd(3+): the frequency of most of the phonons shifts downwards and the frequency difference between the components of the nu(1)(BO(3)) doublet decreases. All these features result from the monoclinic lattice expansion. (C) 2007 Elsevier B.V. All rights reserved. C1 [Barros, G.; Silva, E. N.; Ayala, A. P.; Guedes, I.] Univ Fed Ceara, Dept Fis, BR-60455760 Fortaleza, Ceara, Brazil. [Loong, C. -K.] Argonne Natl Lab, Div Intense Pulsed Neutron Source, Argonne, IL 60439 USA. [Wang, J.; Hu, X.; Zhang, H.] Shandong Univ, State Key Lab Crystal Mat, Jinan 250100, Peoples R China. RP Guedes, I (reprint author), Univ Fed Ceara, Dept Fis, Campus Pici,CP 6030, BR-60455760 Fortaleza, Ceara, Brazil. EM guedes@fisica.ufc.br RI Silva, Eder/H-3653-2012; Barros, Glaydson/I-1858-2012; GUEDES, ILDE/C-3451-2013; Nanobiosimes, Inct/K-2263-2013; UFC, DF/E-1564-2017; Ayala, Alejandro/A-7518-2008; Universidade Federal do Ceara, Physics Department/J-4630-2016; OI Ayala, Alejandro/0000-0002-9247-6780; Universidade Federal do Ceara, Physics Department/0000-0002-9247-6780; GUEDES, ILDE/0000-0002-1040-5891 NR 21 TC 10 Z9 11 U1 3 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0924-2031 J9 VIB SPECTROSC JI Vib. Spectrosc. PD MAR 11 PY 2008 VL 46 IS 2 BP 100 EP 106 DI 10.1016/j.vibspec.2007.11.002 PG 7 WC Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Chemistry; Spectroscopy GA 290KG UT WOS:000255121100004 ER PT J AU Armstrong, MR Crowhurst, JC Reed, EJ Zaug, JM AF Armstrong, Michael R. Crowhurst, Jonathan C. Reed, Evan J. Zaug, Joseph M. TI Ultrafast high strain rate acoustic wave measurements at high static pressure in a diamond anvil cell SO APPLIED PHYSICS LETTERS LA English DT Article ID STRUCTURAL RELAXATION; REFRACTIVE-INDEX; METHANOL; COMPRESSION; ETHANOL; TIME AB We have used subpicosecond laser pulses to launch ultrahigh strain rate (similar to 10(9) s(-1)) nonlinear acoustic waves into a 4:1 methanol-ethanol pressure medium which has been precompressed in a standard diamond anvil cell. Using ultrafast interferometry, we have characterized acoustic wave propagation into the pressure medium at static compression of up to 24 GPa. We find that the velocity is dependent on the incident laser fluence, demonstrating a nonlinear acoustic response which may result in a shock wave behavior. We compare our results to low strain rate acoustic data. This technique provides controlled access to regions of thermodynamic phase space that is otherwise difficult to obtain. (c) 2008 American Institute of Physics. C1 [Armstrong, Michael R.; Crowhurst, Jonathan C.; Reed, Evan J.; Zaug, Joseph M.] Lawrence Livermore Natl Lab, CSD CMELS, Livermore, CA 94550 USA. RP Armstrong, MR (reprint author), Lawrence Livermore Natl Lab, CSD CMELS, POB 808,L-353, Livermore, CA 94550 USA. EM armstrong30@llnl.gov RI Armstrong, Michael/I-9454-2012 NR 17 TC 9 Z9 10 U1 2 U2 13 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAR 10 PY 2008 VL 92 IS 10 AR 101930 DI 10.1063/1.2898222 PG 3 WC Physics, Applied SC Physics GA 274GH UT WOS:000253989300061 ER PT J AU Chu, YS Yi, JM De Carlo, F Shen, Q Lee, WK Wu, HJ Wang, CL Wang, JY Liu, CJ Wang, CH Wu, SR Chien, CC Hwu, Y Tkachuk, A Yun, W Feser, M Liang, KS Yang, CS Je, JH Margaritondo, G AF Chu, Y. S. Yi, J. M. De Carlo, F. Shen, Q. Lee, Wah-Keat Wu, H. J. Wang, C. L. Wang, J. Y. Liu, C. J. Wang, C. H. Wu, S. R. Chien, C. C. Hwu, Y. Tkachuk, A. Yun, W. Feser, M. Liang, K. S. Yang, C. S. Je, J. H. Margaritondo, G. TI Hard-x-ray microscopy with Fresnel zone plates reaches 40 nm Rayleigh resolution SO APPLIED PHYSICS LETTERS LA English DT Article ID E-BEAM LITHOGRAPHY; FABRICATION AB Substantial improvements in the nanofabrication and characteristics of gold Fresnel zone plates yielded unprecedented resolution levels in hard-x-ray microscopy. Tests performed on a variety of specimens with 8-10 keV photons demonstrated a first-order lateral resolution below 40 nm based on the Rayleigh criterion. Combined with the use of a phase contrast technique, this makes it possible to view features in the 30 nm range; good-quality images can be obtained at video rate, down to 50 ms/frame. The important repercussions on materials science, nanotechnology, and the life sciences are discussed. (C) 2008 American Institute of Physics. C1 [Chu, Y. S.; Yi, J. M.; De Carlo, F.; Shen, Q.; Lee, Wah-Keat] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Wu, H. J.; Wang, C. L.; Wang, J. Y.; Liu, C. J.; Wang, C. H.; Wu, S. R.; Chien, C. C.; Hwu, Y.] Acad Sinica, Inst Phys, Taipei 115, Taiwan. [Wu, S. R.; Chien, C. C.; Hwu, Y.] Natl Tsing Hua Univ, Dept Engn Sci & Syst, Hsinchu 300, Taiwan. [Hwu, Y.] Natl Taiwan Ocean Univ, Inst Optoelect Sci, Chilung 202, Taiwan. [Hwu, Y.; Liang, K. S.] Natl Synchrotron Radiat Res Ctr, Hsinchu 300, Taiwan. [Tkachuk, A.; Yun, W.; Feser, M.] Xradia Inc, Concord, CA 94520 USA. [Yang, C. S.] Natl Hlth Res Inst, Ctr Nanomed, Miaoli 350, Taiwan. [Je, J. H.] Pohang Univ Sci & Technol, Xray Imaging Ctr, Pohang 790784, South Korea. [Margaritondo, G.] Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. RP Chu, YS (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM phhwu@sinica.edu.tw RI Centre d'imagerie Biomedicale, CIBM/B-5740-2012; Yang, Chung-Shi/E-3999-2010; Chien, Chia-Chi/E-9932-2013; Margaritondo, Giorgio/B-1367-2008 OI Chien, Chia-Chi/0000-0001-8704-0336; NR 20 TC 128 Z9 133 U1 3 U2 32 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 MAR 10 PY 2008 VL 92 IS 10 AR 103119 DI 10.1063/1.2857476 PG 3 WC Physics, Applied SC Physics GA 274GH UT WOS:000253989300119 ER PT J AU Coutts, TJ Young, DL AF Coutts, Timothy J. Young, David L. TI Comment on "Bandgap and effective mass of epitaxial cadmium oxide" [Appl. Phys. Lett. 92, 022101 (2008)] SO APPLIED PHYSICS LETTERS LA English DT Editorial Material ID CDO C1 [Coutts, Timothy J.; Young, David L.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Coutts, TJ (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM david_young@nrel.gov NR 4 TC 1 Z9 1 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAR 10 PY 2008 VL 92 IS 10 AR 106103 DI 10.1063/1.2896604 PG 1 WC Physics, Applied SC Physics GA 274GH UT WOS:000253989300173 ER PT J AU Jia, L Sun, JR Wang, FW Zhao, TY Zhang, HW Shen, BG Li, DX Nimori, S Ren, Y Zeng, QS AF Jia, L. Sun, J. R. Wang, F. W. Zhao, T. Y. Zhang, H. W. Shen, B. G. Li, D. X. Nimori, S. Ren, Y. Zeng, Q. S. TI Volume dependence of the magnetic coupling in LaFe(13-x)Si(x) based compounds SO APPLIED PHYSICS LETTERS LA English DT Article ID ENTROPY CHANGE AB The effects of pressure and hydrogenation, the former causes a lattice contraction while the latter causes an expansion of the sample, have been systematically studied for LaFe(13-x)Si(x) (x=1.3-2.1). It is found that the typical change of the Curie temperature is similar to 150 K when similar to 1.6 H/f.u. is absorbed and similar to-106 K as the pressure sweeps from 0 to 1 GPa. One of the most remarkable results of the present work is the presence of a universal relation between Curie temperature and phase volume. The former linearly grows with the increase of lattice constant (similar to 1510 K/A), irrespective of how the phase volume is modified. This result implies the exclusive dependence of the magnetic coupling in LaFe(13-x)Si(x) on the Fe-Fe distances and the interstitial hydrogen does not affect the electronic structure of the compounds. (C) 2008 American Institute of Physics. C1 [Jia, L.; Sun, J. R.; Wang, F. W.; Zhao, T. Y.; Zhang, H. W.; Shen, B. G.] Chinese Acad Sci, Inst Phys, Beijing 100080, Peoples R China. [Jia, L.; Sun, J. R.; Wang, F. W.; Zhao, T. Y.; Zhang, H. W.; Shen, B. G.] Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100080, Peoples R China. [Li, D. X.] Tohoku Univ, Inst Mat Res, Oarai, Ibaraki 3111313, Japan. [Nimori, S.] Natl Inst Mat Sci, Tsukuba Magnet Lab, Tsukuba, Ibaraki 3050003, Japan. [Ren, Y.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Zeng, Q. S.] Zhejiang Univ, Dept Mat Sci & Engn, Hangzhou 310027, Peoples R China. [Zeng, Q. S.] Carnegie Inst Washington, HPSynC Geophys Lab, Argonne, IL 60439 USA. RP Sun, JR (reprint author), Chinese Acad Sci, Inst Phys, POB 603, Beijing 100080, Peoples R China. EM jrsun@g203.iphy.ac.cn RI Nimori, Shigeki/H-2643-2011; li, dexin/B-9982-2011 NR 11 TC 21 Z9 22 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAR 10 PY 2008 VL 92 IS 10 AR 101904 DI 10.1063/1.2894194 PG 3 WC Physics, Applied SC Physics GA 274GH UT WOS:000253989300035 ER PT J AU Lo, CC Bokor, J Schenkel, T He, J Tyryshkin, AM Lyon, SA AF Lo, C. C. Bokor, J. Schenkel, T. He, J. Tyryshkin, A. M. Lyon, S. A. TI Spin-dependent scattering off neutral antimony donors in (28)Si field-effect transistors (vol 91, art no 242106, 2007) SO APPLIED PHYSICS LETTERS LA English DT Correction C1 [Lo, C. C.; Bokor, J.] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Schenkel, T.] Lawrence Berkeley Natl Lab, Div Accelerator & Fus Res, Berkeley, CA 94720 USA. [He, J.; Tyryshkin, A. M.; Lyon, S. A.] Princeton Univ, Dept Elect Engn, Princeton, NJ 08544 USA. RP Lo, CC (reprint author), Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. EM cclo@eecs.berkeley.edu RI Bokor, Jeffrey/A-2683-2011 NR 1 TC 1 Z9 1 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAR 10 PY 2008 VL 92 IS 10 AR 109908 DI 10.1063/1.2890086 PG 1 WC Physics, Applied SC Physics GA 274GH UT WOS:000253989300182 ER PT J AU Yang, H Luo, HM Wang, H Usov, IO Suvorova, NA Jain, M Feldmann, DM Dowden, PC DePaula, RF Jia, QX AF Yang, H. Luo, H. M. Wang, H. Usov, I. O. Suvorova, N. A. Jain, M. Feldmann, D. M. Dowden, P. C. DePaula, R. F. Jia, Q. X. TI Rectifying current-voltage characteristics of BiFeO3/Nb-doped SrTiO3 heterojunction SO APPLIED PHYSICS LETTERS LA English DT Article ID P-N; DIODE; FILMS AB Epitaxial c-axis oriented BiFeO3 (BFO) thin films were deposited on (001) Nb-doped SrTiO3 (Nb-STO) substrates by pulsed laser deposition. Introducing Bi vacancies caused the BFO thin film to evolve to a p-type semiconductor and formed a p-n heterojunction with an n-type semiconductor Nb-STO. The current density versus voltage (J-V) and capacitance versus voltage (C-V) characteristics of the heterojunction were investigated. A typical rectifying J-V effect was observed with a large rectifying ratio of 5x10(4). Reverse C-V characteristics exhibited a linear 1/C-2 versus V plot, from which a built-in potential of 0.6 V was deduced. The results show a potential application of BFO/Nb-STO heterojunction for oxide electronics. (c) 2008 American Institute of Physics. C1 [Yang, H.; Luo, H. M.; Usov, I. O.; Suvorova, N. A.; Jain, M.; Feldmann, D. M.; Dowden, P. C.; DePaula, R. F.; Jia, Q. X.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Superconduct Technol Ctr, Los Alamos, NM 87545 USA. [Wang, H.] Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA. RP Yang, H (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, Superconduct Technol Ctr, POB 1663, Los Alamos, NM 87545 USA. EM hyang@lanl.gov; qxjia@lanl.gov RI Jia, Q. X./C-5194-2008; Wang, Haiyan/P-3550-2014; OI Wang, Haiyan/0000-0002-7397-1209; Jain, Menka/0000-0002-2264-6895 NR 21 TC 113 Z9 116 U1 12 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAR 10 PY 2008 VL 92 IS 10 AR 102113 DI 10.1063/1.2896302 PG 3 WC Physics, Applied SC Physics GA 274GH UT WOS:000253989300075 ER PT J AU Iocco, F Murase, K Nagataki, S Serpico, PD AF Iocco, F. Murase, K. Nagataki, S. Serpico, P. D. TI High-energy neutrino signals from the epoch of reionization SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmology : theory; gamma rays : bursts; neutrinos; stars : early-type ID GAMMA-RAY BURSTS; INITIAL MASS FUNCTION; POPULATION III STARS; PEAK ENERGY; 1ST STARS; EVOLUTION; MODELS AB In this paper we generate a new estimate of the high-energy neutrinos expected from GRBs associated with the first generation of stars in light of new models and constraints on the epoch of reionization and a more detailed evaluation of the neutrino emission yields. We also compare the diffuse high-energy neutrino background from Population III stars with the one from "ordinary stars'' ( Population II), as estimated consistently within the same cosmological and astrophysical assumptions. In disagreement with previous literature, we find that high-energy neutrinos from Population III stars will not be observable at current or near-future neutrino telescopes, falling below both the sensitivity of a km(3) telescope and the atmospheric neutrino background, also under the most optimistic predictions for the GRB rate. This rules them out as a viable diagnostic tool for these still-elusive metal-free stars. C1 [Iocco, F.] Univ Naples Federico 2, Dipartimento Sci Fis, I-80126 Naples, Italy. [Iocco, F.; Nagataki, S.] Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94309 USA. [Murase, K.; Nagataki, S.] Kyoto Univ, YITP, Sakyo Ku, Kyoto 6068502, Japan. [Serpico, P. D.] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. RP Iocco, F (reprint author), Univ Naples Federico 2, Dipartimento Sci Fis, Via Cintia, I-80126 Naples, Italy. RI Murase, Kohta/B-2710-2016 OI Murase, Kohta/0000-0002-5358-5642 NR 33 TC 13 Z9 13 U1 1 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD MAR 10 PY 2008 VL 675 IS 2 BP 937 EP 945 DI 10.1086/526450 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 271VT UT WOS:000253817500001 ER PT J AU Ackermann, M Adams, J Ahrens, J Andeen, K Auffenberg, J Bai, X Baret, B Barwick, SW Bay, R Beattie, K Becka, T Becker, JK Becker, KH Beimforde, M Berghaus, P Berley, D Bernardini, E Bertrand, D Besson, DZ Blaufuss, E Boersma, DJ Bohm, C Bolmont, J Boser, S Botner, O Bouchta, A Braun, J Burgess, T Castermans, T Chirkin, D Christy, B Clem, J Cowen, DF D'Agostino, MV Davour, A Day, CT De Clercq, C Demirors, L Descamps, F Desiati, P De Vries-Uiterweerd, G DeYoung, T Diaz-Velez, JC Dreyer, J Dumm, JP Duvoort, MR Edwards, WR Ehrlich, R Eisch, J Ellsworth, RW Evenson, PA Fadiran, O Fazely, AR Filimonov, K Finley, C Foerster, MM Fox, BD Franckowiak, A Franke, R Gaisser, TK Gallagher, J Ganugapati, R Geenen, H Gerhardt, L Goldschmidt, A Goodman, JA Gozzini, R Griesel, T Gross, A Grullon, S Gunasingha, RM Gurtner, M Ha, C Hallgren, A Halzen, F Han, K Hanson, K Hardtke, D Hardtke, R Hasegawa, Y Hauschildt, T Heise, J Helbing, K Hellwig, M Herquet, P Hill, GC Hodges, J Hoffman, KD Hommez, B Hoshina, K Hubert, D Hughey, B Hulss, JP Hulth, PO Hultqvist, K Hundertmark, S Inaba, M Ishihara, A Jacobsen, J Japaridze, GS Johansson, H Joseph, JM Kampert, KH Kappes, A Karg, T Karle, A Kawai, H Kelley, JL Kiryluk, J Kislat, F Kitamura, N Klein, SR Klepser, S Kohnen, G Kolanoski, H Kopke, L Kowalski, M Kowarik, T Krasberg, M Kuehn, K Kuwabara, T Labare, M Laihem, K Landsman, H Lauer, R Leich, H Leier, D Liubarsky, I Lundberg, J Lunemann, J Madsen, J Maruyama, R Mase, K Matis, HS McCauley, T McParland, CP Meagher, K Meli, A Messarius, T Meszaros, P Miyamoto, H Montaruli, T Morey, A Morse, R Movit, SM Muenich, K Nahnhauer, R Nam, JW Niessen, P Nygren, DR Olivas, A Ono, M Patton, S Heros, CPDL Piegsa, A Pieloth, D Pohl, AC Porrata, R Pretz, J Price, PB Przybylski, GT Rawlins, K Razzaque, S Redl, P Resconi, E Rhode, W Ribordy, M Rizzo, A Robbins, S Robbins, WJ Roth, P Rothmaier, F Rott, C Roucelle, C Rutledge, D Ryckbosch, D Sander, HG Sarkar, S Satalecka, K Schlenstedt, S Schmidt, T Schneider, D Schultz, O Seckel, D Semburg, B Seo, SH Sestayo, Y Seunarine, S Silvestri, A Smith, AJ Song, C Spiczak, GM Spiering, C Stamatikos, M Stanev, T Stezelberger, T Stokstad, RG Stoufer, MC Stoyanov, S Strahler, EA Straszheim, T Sulanke, KH Sullivan, GW Sumner, TJ Swillens, Q Taboada, I Tarasova, O Tepe, A Thollander, L Tilav, S Tluczykont, M Toale, PA Tosi, D Turcan, D Van Eijndhoven, N Vandenbroucke, J Van Overloop, A Viscomi, V Vogt, C Voigt, B Wagner, W Walck, C Waldmann, H Waldenmaier, T Walter, M Wang, YR Wendt, C Wiebusch, CH Wiedemann, C Wikstrom, G Williams, DR Wischnewski, R Wissing, H Woschnagg, K Xu, XW Yodh, G Yoshida, S Zornoza, JD AF Ackermann, M. Adams, J. Ahrens, J. Andeen, K. Auffenberg, J. Bai, X. Baret, B. Barwick, S. W. Bay, R. Beattie, K. Becka, T. Becker, J. K. Becker, K. -H. Beimforde, M. Berghaus, P. Berley, D. Bernardini, E. Bertrand, D. Besson, D. Z. Blaufuss, E. Boersma, D. J. Bohm, C. Bolmont, J. Boeser, S. Botner, O. Bouchta, A. Braun, J. Burgess, T. Castermans, T. Chirkin, D. Christy, B. Clem, J. Cowen, D. F. D'Agostino, M. V. Davour, A. Day, C. T. De Clercq, C. Demiroers, L. Descamps, F. Desiati, P. De Vries-Uiterweerd, G. DeYoung, T. Diaz-Velez, J. C. Dreyer, J. Dumm, J. P. Duvoort, M. R. Edwards, W. R. Ehrlich, R. Eisch, J. Ellsworth, R. W. Evenson, P. A. Fadiran, O. Fazely, A. R. Filimonov, K. Finley, C. Foerster, M. M. Fox, B. D. Franckowiak, A. Franke, R. Gaisser, T. K. Gallagher, J. Ganugapati, R. Geenen, H. Gerhardt, L. Goldschmidt, A. Goodman, J. A. Gozzini, R. Griesel, T. Gross, A. Grullon, S. Gunasingha, R. M. Gurtner, M. Ha, C. Hallgren, A. Halzen, F. Han, K. Hanson, K. Hardtke, D. Hardtke, R. Hasegawa, Y. Hauschildt, T. Heise, J. Helbing, K. Hellwig, M. Herquet, P. Hill, G. C. Hodges, J. Hoffman, K. D. Hommez, B. Hoshina, K. Hubert, D. Hughey, B. Huelss, J. -P. Hulth, P. O. Hultqvist, K. Hundertmark, S. Inaba, M. Ishihara, A. Jacobsen, J. Japaridze, G. S. Johansson, H. Joseph, J. M. Kampert, K. -H. Kappes, A. Karg, T. Karle, A. Kawai, H. Kelley, J. L. Kiryluk, J. Kislat, F. Kitamura, N. Klein, S. R. Klepser, S. Kohnen, G. Kolanoski, H. Koepke, L. Kowalski, M. Kowarik, T. Krasberg, M. Kuehn, K. Kuwabara, T. Labare, M. Laihem, K. Landsman, H. Lauer, R. Leich, H. Leier, D. Liubarsky, I. Lundberg, J. Luenemann, J. Madsen, J. Maruyama, R. Mase, K. Matis, H. S. McCauley, T. McParland, C. P. Meagher, K. Meli, A. Messarius, T. Meszaros, P. Miyamoto, H. Montaruli, T. Morey, A. Morse, R. Movit, S. M. Muenich, K. Nahnhauer, R. Nam, J. W. Niessen, P. Nygren, D. R. Olivas, A. Ono, M. Patton, S. Heros, C. Perez De Los Piegsa, A. Pieloth, D. Pohl, A. C. Porrata, R. Pretz, J. Price, P. B. Przybylski, G. T. Rawlins, K. Razzaque, S. Redl, P. Resconi, E. Rhode, W. Ribordy, M. Rizzo, A. Robbins, S. Robbins, W. J. Roth, P. Rothmaier, F. Rott, C. Roucelle, C. Rutledge, D. Ryckbosch, D. Sander, H. -G. Sarkar, S. Satalecka, K. Schlenstedt, S. Schmidt, T. Schneider, D. Schultz, O. Seckel, D. Semburg, B. Seo, S. H. Sestayo, Y. Seunarine, S. Silvestri, A. Smith, A. J. Song, C. Spiczak, G. M. Spiering, C. Stamatikos, M. Stanev, T. Stezelberger, T. Stokstad, R. G. Stoufer, M. C. Stoyanov, S. Strahler, E. A. Straszheim, T. Sulanke, K. -H. Sullivan, G. W. Sumner, T. J. Swillens, Q. Taboada, I. Tarasova, O. Tepe, A. Thollander, L. Tilav, S. Tluczykont, M. Toale, P. A. Tosi, D. Turcan, D. Van Eijndhoven, N. Vandenbroucke, J. Van Overloop, A. Viscomi, V. Vogt, C. Voigt, B. Wagner, W. Walck, C. Waldmann, H. Waldenmaier, T. Walter, M. Wang, Y. -R. Wendt, C. Wiebusch, C. H. Wiedemann, C. Wikstroem, G. Williams, D. R. Wischnewski, R. Wissing, H. Woschnagg, K. Xu, X. W. Yodh, G. Yoshida, S. Zornoza, J. D. CA IceCube Collaboration TI Search for ultra-high-energy neutrinos with amanda-II SO ASTROPHYSICAL JOURNAL LA English DT Article DE diffuse radiation; galaxies : active; neutrinos; telescopes ID COSMIC-RAYS; LIMITS; SELECTION; DETECTOR; FLUX; KNEE AB A search for diffuse neutrinos with energies in excess of 10(5) GeV is conducted with AMANDA-II data recorded between 2000 and 2002. Above 10(7) GeV, the Earth is essentially opaque to neutrinos. This fact, combined with the limited overburden of the AMANDA-II detector ( roughly 1.5 km), concentrates these ultra-high-energy neutrinos at the horizon. The primary background for this analysis is bundles of downgoing, high-energy muons from the interaction of cosmic rays in the atmosphere. No statistically significant excess above the expected background is seen in the data, and an upper limit is set on the diffuse all-flavor neutrino flux of E-2 Phi(90%CL) < 2.7x10(-7) GeV cm(-2) s(-1) sr(-1) valid over the energy range of 2x10(5) to 10(9) GeV. A number of models that predict neutrino fluxes from active galactic nuclei are excluded at the 90% confidence level. C1 [Barwick, S. W.; Gerhardt, L.; Silvestri, A.; Yodh, G.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Adams, J.; Han, K.; Seunarine, S.] Univ Canterbury, Dept Phys & Astron, Christchurch 1, New Zealand. [Ahrens, J.; Gozzini, R.; Griesel, T.; Hellwig, M.; Koepke, L.; Kowarik, T.; Piegsa, A.; Rothmaier, F.; Sander, H. -G.] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. [Andeen, K.; Becka, T.; Boersma, D. J.; Braun, J.; Desiati, P.; Diaz-Velez, J. C.; Dumm, J. P.; Eisch, J.; Finley, C.; Ganugapati, R.; Grullon, S.; Halzen, F.; Hanson, K.; Hill, G. C.; Hodges, J.; Hoshina, K.; Hughey, B.; Jacobsen, J.; Kappes, A.; Karle, A.; Kelley, J. L.; Kitamura, N.; Krasberg, M.; Landsman, H.; Maruyama, R.; Montaruli, T.; Morse, R.; Schneider, D.; Song, C.; Stamatikos, M.; Strahler, E. A.; Wang, Y. -R.; Wendt, C.; Zornoza, J. D.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Auffenberg, J.; Becker, K. -H.; Franckowiak, A.; Geenen, H.; Gurtner, M.; Helbing, K.; Kampert, K. -H.; Karg, T.; Robbins, S.; Semburg, B.; Tepe, A.] Berg Univ Wuppertal, Dept Phys, D-42119 Wuppertal, Germany. [Bai, X.; Clem, J.; Demiroers, L.; Evenson, P. A.; Gaisser, T. K.; Hauschildt, T.; Kuwabara, T.; Niessen, P.; Seckel, D.; Stanev, T.; Stoyanov, S.; Tilav, S.; Waldenmaier, T.] Univ Delaware, Bartol Res Inst, Newark, DE 19716 USA. [Bai, X.; Demiroers, L.; Hauschildt, T.; Niessen, P.; Rizzo, A.; Stanev, T.; Stoyanov, S.; Waldenmaier, T.] Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA. [Baret, B.; De Clercq, C.; Hubert, D.; Kuehn, K.] Vrije Univ Brussels, Dienst ELEM, B-1050 Brussels, Belgium. [Bay, R.; D'Agostino, M. V.; Filimonov, K.; Hardtke, D.; Morey, A.; Porrata, R.; Price, P. B.; Taboada, I.; Vandenbroucke, J.; Woschnagg, K.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Beattie, K.; Chirkin, D.; Day, C. T.; Edwards, W. R.; Goldschmidt, A.; Joseph, J. M.; Kiryluk, J.; Klein, S. R.; Matis, H. S.; McCauley, T.; McParland, C. P.; Nygren, D. R.; Patton, S.; Przybylski, G. T.; Roucelle, C.; Stezelberger, T.; Stokstad, R. G.; Stoufer, M. C.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Becker, J. K.; Dreyer, J.; Leier, D.; Luenemann, J.; Meli, A.; Messarius, T.; Muenich, K.; Rhode, W.] Univ Dortmund, Dept Phys, D-44221 Dortmund, Germany. [Beimforde, M.; Kislat, F.; Kolanoski, H.; Kowalski, M.] Humboldt Univ, Inst Phys, D-12489 Berlin, Germany. [Berghaus, P.; Bertrand, D.; Labare, M.; Swillens, Q.] Univ Libre Bruxelles, Fac Sci, B-1050 Brussels, Belgium. [Berley, D.; Blaufuss, E.; Christy, B.; Ehrlich, R.; Ellsworth, R. W.; Goodman, J. A.; Hoffman, K. D.; Meagher, K.; Olivas, A.; Pretz, J.; Redl, P.; Roth, P.; Schmidt, T.; Smith, A. J.; Straszheim, T.; Sullivan, G. W.; Turcan, D.] Univ Maryland, Dept Phys, College Pk, MD 20742 USA. [Besson, D. Z.] Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. [Bohm, C.; Burgess, T.; Hulth, P. O.; Hultqvist, K.; Hundertmark, S.; Johansson, H.; Thollander, L.; Walck, C.; Wiedemann, C.; Wikstroem, G.] Stockholm Univ, Dept Phys, SE-10691 Stockholm, Sweden. [Botner, O.; Bouchta, A.; Davour, A.; Hallgren, A.; Lundberg, J.; Heros, C. Perez De Los; Pohl, A. C.] Uppsala Univ, Div High Energy Phys, S-75121 Uppsala, Sweden. [Castermans, T.; Herquet, P.; Kohnen, G.] Univ Mons, B-7000 Mons, Belgium. [Cowen, D. F.; DeYoung, T.; Foerster, M. M.; Fox, B. D.; Ha, C.; Meszaros, P.; Razzaque, S.; Robbins, W. J.; Rott, C.; Rutledge, D.; Seo, S. H.; Toale, P. A.; Viscomi, V.; Wagner, W.; Williams, D. R.] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. [Cowen, D. F.; Meszaros, P.; Movit, S. M.; Razzaque, S.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Descamps, F.; Hommez, B.; Ryckbosch, D.; Van Overloop, A.] Univ Ghent, Dept Subatom & Radiat Phys, B-9000 Ghent, Belgium. [De Vries-Uiterweerd, G.; Duvoort, M. R.; Heise, J.; Van Eijndhoven, N.] Univ Utrecht, Dept Phys & Astron, SRON, NL-3584 CC Utrecht, Netherlands. [Fadiran, O.; Japaridze, G. S.] Clark Atlanta Univ, CTSPS, Atlanta, GA 30314 USA. [Fazely, A. R.; Gunasingha, R. M.; Xu, X. W.] So Univ, Dept Phys, Baton Rouge, LA 70813 USA. [Ackermann, M.; Bernardini, E.; Bolmont, J.; Boeser, S.; Franke, R.; Klepser, S.; Lauer, R.; Leich, H.; Nahnhauer, R.; Pieloth, D.; Satalecka, K.; Schlenstedt, S.; Spiering, C.; Sulanke, K. -H.; Tarasova, O.; Tluczykont, M.; Tosi, D.; Voigt, B.; Waldmann, H.; Walter, M.; Wischnewski, R.] DESY, D-15735 Zeuthen, Germany. [Gallagher, J.] Univ Wisconsin, Dept Astron, Madison, WI 53706 USA. [Gross, A.; Resconi, E.; Schultz, O.; Sestayo, Y.] Max Planck Inst Kernphys, D-69177 Heidelberg, Germany. [Hardtke, R.; Madsen, J.; Spiczak, G. M.] Univ Wisconsin, Dept Phys, River Falls, WI 54022 USA. [Hasegawa, Y.; Inaba, M.; Ishihara, A.; Kawai, H.; Mase, K.; Miyamoto, H.; Ono, M.; Yoshida, S.] Chiba Univ, Dept Phys, Chiba 2638522, Japan. [Huelss, J. -P.; Laihem, K.; Vogt, C.; Wiebusch, C. H.; Wissing, H.] Rhein Westfal TH Aachen, Inst Phys 3, D-52056 Aachen, Germany. [Liubarsky, I.; Sumner, T. J.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2BW, England. [Pohl, A. C.] Kalmar Univ, Sch Pure & Appl Nat Sci, S-39182 Kalmar, Sweden. [Rawlins, K.] Univ Alaska, Dept Phys & Astron, Anchorage, AK 99508 USA. [Ribordy, M.] Ecole Polytech Fed Lausanne, High Energy Phys Lab, CH-1015 Lausanne, Switzerland. [Sarkar, S.] Univ Oxford, Dept Phys, Oxford OX1 3NP, England. [Stamatikos, M.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Zornoza, J. D.] Univ Valencia, CSIC, IFIC, Valencia 46071, Spain. RP Gerhardt, L (reprint author), Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. EM gerhardt@hep.ps.uci.edu RI Song, Chihwa/A-3455-2008; Hundertmark, Stephan/A-6592-2010; Vogt, Christian/E-2028-2012; Wiebusch, Christopher/G-6490-2012; Kowalski, Marek/G-5546-2012; Hallgren, Allan/A-8963-2013; Botner, Olga/A-9110-2013; Tjus, Julia/G-8145-2012; Auffenberg, Jan/D-3954-2014; Zornoza, Juan de Dios/L-1604-2014; Maruyama, Reina/A-1064-2013 OI Hubert, Daan/0000-0002-4365-865X; Lauer, Robert/0000-0003-1933-7861; Sarkar, Subir/0000-0002-3542-858X; Perez de los Heros, Carlos/0000-0002-2084-5866; Wiebusch, Christopher/0000-0002-6418-3008; Auffenberg, Jan/0000-0002-1185-9094; Zornoza, Juan de Dios/0000-0002-1834-0690; Maruyama, Reina/0000-0003-2794-512X NR 56 TC 74 Z9 74 U1 1 U2 9 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 MAR 10 PY 2008 VL 675 IS 2 BP 1014 EP 1024 DI 10.1086/527046 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 271VT UT WOS:000253817500006 ER PT J AU Rykoff, ES Mckay, TA Becker, MR Evrard, A Johnston, DE Koester, BP Rozo, E Sheldon, ES Wechsler, RH AF Rykoff, E. S. McKay, T. A. Becker, M. R. Evrard, A. Johnston, D. E. Koester, B. P. Rozo, E. Sheldon, E. S. Wechsler, R. H. TI Measuring the mean and scatter of the X-ray luminosity-optical richness relation for maxBCG galaxy clusters SO ASTROPHYSICAL JOURNAL LA English DT Review DE galaxies : clusters : general; X-rays : galaxies : clusters ID DIGITAL SKY SURVEY; SPECTROSCOPIC TARGET SELECTION; WEAK-LENSING ANALYSIS; FLUX-LIMITED SAMPLE; SUNYAEV-ZELDOVICH; REDSHIFT SURVEY; ABELL CLUSTERS; DISTANT CLUSTERS; COOLING-CORE; DARK-MATTER AB Determining the scaling relations between galaxy cluster observables requires large samples of uniformly observed clusters. We measure the mean X-ray luminosity-optical richness ((L) over bar (X)-(N) over bar (200)) relation for an approximately volume-limited sample of more than 17,000 optically selected clusters from the maxBCG catalog spanning the redshift range 0.1 < z < 0.3. By stacking the X-ray emission from many clusters using ROSAT All-Sky Survey data, we are able to measure mean X-ray luminosities to similar to 10% (including systematic errors) for clusters in nine independent optical richness bins. In addition, we are able to crudely measure individual X-ray emission from similar to 800 of the richest clusters. Assuming a lognormal form for the scatter in the L-X-N-200 relation, we measure sigma(ln L) = 0.86 +/- 0.03 at fixed N-200. This scatter is large enough to significantly bias the mean stacked relation. The corrected median relation can be parameterized by (L) over tilde (X) = e(alpha)((N) over bar (200)/40)(beta) x 10(42) h(-2) ergs s(-1), where alpha = 3.57 +/- 0.08 and beta = 1.82 +/- 0.05. We find that X-ray-selected clusters are significantly brighter than optically selected clusters at a given optical richness. This selection bias explains the apparently X-ray-underluminous nature of optically selected cluster catalogs. C1 [Rykoff, E. S.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Rykoff, E. S.; McKay, T. A.; Becker, M. R.; Evrard, A.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [McKay, T. A.; Evrard, A.] Univ Michigan, Dept Astron, Ann Arbor, MI 48109 USA. [McKay, T. A.; Evrard, A.] Michigan Ctr Theoret Phys, Ann Arbor, MI 48109 USA. [Johnston, D. E.] Jet Prop Lab, Pasadena, CA 91109 USA. [Koester, B. P.] Univ Chicago, Dept Astron, Chicago, IL 60637 USA. [Rozo, E.] Ohio State Univ, Columbus, OH 43201 USA. [Sheldon, E. S.] NYU, Dept Phys, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. [Wechsler, R. H.] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Dept Phys, Stanford, CA 94305 USA. [Wechsler, R. H.] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Stanford Linear Accelerator Ctr, Stanford, CA 94305 USA. RP Rykoff, ES (reprint author), Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. EM erykoff@physics.ucsb.edu RI McKay, Timothy/C-1501-2009; OI McKay, Timothy/0000-0001-9036-6150; Evrard, August/0000-0002-4876-956X; Becker, Matthew/0000-0001-7774-2246 NR 106 TC 58 Z9 58 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 MAR 10 PY 2008 VL 675 IS 2 BP 1106 EP 1124 DI 10.1086/527537 PG 19 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 271VT UT WOS:000253817500014 ER PT J AU Marcillac, D Rieke, GH Papovich, C Willmer, CNA Weiner, BJ Coil, AL Cooper, MC Gerke, BF Woo, J Newman, JA Georgakakis, A Laird, ES Nandra, K Fazio, GG Huang, JS Koo, DC AF Marcillac, D. Rieke, G. H. Papovich, C. Willmer, C. N. A. Weiner, B. J. Coil, A. L. Cooper, M. C. Gerke, B. F. Woo, J. Newman, J. A. Georgakakis, A. Laird, E. S. Nandra, K. Fazio, G. G. Huang, J. -S. Koo, D. C. TI The environment on a few Mpc scales of infrared luminous galaxies at redshift z similar to 1 SO ASTROPHYSICAL JOURNAL LA English DT Review DE galaxies : evolution; galaxies : general; galaxies : interactions; galaxies : starburst; infrared : galaxies ID SPITZER-SPACE-TELESCOPE; STAR-FORMING GALAXIES; ACTIVE GALACTIC NUCLEI; EXTENDED GROTH STRIP; DIGITAL SKY SURVEY; DEEP-FIELD-SOUTH; AREA ISO SURVEY; MULTIBAND IMAGING PHOTOMETER; X-RAY SOURCES; LOCAL UNIVERSE AB We investigate the environment of infrared-luminous galaxies [L-IR(8-1000 mu m) > 10(11) L-circle dot]. We focus on the redshift range 0.7 <= z <= 1, where these galaxies dominate the star formation activity and play a significant role in galaxy evolution. We employ MIPS 24 mu m data to identify infrared galaxies in the Extended Groth Strip (EGS). We use a local density indicator to probe the environment on a few Mpc scales and a group member catalog, both of which make use of the DEEP2 spectroscopic redshift catalog, to quantify the environment of these galaxies. We find that the local environment of LIRGs and ULIRGs is intermediate between that of blue and red galaxies. LIRGs and ULIRGs avoid underdense environments and inhabit local environments that are more dense on average than those of other DEEP2 galaxies at similar redshifts. However, when the comparison sample of the non-IR DEEP2 galaxies is restricted to have the same range of stellar mass, color, or luminosity as the IR galaxies, there is no longer any significant difference in environment: the IR galaxies follow the same trends in the color-environment and luminosity-environment relations observed at z similar to 1. We also find that about 30% of the LIRGs and ULIRGs belong to groups, associated with a minimum dark matter halo of 6 x 10(12) M-circle dot h(-1). The group members constitute 20% of the sources responsible for the IR star formation rate density and comoving energy density at z similar to 1. C1 [Marcillac, D.; Rieke, G. H.; Papovich, C.; Willmer, C. N. A.; Weiner, B. J.; Coil, A. L.; Cooper, M. C.] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. [Cooper, M. C.; Gerke, B. F.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Woo, J.] Hebrew Univ Jerusalem, Racah Inst Phys, IL-91904 Jerusalem, Israel. [Newman, J. A.] Lawrence Berkeley Natl Lab, Inst Nucl & Particle Astorphys, Berkeley, CA 94720 USA. [Georgakakis, A.; Laird, E. S.; Nandra, K.] Univ London Imperial Coll Sci Technol & Med, Astrophys Grp, Blackett Lab, London SW7 2BZ, England. [Fazio, G. G.; Huang, J. -S.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Koo, D. C.] Univ Calif Santa Cruz, Dept Astron & Astrophys, Univ Calif Observ, Lick Observ, Santa Cruz, CA 95064 USA. RP Marcillac, D (reprint author), Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. RI Georgakakis, Antonis/K-4457-2013 NR 105 TC 14 Z9 14 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 MAR 10 PY 2008 VL 675 IS 2 BP 1156 EP 1170 DI 10.1086/527031 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 271VT UT WOS:000253817500017 ER PT J AU Chen, ZH Zhang, LZ West, R Amine, K AF Chen, Zonghai Zhang, L. Z. West, R. Amine, K. TI Gel electrolyte for lithium-ion batteries SO ELECTROCHIMICA ACTA LA English DT Article DE gel electrolyte; interfacial impedance; surface modification; rate capability; lithium-ion battery ID SOLID POLYMER ELECTROLYTE; SYSTEMS; MACROMONOMER; SAFE AB The electrochemical performance of gel electrolytes based on crosslinked poly [ethyleneoxide-co-2-(2-methoxyethyoxy)ethyl glycidyl ether-co-allyl glycidyl ether] was investigated using graphite/Li-1.1[Ni1/3Mn1/3Co1/3](0.9)O-2 lithium-ion cells. It was found that the conductivity of the crosslinked gel electrolytes was as high as 5.9 mS/cm at room temperature, which is very similar to that of the conventional organic carbonate liquid electrolytes. Moreover, the capacity retention of lithium-ion cells comprising gel electrolytes was also similar to that of cells with conventional electrolytes. Despite of the high conductivity of the gel electrolytes, the rate capability of lithium-ion cells comprising gel electrolytes is interior to that of the conventional cells. The difference was believed to be caused by the poor wettability of gel electrolytes on the electrode surfaces. (C) 2007 Published by Elsevier Ltd. C1 [Chen, Zonghai; Amine, K.] Argonne Natl Lab, Div Chem Engn, Argonne, IL 60439 USA. [Zhang, L. Z.; West, R.] Univ Wisconsin, Dept Chem, Organosilicon Res Ctr, Madison, WI 53706 USA. RP Amine, K (reprint author), Argonne Natl Lab, Div Chem Engn, 9700 S Cass Ave, Argonne, IL 60439 USA. EM amine@cmt.anl.gov RI Chen, Zonghai/K-8745-2013; Amine, Khalil/K-9344-2013 NR 18 TC 26 Z9 32 U1 4 U2 34 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 MAR 10 PY 2008 VL 53 IS 8 BP 3262 EP 3266 DI 10.1016/j.electacta.2007.10.058 PG 5 WC Electrochemistry SC Electrochemistry GA 274VQ UT WOS:000254031300006 ER PT J AU Chen, ZH Liu, J Arnine, K AF Chen, Zonghai Liu, Jun Arnine, K. TI Impact of tripropyl borate on life and impedance of lithium-ion cells SO ELECTROCHIMICA ACTA LA English DT Article DE anion receptor; tripropyl borate; impedance; life; lithium-ion battery ID CATHODE MATERIALS; BATTERIES; ELECTROLYTE; CARBONATE; DIFLUORO(OXALATO)BORATE; TEMPERATURE; PERFORMANCE; REDUCTION; GRAPHITE; ETHYLENE AB Tripropyl borate was investigated as a low cost anion receptor to improve the performance of lithium-ion cells. The impact of tripropyl borate was examined using lithium-ion cells comprising a negative electrode of mesocarbon microbeads, a positive electrode of Li-1.1[Mn1/3Ni1/3Co1/3](0.9)O-2 and an LiPF6-based electrolyte. It was found that the performance of the cells was improved by adding a proper amount of tripropyl borate (<= 0.1 wt%) to the LiPF6-based electrolyte. However, a small amount of gas was observed from cells with high contents of tripropyl borate when cycled at 55 degrees C, and as a result, the performance of the cells deteriorated. (C) 2007 Published by Elsevier Ltd. C1 [Chen, Zonghai; Liu, Jun; Arnine, K.] Argonne Natl Lab, Div Chem Engn, Argonne, IL 60439 USA. RP Chen, ZH (reprint author), Argonne Natl Lab, Div Chem Engn, 9700 S Cass Ave, Argonne, IL 60439 USA. EM chenz@cmt.anl.gov NR 22 TC 5 Z9 5 U1 11 U2 53 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 MAR 10 PY 2008 VL 53 IS 8 BP 3267 EP 3270 DI 10.1016/j.electacta.2007.10.078 PG 4 WC Electrochemistry SC Electrochemistry GA 274VQ UT WOS:000254031300007 ER PT J AU Ingber, MS Feng, SH Graham, AL Brenner, H AF Ingber, Marc S. Feng, Shihai Graham, Alan L. Brenner, Howard TI The analysis of self-diffusion and migration of rough spheres in nonlinear shear flow using a traction-corrected boundary element method SO JOURNAL OF FLUID MECHANICS LA English DT Article ID REYNOLDS-NUMBER FLOW; CONCENTRATED SUSPENSIONS; VISCOUS FLUID; HYDRODYNAMIC INTERACTION; NUMERICAL-SIMULATION; PARTICLE MIGRATION; SLOW MOTION; NONCOLLOIDAL SUSPENSIONS; TOUCHING SPHERES; PLANE SURFACE AB The phenomena of self-diffusion and migration of rough spheres in nonlinear shear flows are investigated using a new traction-corrected boundary element method (TC-BEM) in which the near-field asymptotics for the traction solution in the interstitial region between two nearly touching spheres is seamlessly coupled with a traditional direct boundary element method. The TC-BEM is extremely accurate in predicting particle trajectories, and hence can be used to calculate both the particle self-diffusivity and a newly defined migration diffusivity for dilute suspensions. The migration diffusivity is a function of a nonlinearity parameter characterizing the shear flow and arises from the net displacement of the centre of gravity of particle pairs. This net displacement of the centre of gravity of particle pairs does not occur for smooth particles, nor for rough particles in a linear shear flow. An explanation is provided for why two-particle interactions of rough spheres in a nonlinear shear flow result in particle migration. C1 [Ingber, Marc S.] Univ New Mexico, Dept Mech Engn, Albuquerque, NM 87131 USA. [Feng, Shihai; Graham, Alan L.] Los Alamos Natl Lab, Inst Div, Los Alamos, NM 87545 USA. [Brenner, Howard] MIT, Dept Chem Engn, Cambridge, MA 02139 USA. RP Ingber, MS (reprint author), Univ New Mexico, Dept Mech Engn, Albuquerque, NM 87131 USA. NR 51 TC 13 Z9 13 U1 0 U2 5 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 J9 J FLUID MECH JI J. Fluid Mech. PD MAR 10 PY 2008 VL 598 BP 267 EP 292 DI 10.1017/S0022112007000043 PG 26 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 280LR UT WOS:000254428800012 ER PT J AU Hrenya, CM Galvin, JE Wildman, RD AF Hrenya, C. M. Galvin, J. E. Wildman, R. D. TI Evidence of higher-order effects in thermally driven rapid granular flows SO JOURNAL OF FLUID MECHANICS LA English DT Article ID VELOCITY DISTRIBUTION FUNCTION; MOLECULAR-DYNAMICS; TRANSPORT-COEFFICIENTS; INELASTIC SPHERES; NORMAL STRESS; LOW-DENSITY; SHEAR-FLOW; DILUTE; GASES; MICROSTRUCTURE AB Molecular dynamic (MD) simulations are used to probe the ability of Navier-Stokes-order theories to predict each of the constitutive quantities - heat flux, stress tensor and dissipation rate - associated with granular materials. The system under investigation is bounded by two opposite walls of set granular temperature and is characterized by zero mean flow. The comparisons between MD and theory provide evidence of higher-order effects in each of the constitutive quantities. Furthermore, the size of these effects is roughly one order of magnitude greater, on a percentage basis, for heat flux than it is for stress or dissipation rate. For the case of heat flux, these effects are attributed to super-Burnett-order contributions (third order in gradients) or greater, since Burnett-order contributions to the heat flux do not exist. Finally, for the system considered, these higher-order contributions to the heat flux outweigh the first-order contribution arising from a gradient in concentration (i.e. the Dufour effect). C1 [Hrenya, C. M.; Galvin, J. E.] Univ Colorado, Dept Chem & Biol Engn, Boulder, CO 80309 USA. [Galvin, J. E.] US DOE, Natl Energy Technol Lab NETL, Morgantown, WV 26507 USA. [Wildman, R. D.] Univ Loughborough, Wolfson Sch Mech & Mfg Engn, Loughborough LE11 3TU, Leics, England. RP Hrenya, CM (reprint author), Univ Colorado, Dept Chem & Biol Engn, Boulder, CO 80309 USA. EM hrenya@colorado.edu RI Wildman, Ricky/H-8093-2012 OI Wildman, Ricky/0000-0003-2329-8471 NR 56 TC 19 Z9 19 U1 0 U2 7 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 J9 J FLUID MECH JI J. Fluid Mech. PD MAR 10 PY 2008 VL 598 BP 429 EP 450 DI 10.1017/S0022112007000079 PG 22 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 280LR UT WOS:000254428800020 ER PT J AU Ludlow, JC Monazam, ER Shadle, LJ AF Ludlow, J. Christopher Monazam, Esmail R. Shadle, Lawrence J. TI Improvement of continuous solid circulation rate measurement in a cold flow circulating fluidized bed SO POWDER TECHNOLOGY LA English DT Article DE CFB; experimental methods; solids circulation measurement ID MASS-FLOW AB A method is described to independently estimate the solids velocity and voidage in the moving bed portion of the NETL circulating fluidized bed (CFB). These quantities are used by a device that continuously measures the solids circulation rate. The device is based on the use of a rotating Spiral vane installed in the standpipe of a circulating fluid bed (CFB). Correlations were developed from transient experiments and steady state mass balance data to correct the solids velocity and solids fraction in the standpipe as a function of standpipe aeration rate. A set of statistically-designed experiments was used to establish the need for these corrections and to verify the accuracy of solid circulation rate measurements after correction. The differences between the original and corrected measurements were quantitatively compared. (c) 2007 Published by Elsevier B.V. C1 [Ludlow, J. Christopher; Shadle, Lawrence J.] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Monazam, Esmail R.] PLLC, REM Engn Serv, Morgantown, WV 26505 USA. RP Shadle, LJ (reprint author), US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA. EM jludlo@netl.doe.gov OI Shadle, Lawrence/0000-0002-6283-3628 NR 12 TC 20 Z9 21 U1 1 U2 13 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0032-5910 J9 POWDER TECHNOL JI Powder Technol. PD MAR 10 PY 2008 VL 182 IS 3 BP 379 EP 387 DI 10.1016/j.powtec.2007.06.031 PG 9 WC Engineering, Chemical SC Engineering GA 286AY UT WOS:000254818800007 ER PT J AU Kim, BG Miller, MA Schwartz, SE Liu, YG Min, QL AF Kim, Byung-Gon Miller, Mark A. Schwartz, Stephen E. Liu, Yangang Min, Qilong TI The role of adiabaticity in the aerosol first indirect effect SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID LEVEL STRATIFORM CLOUDS; LIQUID WATER PATH; REMOTE SENSORS; STRATOCUMULUS CLOUDS; MICROWAVE RADIOMETER; NUMBER CONCENTRATION; RADIATIVE PROPERTIES; SPECTRAL DISPERSION; EFFECTIVE RADIUS; OPTICAL DEPTH AB Aerosol indirect effects are the most uncertain of the climate forcing mechanisms that have operated through the industrial period. Several studies have demonstrated modifications of cloud properties due to aerosols and corresponding changes in shortwave and longwave radiative fluxes under specific cloud conditions, but some recent studies have indicated that cloud dynamical processes such as entrainment-mixing may be the primary modulator of cloud optical properties in certain situations. For example, day-to-day variations of the cloud drop effective radius ( re) determined from the ground-based remote sensing at the Southern Great Plains were found to be weakly associated with the variations in aerosol loading as characterized by its light-scattering coefficient at the surface, implying that other processes were impacting the cloud radiative properties. To study these other impacts, we extend a previous study to investigate the role of changes in liquid water path (LWP) and re in single layer stratiform clouds that are induced by entrainment-mixing processes and their effects on cloud radiative properties. We quantify the degree of entrainment-mixing in terms of the adiabaticity defined as the ratio of the observed cloud liquid water path to the corresponding adiabatic value. The cloud optical depth is, as expected, governed primarily by LWP, but that adiabaticity is the next most influential factor. In contrast, re is found to be equally sensitive to adiabaticity and LWP. In adiabatic clouds the aerosol first indirect effect is clearly observed and related to independent measures of aerosol loading. In sub-adiabatic clouds the aerosol first indirect effect is not readily observed; this may in some circumstances be due to interference from heterogeneous mixing processes that change the droplet number density in a manner that attenuates the effect. C1 [Kim, Byung-Gon] Kangnung Natl Univ, Dept Atmospher Environm Sci, Kangnung 210702, South Korea. [Miller, Mark A.; Schwartz, Stephen E.; Liu, Yangang] Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. [Min, Qilong] SUNY Albany, Atmospher Sci Res Ctr, Albany, NY 12203 USA. RP Kim, BG (reprint author), Kangnung Natl Univ, Dept Atmospher Environm Sci, Kangnung 210702, South Korea. EM bgk@kangnung.ac.kr RI Liu, Yangang/H-6154-2011; Schwartz, Stephen/C-2729-2008 OI Schwartz, Stephen/0000-0001-6288-310X NR 51 TC 39 Z9 39 U1 0 U2 8 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD MAR 8 PY 2008 VL 113 IS D5 AR D05210 DI 10.1029/2007JD008961 PG 13 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 276QL UT WOS:000254157100004 ER PT J AU Kresin, V AF Kresin, Vladimir TI Correlation between the energy shell structure and geometry in metallic nanoclusters: Quasiresonance states, isotope effect SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID SODIUM CLUSTERS; ELECTRONIC-PROPERTIES; JELLIUM MODEL; PARTICLES; PHYSICS AB Metallic nanoclusters displaying electronic shell structure exhibit the special feature of a correlation between their geometry and the number of delocalized electrons. Their shape evolution can be described as a quantum oscillation between quasiresonant states (prolate and oblate configurations) whose amplitudes depend on the degree of shell filling. The picture explains the evolution of absorption spectra and predicts a peculiar isotope effect. (C) 2008 American Institute of Physics. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Kresin, V (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM vzkresin@lbl.gov NR 24 TC 6 Z9 6 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD MAR 7 PY 2008 VL 128 IS 9 AR 094706 DI 10.1063/1.2841469 PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 271AP UT WOS:000253761600033 PM 18331109 ER PT J AU Yang, J Xing, XP Wang, XB Wang, LS Sergeeva, AP Boldyrev, AI AF Yang, Jie Xing, Xiao-Peng Wang, Xue-Bin Wang, Lai-Sheng Sergeeva, Alina P. Boldyrev, Alexander I. TI Negative electron binding energies observed in a triply charged anion: Photoelectron spectroscopy of 1-hydroxy-3,6,8-pyrene-trisulfonate SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID CORRELATED MOLECULAR CALCULATIONS; REPULSIVE COULOMB BARRIER; GAUSSIAN-BASIS SETS; GAS-PHASE; TETRAHALIDE DIANIONS; ISOLATED PLATINUM; PHOTODETACHMENT; DENSITY; CHEMISTRY; HYDROGEN AB We report the observation of negative electron binding energies (BEs) in a triply charged anion, 1-hydroxy-3,6,8-pyrene-trisulfonate (HPTS3-). Low-temperature photoelectron spectra were obtained for HPTS3- at several photon energies, revealing three detachment features below 0 electron BE. The HPTS3- trianion was measured to possess a negative BE of -0.66 eV. Despite the relatively high excess energy stored in HPTS3-, it was observed to be a long-lived anion due to its high repulsive Coulomb barrier (RCB) (similar to 3.3 eV), which prevents spontaneous electron emission. Theoretical calculations were carried out, which confirmed the negative electron BEs observed. The calculations further showed that the highest occupied molecular orbital in HPTS3- is an antibonding pi orbital on the pyrene rings, followed by lone pair electrons in the peripheral -SO3- groups. Negative electron BE is a unique feature of multiply charged anions due to the presence of the RCB. Such metastable species may be good models to study electron-electron and vibronic interactions in complex molecules. (c) 2008 American Institute of Physics. C1 [Yang, Jie; Xing, Xiao-Peng; Wang, Xue-Bin; Wang, Lai-Sheng] Washington State Univ, Dept Phys, Richland, WA 99354 USA. [Yang, Jie; Xing, Xiao-Peng; Wang, Xue-Bin; Wang, Lai-Sheng] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Sergeeva, Alina P.; Boldyrev, Alexander I.] Utah State Univ, Dept Chem & Biochem, Logan, UT 84322 USA. RP Yang, J (reprint author), Washington State Univ, Dept Phys, 2710 Univ Dr, Richland, WA 99354 USA. EM ls.wang@pnl.gov; boldyrev@cc.usu.edu RI Boldyrev, Alexander/C-5940-2009 OI Boldyrev, Alexander/0000-0002-8277-3669 NR 30 TC 15 Z9 15 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD MAR 7 PY 2008 VL 128 IS 9 AR 091102 DI 10.1063/1.2889001 PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 271AP UT WOS:000253761600002 ER PT J AU Pai, RD Zhang, W Schuwirth, BS Hirokawa, G Kaji, H Kaji, A Cate, JHD AF Pai, Raj D. Zhang, Wen Schuwirth, Barbara S. Hirokawa, Go Kaji, Hideko Kaji, Akira Cate, Jamie H. D. TI Structural insights into ribosome recycling factor interactions with the 70S ribosome SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE ribosome; x-ray crystallography; ribosome recycling factor; protein synthesis ID ELONGATION-FACTOR-G; ESCHERICHIA-COLI; TRANSFER-RNA; CRYSTAL-STRUCTURE; FACTOR RRF; PROTEIN-BIOSYNTHESIS; THERMUS-THERMOPHILUS; ANGSTROM RESOLUTION; BACTERIAL RIBOSOME; EF-G AB At the end of translation in bacteria, ribosome recycling factor (RRF) is used together with elongation factor G to recycle the 30S and 50S ribosomal subunits for the next round of translation. In x-ray crystal structures of RRF with the Escherichia coli 70S ribosome, RRF binds to the large ribosomal subunit in the cleft that contains the peptidyl transferase center. Upon binding of either E. coli or Thermus thermophilus RRF to the E. coli ribosome, the tip of ribosomal RNA helix 69 in the large subunit moves away from the small subunit toward RRF by 8 angstrom, thereby disrupting a key contact between the small and large ribosomal subunits termed bridge B2a. In the ribosome crystals, the ability of RRF to destabilize bridge B2a is influenced by crystal packing forces. Movement of helix 69 involves an ordered-to-disordered transition upon binding of RRF to the ribosome. The disruption of bridge B2a upon RRF binding to the ribosome seen in the present structures reveals one of the key roles that RRF plays in ribosome recycling, the dissociation of 70S ribosomes into subunits. The structures also reveal contacts between domain II of RRF and protein S12 in the 30S subunit that may also play a role in ribosome recycling. (c) 2008 Elsevier Ltd. All rights reserved. C1 [Pai, Raj D.; Cate, Jamie H. D.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Zhang, Wen; Schuwirth, Barbara S.; Cate, Jamie H. D.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Hirokawa, Go; Kaji, Hideko] Thomas Jefferson Univ, Dept Biochem & Mol Biol, Philadelphia, PA 19107 USA. [Kaji, Akira] Univ Penn, Sch Med, Dept Microbiol, Philadelphia, PA 19104 USA. [Cate, Jamie H. D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Cate, JHD (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. EM jcate@lbl.gov FU NCI NIH HHS [P01 CA092584-08, CA92584, P01 CA092584]; NIGMS NIH HHS [GM60429, GM65050, R01 GM060429, R01 GM060429-04, R01 GM065050, R01 GM065050-08] NR 55 TC 33 Z9 35 U1 1 U2 3 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 MAR 7 PY 2008 VL 376 IS 5 BP 1334 EP 1347 DI 10.1016/j.jmb.2007.12.048 PG 14 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 282RW UT WOS:000254585900010 PM 18234219 ER PT J AU Thode, AB Kruse, SW Nix, JC Jones, DNM AF Thode, Anna B. Kruse, Schoen W. Nix, Jay C. Jones, David N. M. TI The role of multiple hydrogen-bonding groups in specific alcohol binding sites in proteins: Insights from structural studies of LUSH SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE alcohol; hydrogen bonding; binding affinities; LUSH; X-ray crystallography ID KINASE-C-ALPHA; INDUCED CONFORMATIONAL-CHANGES; GATED ION CHANNELS; DROSOPHILA-MELANOGASTER; GLYCINE RECEPTORS; MOLECULAR-DYNAMICS; POTASSIUM CHANNEL; RELEASE MECHANISM; CRYSTAL-STRUCTURE; ANESTHETIC ACTION AB It is now generally accepted that many of the physiological effects of alcohol consumption are a direct result of binding to specific sites in neuronal proteins such as ion channels or other components of neuronal signaling cascades. Binding to these targets generally occurs in water-filled pockets and leads to alterations in protein structure and dynamics. However, the precise interactions required to confer alcohol sensitivity to a particular protein remain undefined. Using information from the previously solved crystal structures of the Drosophila melanogaster protein LUSH in complexes with short-chain alcohols, we have designed and tested the effects of specific amino acid substitutions on alcohol binding. The effects of these substitutions, specifically S52A, T57S, and T57A, were examined using a combination of molecular dynamics, X-ray crystallography, fluorescence spectroscopy, and thermal unfolding. These studies reveal that the binding of ethanol is highly sensitive to small changes in the composition of the alcohol binding site. We find that T57 is the most critical residue for binding alcohols; the T57A substitution completely abolishes binding, while the T57S substitution differentially affects ethanol binding compared to longer-chain alcohols. The additional requirement for a potential hydrogen-bond acceptor at position 52 suggests that both the presence of multiple hydrogen-bonding groups and the identity of the hydrogen-bonding residues are critical for defining an ethanol binding site. These results provide new insights into the detailed chemistry of alcohol's interactions with proteins. (c) 2007 Elsevier Ltd. All rights reserved. C1 [Kruse, Schoen W.; Jones, David N. M.] Univ Colorado, Denver Sch Med, Dept Pharmacol, Aurora, CO 80045 USA. [Thode, Anna B.; Jones, David N. M.] Univ Colorado, Denver Sch Med, Program Biomol Struct, Aurora, CO 80045 USA. [Nix, Jay C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source Beamline 4 2 2, Mol Biol Consortium, Berkeley, CA 94720 USA. RP Jones, DNM (reprint author), Univ Colorado, Denver Sch Med, Dept Pharmacol, 12801 E 17th Ave,MS 8303,POB 6511, Aurora, CO 80045 USA. EM david.jones@uchsc.edu RI Jones, David/C-5764-2013 FU NCI NIH HHS [P30 CA046934]; NIAAA NIH HHS [R01 AA013618, R01 AA013618-05] NR 75 TC 37 Z9 39 U1 1 U2 10 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 MAR 7 PY 2008 VL 376 IS 5 BP 1360 EP 1376 DI 10.1016/j.jmb.2007.12.063 PG 17 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 282RW UT WOS:000254585900012 PM 18234222 ER PT J AU Barinka, C Hlouchova, K Rovenska, M Majer, P Dauter, M Hin, N Ko, YS Tsukamoto, T Slusher, BS Konvalinka, J Lubkowski, J AF Barinka, Cyril Hlouchova, Klara Rovenska, Miroslava Majer, Pavel Dauter, Miroslawa Hin, Niyada Ko, Yao-Sen Tsukamoto, Takashi Slusher, Barbara S. Konvalinka, Jan Lubkowski, Jacek TI Structural basis of interactions between human glutamate carboxypeptidase II and its substrate analogs SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE prostate-specific membrane antigen; metallopeptidase; folate hydrolase; NAALADase; phosphapeptide ID LINKED ACIDIC DIPEPTIDASE; ELECTRON-DENSITY MAPS; UREA-BASED INHIBITORS; MEMBRANE ANTIGEN; POTENT INHIBITORS; GAMMA-GLUTAMATE; PROSTATE-CANCER; EXPRESSION; NAALADASE; NAAG AB Human glutamate carboxypeptidase II (GCPII) is involved in neuronal signal transduction. and intestinal folate absorption by means of the hydrolysis of its two natural substrates, N-acetyl-aspartyl-glutamate and folyl-poly-gamma-glutamates, respectively. During the past years, tremendous efforts have been made toward the structural analysis of GCPII. Crystal structures of GCPII in complex with various ligands have provided insight into the binding of these ligands, particularly to the S1' site of the enzyme. In this article, we have extended structural characterization of GCPII to its S1 site by using dipeptide-based inhibitors that interact with both S1 and S1' sites of the enzyme. To this end, we have determined crystal structures of human GCPII in complex with phosphapeptide analogs of folyl-gamma-glutamate, aspartyl-glutamate, and gamma-glutamyl-glutamate, refined at 1.50, 1.60, and 1.67 angstrom resolution, respectively. The S1 pocket of GCPII could be accurately defined and analyzed for the first time, and the data indicate the importance of Asn519, Arg463, Arg534, and Arg536 for recognition of the penultimate (i.e., P1) substrate residues. Direct interactions between the positively charged guanidinium groups of Arg534 and Arg536 and a P1 moiety of a substrate/inhibitor provide mechanistic explanation of GCPII preference for acidic dipeptides. Additionally, observed conformational flexibility of the Arg463 and Arg536 side chains likely regulates GCPII affinity toward different inhibitors and modulates GCPII substrate specificity. The biochemical experiments assessing the hydrolysis of several GCPII substrate derivatives modified at the P1 position, also included in this report, further complement and extend conclusions derived from the structural analysis. The data described here form an a solid foundation for the structurally aided design of novel low-molecular-weight GCPII inhibitors and imaging agents. (c) 2007 Elsevier Ltd. All rights reserved. C1 [Barinka, Cyril; Lubkowski, Jacek] NCI, Ctr Canc Res, Frederick, MD 21701 USA. [Hlouchova, Klara; Rovenska, Miroslava; Konvalinka, Jan] Acad Sci Czech Republic, Inst Organ Chem & Biochem, Gilead Sci & IOCB Res Ctr, Prague 6, Czech Republic. [Hlouchova, Klara; Rovenska, Miroslava; Konvalinka, Jan] Charles Univ Prague, Fac Nat Sci, Dept Biochem, Prague 2, Czech Republic. [Majer, Pavel; Hin, Niyada; Ko, Yao-Sen; Tsukamoto, Takashi; Slusher, Barbara S.] MGI Pharma Inc, Baltimore, MD USA. [Dauter, Miroslawa] SAIC Frederick Inc, Basic Res Program, Argonne Natl Lab, Argonne, IL USA. RP Barinka, C (reprint author), NCI, Ctr Canc Res, Frederick, MD 21701 USA. EM cyril@ncifcrf.gov RI Konvalinka, Jan/G-7518-2014; Barinka, Cyril/G-9803-2014; OI Konvalinka, Jan/0000-0003-0695-9266; Hlouchova, Klara/0000-0002-5651-4874 FU Intramural NIH HHS [NIH0012079625, Z01 BC010760-01] NR 42 TC 36 Z9 37 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 MAR 7 PY 2008 VL 376 IS 5 BP 1438 EP 1450 DI 10.1016/j.jmb.2007.12.066 PG 13 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 282RW UT WOS:000254585900018 PM 18234225 ER PT J AU Michlmayr, T Saratz, N Ramsperger, U Acremann, Y Bahler, T Pescia, D AF Michlmayr, T. Saratz, N. Ramsperger, U. Acremann, Y. Baehler, T. Pescia, D. TI Magnetic field generation with local current injection SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article ID CO/CU/CO PILLARS; MULTILAYER; FILMS; MICROSCOPY; EXCITATIONS AB We have established point-like contacts between a metallic surface and a scanning tunnelling microscope (STM) tip and generated a localized magnetic field by injecting a current pulse through the contact. The contacts carry current densities on the order of 10(13) Am-2. Magnetic imaging before and after current injection reveals domain nucleation and magnetization reversal on the sub-micrometre spatial scale in ultra-thin magnetic elements of Co and Fe epitaxially grown on Cu(100). This technique offers a way to apply a magnetic field to an ultra-thin sample in ultra-high vacuum (UHV) with nano-scale accuracy. C1 [Michlmayr, T.; Saratz, N.; Ramsperger, U.; Baehler, T.; Pescia, D.] ETH, Festkorperphys Lab, CH-8093 Zurich, Switzerland. [Acremann, Y.] Stanford Linear Accelerator Ctr, PULS Ctr, Menlo Pk, CA 94025 USA. RP Michlmayr, T (reprint author), ETH, Festkorperphys Lab, CH-8093 Zurich, Switzerland. EM ramsperger@phys.ethz.ch NR 21 TC 2 Z9 2 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 MAR 7 PY 2008 VL 41 IS 5 AR 055005 DI 10.1088/0022-3727/41/5/055005 PG 6 WC Physics, Applied SC Physics GA 276PF UT WOS:000254153800010 ER PT J AU Chaieb, S Malkova, S Lal, J AF Chaieb, Sahraoui Malkova, Sarka Lal, Jyotsana TI Why the wrinkling transition in partially polymerized membranes is not universal? Fractal-multifractal hierarchy SO JOURNAL OF THEORETICAL BIOLOGY LA English DT Article DE bilayers; red blood cells; proteins folding ID CRESCENT SINGULARITIES; STATISTICAL-MECHANICS; HUMAN ERYTHROCYTES; DEVELOPABLE CONES; HELICAL RIBBONS; T4 LYSOZYME; X-RAY; FLUCTUATIONS; SURFACES; ORDER AB When partially polymerized membranes wrinkle they exhibit a passage from a conventional buckling (due to an instability caused by chiral symmetry breaking) at low polymerization to a local roughening (due to a frustration in the local packing of the chiral molecules composing the membrane) as a function of the polymerization of the lipids aliphatic tails. This transition was found to be non-universal and here we used neutron scattering to elucidate that this behavior is due to the onset of stretching in the membrane accompanied by a bilayer thickness variation. Close to the percolation limit this deformation is plastic similar to mutated lysozymes. We draw an analogy between this transition and echinocytes in red blood cells. (c) 2007 Elsevier Ltd. All rights reserved. C1 [Chaieb, Sahraoui] Univ Illinois, Dept Engn Sci & Mech, Urbana, IL 61801 USA. [Malkova, Sarka; Lal, Jyotsana] Argonne Natl Lab, IPNS, Argonne, IL 60439 USA. RP Chaieb, S (reprint author), Univ Illinois, Dept Engn Sci & Mech, Urbana, IL 61801 USA. EM sch@uiuc.edu RI c, sahraoui/H-1272-2015 NR 54 TC 3 Z9 3 U1 1 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 MAR 7 PY 2008 VL 251 IS 1 BP 60 EP 67 DI 10.1016/j.jtbi.2007.09.029 PG 8 WC Biology; Mathematical & Computational Biology SC Life Sciences & Biomedicine - Other Topics; Mathematical & Computational Biology GA 296HH UT WOS:000255533600004 PM 18083197 ER PT J AU Aaltonen, T Adelman, J Akimoto, T Albrow, MG Gonzalez, BA Amerio, S Amidei, D Anastassov, A Annovi, A Antos, J Aoki, M Apollinari, G Apresyan, A Arisawa, T Artikov, A Ashmanskas, W Attal, A Aurisano, A Azfar, F Azzi-Bacchetta, P Azzurri, P Bacchetta, N Badgett, W Barbaro-Galtieri, A Barnes, VE Barnett, BA Baroiant, S Bartsch, V Bauer, G Beauchemin, PH Bedeschi, F Bednar, P Behari, S Bellettini, G Bellinger, J Belloni, A Benjamin, D Beretvas, A Beringer, J Berry, T Bhatti, A Binkley, M Bisello, D Bizjak, I Blair, RE Blocker, C Blumenfeld, B Bocci, A Bodek, A Boisvert, V Bolla, G Bolshov, A Bortoletto, D Boudreau, J Boveia, A Brau, B Bridgeman, A Brigliadori, L Bromberg, C Brubaker, E Budagov, J Budd, HS Budd, S Burkett, K Busetto, G Bussey, P Buzatu, A Byrum, KL Cabrera, S Campanelli, M Campbell, M Canelli, F Canepa, A Carlsmith, D Carosi, R Carrillo, S Carron, S Casal, B Casarsa, M Castro, A Catastini, P Cauz, D Cavalli-Sforza, M Cerri, A Cerrito, L Chang, SH Chen, YC Chertok, M Chiarelli, G Chlachidze, G Chlebana, F Cho, K Chokheli, D Chou, JP Choudalakis, G Chuang, SH Chung, K Chung, WH Chung, YS Ciobanu, CI Ciocci, MA Clark, A Clark, D Compostella, G Convery, ME Conway, J Cooper, B Copic, K Cordelli, M Cortiana, G Crescioli, F Almenar, CC Cuevas, J Culbertson, R Cully, JC Dagenhart, D Datta, M Davies, T de Barbaro, P De Cecco, S Deisher, A De Lentdecker, G De Lorenzo, G Dell'Orso, M Demortier, L Deng, J Deninno, M De Pedis, D Derwent, PF Di Giovanni, GP Dionisi, C Di Ruzza, B Dittmann, JR D'Onofrio, M Donati, S Dong, P Donini, J Dorigo, T Dube, S Efron, J Erbacher, R Errede, D Errede, S Eusebi, R Fang, HC Farrington, S Fedorko, WT Feild, RG Feindt, M Fernandez, JP Ferrazza, C Field, R Flanagan, G Forrest, R Forrester, S Franklin, M Freeman, JC Furic, I Gallinaro, M Galyardt, J Garberson, F Garcia, JE Garfinkel, AF Genser, K Gerberich, H Gerdes, D Giagu, S Giakoumopolou, V Giannetti, P Gibson, K Gimmell, JL Ginsburg, CM Giokaris, N Giordani, M Giromini, P Giunta, M Glagolev, V Glenzinski, D Gold, M Goldschmidt, N Golossanov, A Gomez, G Gomez-Ceballos, G Goncharov, M Gonzaalez, O Gorelov, I Goshaw, AT Goulianos, K Gresele, A Grinstein, S Grosso-Pilcher, C Group, RC Grundler, U da Costa, JG Gunay-Unalan, Z Haber, C Hahn, K Hahn, SR Halkiadakis, E Hamilton, A Han, BY Han, JY Handler, R Happacher, F Hara, K Hare, D Hare, M Harper, S Harr, RF Harris, RM Hartz, M Hatakeyama, K Hauser, J Hays, C Heck, M Heijboer, A Heinemann, B Heinrich, J Henderson, C Herndon, M Heuser, J Hewamanage, S Hidas, D Hill, CS Hirschbuehl, D Hocker, A Hou, S Houlden, M Hsu, SC Huffman, BT Hughes, RE Husemann, U Huston, J Incandela, J Introzzi, G Iori, M Ivanov, A Iyutin, B James, E Jayatilaka, B Jeans, D Jeon, EJ Jindariani, S Johnson, W Jones, M Joo, KK Jun, SY Jung, JE Junk, TR Kamon, T Kar, D Karchin, PE Kato, Y Kephart, R Kerzel, U Khotilovich, V Kilminster, B Kim, DH Kim, HS Kim, JE Kim, MJ Kim, SB Kim, SH Kim, YK Kimura, N Kirsch, L Klimenko, S Klute, M Knuteson, B Ko, BR Koay, SA Kondo, K Kong, DJ Konigsberg, J Korytov, A Kotwal, AV Kraus, J Kreps, M Kroll, J Krumnack, N Kruse, M Krutelyov, V Kubo, T Kuhlmann, SE Kuhr, T Kulkarni, NP Kusakabe, Y Kwang, S Laasanen, AT Lai, S Lami, S Lammel, S Lancaster, M Lander, RL Lannon, K Lath, A Latino, G Lazzizzera, I LeCompte, T Lee, J Lee, J Lee, YJ Lee, SW Lefevre, R Leonardo, N Leone, S Levy, S Lewis, JD Lin, C Lin, CS Linacre, J Lindgren, M Lipeles, E Liss, TM Lister, A Litvintsev, DO Liu, T Lockyer, NS Loginov, A Loreti, M Lovas, L Lu, RS Lucchesi, D Lueck, J Luci, C Lujan, P Lukens, P Lungu, G Lyons, L Lys, J Lysak, R Lytken, E Mack, P MacQueen, D Madrak, R Maeshima, K Makhoul, K Maki, T Maksimovic, P Malde, S Malik, S Manca, G Mangano, ML Manousakis, A Margaroli, F Marino, C Marino, CP Martin, A Martin, M Martin, V Martinez, M Martinez-Ballarin, R Maruyama, T Mastrandrea, P Masubuchi, T Mattson, ME Mazzanti, P McFarland, KS McIntyre, P McNulty, R Mehta, A Mehtala, P Menzemer, S Menzione, A Merkel, P Mesropian, C Messina, A Miao, T Miladinovic, N Miles, J Miller, R Mills, C Milnik, M Mitra, A Mitselmakher, G Miyake, H Moed, S Moggi, N Moon, CS Moore, R Morello, M Fernandez, PM Mulmenstadt, J Mukherjee, A Muller, T Mumford, R Murat, P Mussini, M Nachtman, J Nagai, Y Nagano, A Naganoma, J Nakamura, K Nakano, I Napier, A Necula, V Neu, C Neubauer, MS Nielsen, J Nodulman, L Norman, M Norniella, O Nurse, E Oh, SH Oh, YD Oksuzian, I Okusawa, T Oldeman, R Orava, R Osterberg, K Griso, SP Pagliarone, C Palencia, E Papadimitriou, V Papaikonomou, A Paramonov, AA Parks, B Pashapour, S Patrick, J Pauletta, G Paulini, M Paus, C Pellett, DE Penzo, A Phillips, TJ Piacentino, G Piedra, J Pinera, L Pitts, K Plager, C Pondrom, L Portell, X Poukhov, O Pounder, N Prakoshyn, F Pronko, A Proudfoot, J Ptohos, F Punzi, G Pursley, J Rademacker, J Rahaman, A Ramakrishnan, V Ranjan, N Redondo, I Reisert, B Rekovic, V Renton, P Rescigno, M Richter, S Rimondi, F Ristori, L Robson, A Rodrigo, T Rogers, E Rolli, S Roser, R Rossi, M Rossin, R Roy, P Ruiz, A Russ, J Rusu, V Saarikko, H Safonov, A Sakumoto, WK Salamanna, G Salto, O Santi, L Sarkar, S Sartori, L Sato, K Savoy-Navarro, A Scheidle, T Schlabach, P Schmidt, EE Schmidt, MA Schmidt, MP Schmitt, M Schwarz, T Scodellaro, L Scott, AL Scribano, A Scuri, F Sedov, A Seidel, S Seiya, Y Semenov, A Sexton-Kennedy, L Sfyria, A Shalhout, SZ Shapiro, MD Shears, T Shepard, PF Sherman, D Shimojima, M Shochet, M Shon, Y Shreyber, I Sidoti, A Sinervo, P Sisakyan, A Slaughter, AJ Slaunwhite, J Sliwa, K Smith, JR Snider, FD Snihur, R Soderberg, M Soha, A Somalwar, S Sorin, V Spalding, J Spinella, F Spreitzer, T Squillacioti, P Stanitzki, M Denis, RS Stelzer, B Stelzer-Chilton, O 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CA CDF Collaboration TI First measurement of W boson production in association with a single charm quark in p(p)over-bar collisions at root s=1.96 TeV SO PHYSICAL REVIEW LETTERS LA English DT Article ID SILICON VERTEX DETECTOR; PARTON DISTRIBUTIONS; COLLIDER DETECTOR; SIMULATION; FERMILAB; PHYSICS AB We present the first measurement of the production cross section of a W boson with a single charm quark (c) in p (p) over bar collisions at root s=1.96 TeV, using soft muon tagging of c jets. In a data sample of similar to 1.8 fb(-1), recorded with the Collider Detector at Fermilab II detector at the Fermilab Tevatron, we select events with W+1 or 2 jets. We use the charge correlation between the W and the muon from the semileptonic decay of a charm hadron to extract the Wc signal. We measure sigma(Wc)(p(Tc)> 20 GeV/c,|eta(c)|< 1.5)xBR(W -> l nu)=9.8 +/- 3.2 pb, in agreement with theoretical expectations. 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A.; Crescioli, F.; Dell'Orso, M.; Donati, S.; Ferrazza, C.; Garcia, J. E.; Giannetti, P.; Giunta, M.; Introzzi, G.; Lami, S.; Latino, G.; Leone, S.; Menzione, A.; Morello, M.; Pagliarone, C.; Piacentino, G.; Punzi, G.; Ristori, L.; Sartori, L.; Scribano, A.; Scuri, F.; Sidoti, A.; Spinella, F.; Squillacioti, P.; Turini, N.; Volpi, G.] Univ Pisa, Ist Nazl Fis Nucl, I-56127 Pisa, Italy. [Boudreau, J.; Gibson, K.; Hartz, M.; Rahaman, A.; Shepard, P. F.] Univ Pittsburgh, Pittsburgh, PA 15260 USA. [Garfinkel, A. F.; Jones, M.; Laasanen, A. T.; Lytken, E.; Margaroli, F.; Merkel, P.; Pellett, D. E.] Purdue Univ, W Lafayette, IN 47907 USA. [Bodek, A.; Boisvert, V.; Budd, H. S.; Chung, Y. S.; de Barbaro, P.; Gimmell, J. L.; Han, B. -Y.; Han, J. Y.; Lee, J.; McFarland, K. S.; Sakumoto, W. K.; Yu, G. B.] Univ Rochester, Rochester, NY 14627 USA. 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RI Canelli, Florencia/O-9693-2016; Scodellaro, Luca/K-9091-2014; Paulini, Manfred/N-7794-2014; Russ, James/P-3092-2014; vilar, rocio/P-8480-2014; Cabrera Urban, Susana/H-1376-2015; Garcia, Jose /H-6339-2015; ciocci, maria agnese /I-2153-2015; Cavalli-Sforza, Matteo/H-7102-2015; Muelmenstaedt, Johannes/K-2432-2015; Introzzi, Gianluca/K-2497-2015; Gorelov, Igor/J-9010-2015; Leonardo, Nuno/M-6940-2016; Robson, Aidan/G-1087-2011; De Cecco, Sandro/B-1016-2012; Warburton, Andreas/N-8028-2013; Kim, Soo-Bong/B-7061-2014; Lysak, Roman/H-2995-2014; Moon, Chang-Seong/J-3619-2014; Ivanov, Andrew/A-7982-2013; Ruiz, Alberto/E-4473-2011; Azzi, Patrizia/H-5404-2012; Punzi, Giovanni/J-4947-2012; Amerio, Silvia/J-4605-2012; Annovi, Alberto/G-6028-2012; messina, andrea/C-2753-2013 OI Canelli, Florencia/0000-0001-6361-2117; Scodellaro, Luca/0000-0002-4974-8330; Paulini, Manfred/0000-0002-6714-5787; Russ, James/0000-0001-9856-9155; ciocci, maria agnese /0000-0003-0002-5462; Muelmenstaedt, Johannes/0000-0003-1105-6678; Introzzi, Gianluca/0000-0002-1314-2580; Gorelov, Igor/0000-0001-5570-0133; Leonardo, Nuno/0000-0002-9746-4594; Warburton, Andreas/0000-0002-2298-7315; Moon, Chang-Seong/0000-0001-8229-7829; Ivanov, Andrew/0000-0002-9270-5643; Ruiz, Alberto/0000-0002-3639-0368; Azzi, Patrizia/0000-0002-3129-828X; Punzi, Giovanni/0000-0002-8346-9052; Annovi, Alberto/0000-0002-4649-4398; NR 27 TC 32 Z9 32 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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Tissandier, F. Titov, M. Tokmenin, V. V. Toole, T. Torchiani, I. Trefzger, T. Tsybychev, D. Tuchming, B. Tully, C. Tuts, P. M. Unalan, R. Uvarov, S. Uvarov, L. Uzunyan, S. Vachon, B. van den Berg, P. J. Van Kooten, R. van Leeuwen, W. M. Varelas, N. Varnes, E. W. Vasilyev, I. A. Vaupel, M. Verdier, P. Vertogradov, L. S. Verzocchi, M. Villeneuve-Seguier, F. Vint, P. Vokac, P. Von Toerne, E. Voutilainen, M. Wagner, R. Wahl, H. D. Wang, L. Wang, M. H. L. S. Warchol, J. Watts, G. Wayne, M. Weber, M. Weber, G. Wenger, A. Wermes, N. Wetstein, M. White, A. Wicke, D. Wilson, G. W. Wimpenny, S. J. Wobisch, M. Wood, D. R. Wyatt, T. R. Xie, Y. Yacoob, S. Yamada, R. Yan, M. Yasuda, T. Yatsunenko, Y. A. Yip, K. Yoo, H. D. Youn, S. W. Yu, J. Zatserklyaniy, A. Zeitnitz, C. Zhao, T. Zhou, B. Zhu, J. Zielinski, M. Zieminska, D. Zieminski, A. Zivkovic, L. Zutshi, V. Zverev, E. G. CA D0 Collaboration TI Search for Randall-Sundrum gravitons with 1 fb(-1) of data from p(p)over-bar collisions at root s=1.96 TeV SO PHYSICAL REVIEW LETTERS LA English DT Article ID HIERARCHY AB We search for decays of Kaluza-Klein excitations of the graviton in the Randall-Sundrum model of extra dimensions to e(+)e(-) and gamma gamma in 1 fb(-1) of p (p) over bar collisions at root s=1.96 TeV collected by the D0 detector at the Fermilab Tevatron. We set 95% confidence level upper limits on the production cross section times branching fraction, which translate into lower limits on the mass of the lightest excitation between 300 and 900 GeV for values of the coupling k/(M) over bar (P1) between 0.01 and 0.1. C1 [Abazov, V. M.; Alexeev, G. D.; Kalinin, A. M.; Kharzheev, Y. M.; Malyshev, V. L.; Tokmenin, V. V.; Vertogradov, L. S.; Yatsunenko, Y. A.] Joint Inst Nucl Res, Dubna, Russia. [Piegaia, R.; Tanasijczuk, A.] Univ Buenos Aires, Buenos Aires, DF, Argentina. [Alves, G. 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[Evdokimov, A.; Patwa, A.; Protopopescu, S.; Snyder, S.; Yip, K.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Snow, J.] Langston Univ, Langston, OK 73050 USA. [Abbott, B.; Gutierrez, P.; Hossain, S.; Jain, S.; Kopal, M.; Rominsky, M.; Severini, H.; Skubic, P.; Strauss, M.] Univ Oklahoma, Norman, OK 73019 USA. [Khanov, A.; Rizatdinova, F.] Oklahoma State Univ, Stillwater, OK 74048 USA. [Bose, T.; Christofek, L.; Cutts, D.; Enari, Y.; Landsberg, G.; Narain, M.; Pangilinan, M.; Partridge, R.; Xie, Y.; Yoo, H. D.] Brown Univ, Providence, RI 02912 USA. [Brandt, A.; De, K.; Kaushik, V.; Li, J.; Sosebee, M.; Spurlock, B.; White, A.; Yu, J.] Univ Texas Arlington, Arlington, TX 76019 USA. [Kehoe, R.; Renkel, P.] So Methodist Univ, Dallas, TX 75275 USA. [Bargassa, P.; Cooke, M.; Corcoran, M.; Mackin, D.; Padley, P.; Pawloski, G.] Rice Univ, Houston, TX 77005 USA. [Brown, D.; Buehler, M.; Hirosky, R.] Univ Virginia, Charlottesville, VA 22901 USA. [Burnett, T. H.; Gadfort, T.; Garcia-Bellido, A.; Lubatti, H. J.; Watts, G.; Zhao, T.] Univ Washington, Seattle, WA 98195 USA. RP Abazov, VM (reprint author), Joint Inst Nucl Res, Dubna, Russia. RI Fisher, Wade/N-4491-2013; Nomerotski, Andrei/A-5169-2010; Shivpuri, R K/A-5848-2010; Gutierrez, Phillip/C-1161-2011; Dudko, Lev/D-7127-2012; Leflat, Alexander/D-7284-2012; Perfilov, Maxim/E-1064-2012; Merkin, Mikhail/D-6809-2012; Novaes, Sergio/D-3532-2012; Mercadante, Pedro/K-1918-2012; Mundim, Luiz/A-1291-2012; Yip, Kin/D-6860-2013; De, Kaushik/N-1953-2013; Ancu, Lucian Stefan/F-1812-2010; Alves, Gilvan/C-4007-2013; Deliot, Frederic/F-3321-2014; Sharyy, Viatcheslav/F-9057-2014; Kupco, Alexander/G-9713-2014; Christoudias, Theodoros/E-7305-2015; KIM, Tae Jeong/P-7848-2015; Guo, Jun/O-5202-2015; Sznajder, Andre/L-1621-2016; Li, Liang/O-1107-2015 OI Dudko, Lev/0000-0002-4462-3192; Novaes, Sergio/0000-0003-0471-8549; Mundim, Luiz/0000-0001-9964-7805; Yip, Kin/0000-0002-8576-4311; De, Kaushik/0000-0002-5647-4489; Ancu, Lucian Stefan/0000-0001-5068-6723; Sharyy, Viatcheslav/0000-0002-7161-2616; Christoudias, Theodoros/0000-0001-9050-3880; KIM, Tae Jeong/0000-0001-8336-2434; Guo, Jun/0000-0001-8125-9433; Sznajder, Andre/0000-0001-6998-1108; Li, Liang/0000-0001-6411-6107 NR 18 TC 25 Z9 25 U1 0 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAR 7 PY 2008 VL 100 IS 9 AR 091802 DI 10.1103/PhysRevLett.100.091802 PG 7 WC Physics, Multidisciplinary SC Physics GA 271BS UT WOS:000253764500019 ER PT J AU Aberg, D Sadigh, B Crowhurst, J Goncharov, AF AF Aberg, Daniel Sadigh, Babak Crowhurst, Jonathan Goncharov, Alexander F. TI Thermodynamic ground states of platinum metal nitrides SO PHYSICAL REVIEW LETTERS LA English DT Article ID TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; MOLECULAR-DYNAMICS; BASIS-SET; PRESSURE; N-2 AB The thermodynamic stabilities of various phases of the nitrides of the platinum-metal elements are systematically studied using density functional theory. It is shown that for the nitrides of Rh, Pd, Ir, and Pt two new crystal structures, in which the metal ions occupy simple tetragonal lattice sites, have lower formation enthalpies at ambient conditions than any previously proposed structures. The region of stability with respect to those structures extends to 17 GPa for PtN(2). Calculations show that the PtN(2) simple tetragonal structures at this pressure are thermodynamically stable also with respect to phase separation. The fact that the local density and generalized gradient approximations predict different values of the absolute formation enthalpies as well different relative stabilities between simple tetragonal and the pyrite or marcasite structures are further discussed. C1 [Aberg, Daniel; Sadigh, Babak; Crowhurst, Jonathan] Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, Livermore, CA 94551 USA. [Goncharov, Alexander F.] Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA. RP Aberg, D (reprint author), Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, 700 E Ave, Livermore, CA 94551 USA. EM aberg2@llnl.gov; sadigh1@llnl.gov OI Aberg, Daniel/0000-0003-4364-9419 NR 20 TC 55 Z9 56 U1 2 U2 17 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 MAR 7 PY 2008 VL 100 IS 9 AR 095501 DI 10.1103/PhysRevLett.100.095501 PG 4 WC Physics, Multidisciplinary SC Physics GA 271BS UT WOS:000253764500042 PM 18352720 ER PT J AU Bennett, GW Bousquet, B Brown, HN Bunce, G Carey, RM Cushman, P Danby, GT Debevec, PT Deile, M Deng, H Deninger, W Dhawan, SK Druzhinin, VP Duong, L Efstathiadis, E Farley, FJM Fedotovich, GV Giron, S Gray, FE Grigoriev, D Grosse-Perdekamp, M Grossmann, A Hare, MF Hertzog, DW Huang, X Hughes, VW Iwasaki, M Jungmann, K Kawall, D Kawamura, M Khazin, BI Kindem, J Krienen, F Kronkvist, I Lam, A Larsen, R Lee, YY Logashenko, I McNabb, R Meng, W Mi, J Miller, JP Mizumachi, Y Morse, WM Nikas, D Onderwater, CJG Orlov, Y Ozben, CS Paley, JM Peng, Q Polly, CC Pretz, J Prigl, R Putlitz, GZ Qian, T Redin, SI Rind, O Roberts, BL Ryskulov, N Sedykh, S Semertzidis, YK Shagin, P Shatunov, YM Sichtermann, EP Solodov, E Sossong, M Steinmetz, A Sulak, LR Timmermans, C Trofimov, A Urner, D von Walter, P Warburton, D Winn, D Yamamoto, A Zimmerman, D AF Bennett, G. W. Bousquet, B. Brown, H. N. Bunce, G. Carey, R. M. Cushman, P. Danby, G. T. Debevec, P. T. Deile, M. Deng, H. Deninger, W. Dhawan, S. K. Druzhinin, V. P. Duong, L. Efstathiadis, E. Farley, F. J. M. Fedotovich, G. V. Giron, S. Gray, F. E. Grigoriev, D. Grosse-Perdekamp, M. Grossmann, A. Hare, M. F. Hertzog, D. W. Huang, X. Hughes, V. W. Iwasaki, M. Jungmann, K. Kawall, D. Kawamura, M. Khazin, B. I. Kindem, J. Krienen, F. Kronkvist, I. Lam, A. Larsen, R. Lee, Y. Y. Logashenko, I. McNabb, R. Meng, W. Mi, J. Miller, J. P. Mizumachi, Y. Morse, W. M. Nikas, D. Onderwater, C. J. G. Orlov, Y. Oezben, C. S. Paley, J. M. Peng, Q. Polly, C. C. Pretz, J. Prigl, R. Putlitz, G. zu Qian, T. Redin, S. I. Rind, O. Roberts, B. L. Ryskulov, N. Sedykh, S. Semertzidis, Y. K. Shagin, P. Shatunov, Yu. M. Sichtermann, E. P. Solodov, E. Sossong, M. Steinmetz, A. Sulak, L. R. Timmermans, C. Trofimov, A. Urner, D. von Walter, P. Warburton, D. Winn, D. Yamamoto, A. Zimmerman, D. CA Muon g-2 Collaboration TI Search for Lorentz and CPT violation effects in muon spin precession SO PHYSICAL REVIEW LETTERS LA English DT Article ID HIGHER-DIMENSIONAL THEORIES; ANOMALOUS MAGNETIC-MOMENT; SPACED DATA; STRINGS; INVARIANCE; SYMMETRY; VALUES AB The spin precession frequency of muons stored in the (g-2) storage ring has been analyzed for evidence of Lorentz and CPT violation. Two Lorentz and CPT violation signatures were searched for a nonzero Delta omega(a)(=omega(mu+)(a)-omega(mu-)(a)) and a sidereal variation of omega(mu+)(a). No significant effect is found, and the following limits on the standard-model extension parameters are obtained: b(Z)=-(1.0 +/- 1.1) x 10(-23) GeV; (m(mu)d(Z0)+H(XY))=(1.8 +/- 6.0) x 10(-23) GeV; and the 95% confidence level limits (b) over cap (mu+)(perpendicular to)< 1.4x10(-24) GeV and (b) over cap (mu-)(perpendicular to)< 2.6x10(-24) GeV. C1 [Bennett, G. W.; Brown, H. N.; Bunce, G.; Danby, G. T.; Larsen, R.; Lee, Y. Y.; Meng, W.; Mi, J.; Morse, W. M.; Nikas, D.; Oezben, C. S.; Prigl, R.; Semertzidis, Y. K.; Warburton, D.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Carey, R. M.; Efstathiadis, E.; Hare, M. F.; Huang, X.; Krienen, F.; Lam, A.; Logashenko, I.; Miller, J. P.; Paley, J. M.; Peng, Q.; Rind, O.; Roberts, B. L.; Sulak, L. R.; Trofimov, A.] Boston Univ, Dept Phys, Boston, MA 02215 USA. [Fedotovich, G. V.; Grigoriev, D.; Khazin, B. I.; Logashenko, I.; Redin, S. I.; Ryskulov, N.; Shatunov, Yu. M.; Solodov, E.] Budker Inst Nucl Phys, Novosibirsk 630090, Russia. [Orlov, Y.] Cornell Univ, Newman Lab, Ithaca, NY 14853 USA. [Winn, D.] Fairfield Univ, Fairfield, CT 06430 USA. [Jungmann, K.; Onderwater, C. J. G.] Univ Groningen, Kernfys Versneller Inst, NL-9747 AA Groningen, Netherlands. [Grossmann, A.; Jungmann, K.; Putlitz, G. zu; von Walter, P.] Univ Heidelberg, Inst Phys, D-69120 Heidelberg, Germany. [Debevec, P. T.; Deninger, W.; Gray, F. E.; Hertzog, D. W.; McNabb, R.; Onderwater, C. J. G.; Oezben, C. S.; Polly, C. C.; Sedykh, S.; Sossong, M.; Urner, D.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Mizumachi, Y.; Yamamoto, A.] High Energy Accelerator Res Org, KEK, Tsukuba, Ibaraki 3050801, Japan. [Bousquet, B.; Cushman, P.; Duong, L.; Giron, S.; Kindem, J.; Kronkvist, I.; McNabb, R.; Qian, T.; Shagin, P.; Timmermans, C.; Zimmerman, D.] Univ Minnesota, Dept Phys, Minneapolis, MN 55455 USA. [Mizumachi, Y.] Tokyo Univ Sci, Tokyo 1538902, Japan. [Iwasaki, M.; Kawamura, M.] Tokyo Inst Technol, Meguro Ku, Tokyo 1528551, Japan. [Deile, M.; Deng, H.; Dhawan, S. K.; Farley, F. J. M.; Grosse-Perdekamp, M.; Hughes, V. W.; Kawall, D.; Pretz, J.; Redin, S. I.; Sichtermann, E. P.; Steinmetz, A.] Yale Univ, Dept Phys, New Haven, CT 06520 USA. RP Bennett, GW (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. RI Jungmann, Klaus/A-7142-2010; jungmann, klaus/H-1581-2013; Semertzidis, Yannis K./N-1002-2013; Logashenko, Ivan/A-3872-2014; Iwasaki, Masahiko/M-8433-2014; OI jungmann, klaus/0000-0003-0571-4072; Iwasaki, Masahiko/0000-0002-3460-9469; Gray, Frederick/0000-0003-4073-8336 NR 26 TC 36 Z9 36 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. Rev. Lett. PD MAR 7 PY 2008 VL 100 IS 9 AR 091602 DI 10.1103/PhysRevLett.100.091602 PG 5 WC Physics, Multidisciplinary SC Physics GA 271BS UT WOS:000253764500017 PM 18352695 ER PT J AU De Santis, S Byrd, JM Caspers, F Krasnykh, A Kroyer, T Pivi, MTF Sonnad, KG AF De Santis, S. Byrd, J. M. Caspers, F. Krasnykh, A. Kroyer, T. Pivi, M. T. F. Sonnad, K. G. TI Measurement of electron clouds in large accelerators by microwave dispersion SO PHYSICAL REVIEW LETTERS LA English DT Article ID POSITRON STORAGE-RINGS; INSTABILITY; BEAM AB Clouds of low energy electrons in the vacuum beam pipes of accelerators of positively charged particle beams present a serious limitation for operation at high currents. Furthermore, it is difficult to probe their density over substantial lengths of the beam pipe. We have developed a novel technique to directly measure the electron cloud density via the phase shift induced in a TE wave transmitted over a section of the accelerator and used it to measure the average electron cloud density over a 50 m section in the positron ring of the PEP-II collider at the Stanford Linear Accelerator Center. C1 [De Santis, S.; Byrd, J. M.; Sonnad, K. G.] Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Krasnykh, A.; Pivi, M. T. F.] Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. [Caspers, F.; Kroyer, T.] CERN, Geneva, Switzerland. RP De Santis, S (reprint author), Ernest Orlando Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. NR 23 TC 14 Z9 14 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAR 7 PY 2008 VL 100 IS 9 AR 094801 DI 10.1103/PhysRevLett.100.094801 PG 4 WC Physics, Multidisciplinary SC Physics GA 271BS UT WOS:000253764500036 PM 18352714 ER PT J AU Eichel, RA Erhart, P Traskelin, P Albe, K Kungl, H Hoffmann, MJ AF Eichel, Ruediger-A. Erhart, Paul Traeskelin, Petra Albe, Karsten Kungl, Hans Hoffmann, Michael J. TI Defect-dipole formation in copper-doped PbTiO3 ferroelectrics SO PHYSICAL REVIEW LETTERS LA English DT Article ID ELECTRON-PARAMAGNETIC-RESONANCE; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; INTERNAL BIAS; BASIS-SET; CERAMICS; SPECTROSCOPY; TRANSITION; CENTERS; STRAIN AB The defect structure of hard copper-modified polycrystalline PbTiO3 ferroelectrics is investigated by means of electron paramagnetic resonance and hyperfine sublevel correlation spectroscopy, as well as density functional theory calculations. Special emphasis is put on the Pb-207-hyperfine couplings, which are resolved up to the third coordination sphere. The results prove that copper is incorporated at the octahedrally coordinated Ti site, acting as an acceptor. Because of charge compensation the formation of Cu impurity-oxygen vacancy pairs is energetically very favorable. The corresponding (Cu-Ti ''-V-O(center dot center dot))(x) defect dipole is found to be orientated along the [001] axis. C1 [Eichel, Ruediger-A.] Tech Univ Darmstadt, Eduard Zintl Inst, D-64287 Darmstadt, Germany. [Erhart, Paul] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Erhart, Paul; Albe, Karsten] Tech Univ Darmstadt, Inst Mat Wissensch, D-64287 Darmstadt, Germany. [Traeskelin, Petra] Univ Calif Davis, Davis, CA 95616 USA. [Kungl, Hans; Hoffmann, Michael J.] Univ Karlsruhe, Inst Ceram Mech Engn, D-76131 Karlsruhe, Germany. RP Eichel, RA (reprint author), Tech Univ Darmstadt, Eduard Zintl Inst, Petersenstr 30, D-64287 Darmstadt, Germany. EM eichel@chemie.tu-darmstadt.de RI Albe, Karsten/F-1139-2011; Erhart, Paul/G-6260-2011; OI Erhart, Paul/0000-0002-2516-6061; Eichel, Ruediger-A./0000-0002-0013-6325 NR 33 TC 71 Z9 72 U1 1 U2 54 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 MAR 7 PY 2008 VL 100 IS 9 AR 095504 DI 10.1103/PhysRevLett.100.095504 PG 4 WC Physics, Multidisciplinary SC Physics GA 271BS UT WOS:000253764500045 PM 18352723 ER PT J AU Hill, JP Blumberg, G Kim, YJ Ellis, DS Wakimoto, S Birgeneau, RJ Komiya, S Ando, Y Liang, B Greene, RL Casa, D Gog, T AF Hill, J. P. Blumberg, G. Kim, Young-June Ellis, D. S. Wakimoto, S. Birgeneau, R. J. Komiya, Seiki Ando, Yoichi Liang, B. Greene, R. L. Casa, D. Gog, T. TI Observation of a 500 meV collective mode in La2-xSrxCuO4 and Nd2CuO4 using resonant inelastic x-ray scattering SO PHYSICAL REVIEW LETTERS LA English DT Article ID 2-MAGNON RAMAN-SCATTERING; INPLANE SPECTRAL WEIGHT; EXCITATIONS AB Utilizing resonant inelastic x-ray scattering, we report a previously unobserved mode in the excitation spectrum of La2-xSrxCuO4 and Nd2CuO4 at 500 meV. The mode is peaked around the (pi, 0) point in reciprocal space and is observed to soften, and broaden, away from this point. Samples with x=0, 0.01, 0.05, and 0.17 were studied. The new mode is found to be rapidly suppressed with increasing Sr content and is absent at x=0.17, where it is replaced by a continuum of excitations. This mode is only observed when the incident x-ray polarization is normal to the CuO planes. C1 [Hill, J. P.] Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. [Hill, J. P.] Univ Oxford, Clarendon Lab, Dept Phys, Oxford OX1 3PU, England. [Blumberg, G.] Bell Labs, Murray Hill, NJ 07974 USA. [Kim, Young-June; Ellis, D. S.; Wakimoto, S.; Birgeneau, R. J.] Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. [Komiya, Seiki; Ando, Yoichi] Cent Res Inst Elect Power Ind, Tokyo 2018511, Japan. [Liang, B.; Greene, R. L.] Univ Maryland, Dept Phys, Ctr Supercond Res, College Pk, MD 20742 USA. [Casa, D.; Gog, T.] Argonne Natl Lab, CMC XOR, Adv Photon Source, Argonne, IL 60439 USA. RP Hill, JP (reprint author), Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. RI Hill, John/F-6549-2011; Kim, Young-June /G-7196-2011; Ando, Yoichi/B-8163-2013; Casa, Diego/F-9060-2016 OI Kim, Young-June /0000-0002-1172-8895; Ando, Yoichi/0000-0002-3553-3355; NR 32 TC 76 Z9 77 U1 3 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 MAR 7 PY 2008 VL 100 IS 9 AR 097001 DI 10.1103/PhysRevLett.100.097001 PG 4 WC Physics, Multidisciplinary SC Physics GA 271BS UT WOS:000253764500065 PM 18352743 ER PT J AU Hudson, SR Breslau, J AF Hudson, S. R. Breslau, J. TI Temperature contours and ghost surfaces for chaotic magnetic fields SO PHYSICAL REVIEW LETTERS LA English DT Article ID AREA-PRESERVING MAPS; HEAT-TRANSPORT; CIRCLES; TOKAMAK; PLASMAS; CANTORI AB Steady state solutions for anisotropic heat transport in a chaotic magnetic field are determined numerically and compared to a set of "ghost surfaces"-surfaces constructed via an action-gradient flow between the minimax and minimizing periodic orbits. The ghost surfaces are in remarkable agreement with the temperature contours. C1 [Hudson, S. R.; Breslau, J.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Hudson, SR (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RI Hudson, Stuart/H-7186-2013 OI Hudson, Stuart/0000-0003-1530-2733 NR 27 TC 26 Z9 26 U1 0 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAR 7 PY 2008 VL 100 IS 9 AR 095001 DI 10.1103/PhysRevLett.100.095001 PG 4 WC Physics, Multidisciplinary SC Physics GA 271BS UT WOS:000253764500037 PM 18352715 ER PT J AU Ji, N Ostroverkhov, V Tian, CS Shen, YR AF Ji, N. Ostroverkhov, V. Tian, C. S. Shen, Y. R. TI Characterization of vibrational resonances of water-vapor interfaces by phase-sensitive sum-frequency spectroscopy SO PHYSICAL REVIEW LETTERS LA English DT Article ID AIR-LIQUID INTERFACES; AIR/WATER INTERFACE; MOLECULAR-STRUCTURE; SALT-SOLUTIONS; SURFACE; GENERATION; SPECTRA; SIMULATIONS; CHEMISTRY; DYNAMICS AB Phase-sensitive sum-frequency spectroscopy provides correct characterization of vibrational resonances of water-vapor interfaces and allows better identification of interfacial water species contributing to different parts of the spectra. Iodine ions emerging at an interface create a surface field that tends to reorient the more loosely bonded water molecules below the topmost layer. C1 [Ji, N.; Ostroverkhov, V.; Tian, C. S.; Shen, Y. R.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Ji, N.; Ostroverkhov, V.; Tian, C. S.; Shen, Y. R.] Univ Calif Berkeley, Lawrence Berkeley 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 26 TC 173 Z9 173 U1 5 U2 82 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 MAR 7 PY 2008 VL 100 IS 9 AR 096102 DI 10.1103/PhysRevLett.100.096102 PG 4 WC Physics, Multidisciplinary SC Physics GA 271BS UT WOS:000253764500049 PM 18352727 ER PT J AU Mironets, O Meyerheim, HL Tusche, C Stepanyuk, VS Soyka, E Zschack, P Hong, H Jeutter, N Felici, R Kirschner, J AF Mironets, O. Meyerheim, H. L. Tusche, C. Stepanyuk, V. S. Soyka, E. Zschack, P. Hong, H. Jeutter, N. Felici, R. Kirschner, J. TI Direct evidence for mesoscopic relaxations in cobalt nanoislands on Cu(001) SO PHYSICAL REVIEW LETTERS LA English DT Article ID X-RAY-DIFFRACTION; SURFACE; GROWTH; CU(100); FILMS; CO; DYNAMICS; CRYSTAL; STRESS AB Surface x-ray diffraction in combination with scanning tunneling microscopy and molecular dynamics calculations provide first quantitative evidence for unusually large relaxations in nanometer-sized Co islands deposited on Cu(001) at 170 K. These lead to sharply reduced interatomic Co distances as low as 2.36 angstrom as compared to bulk Co (2.51 angstrom) involving low symmetry Co adsorption sites. Our results prove the validity of the concept of mesoscopic mismatch which governs the strain relaxation of nanosized islands in general. C1 [Mironets, O.; Meyerheim, H. L.; Tusche, C.; Stepanyuk, V. S.; Soyka, E.; Kirschner, J.] Max Planck Inst Mikrostrukturphys, D-06120 Halle, Germany. [Zschack, P.] APS Argonne Natl Lab, Argonne, IL 60439 USA. [Hong, H.] Univ Illinois, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA. [Jeutter, N.; Felici, R.] European Synchrotron Radiat Facil, F-38043 Grenoble, France. RP Mironets, O (reprint author), Max Planck Inst Mikrostrukturphys, Weinberg 2, D-06120 Halle, Germany. EM hmeyerhm@mpi-halle.mpg.de OI Tusche, Christian/0000-0001-6587-1956 NR 20 TC 35 Z9 35 U1 0 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAR 7 PY 2008 VL 100 IS 9 AR 096103 DI 10.1103/PhysRevLett.100.096103 PG 4 WC Physics, Multidisciplinary SC Physics GA 271BS UT WOS:000253764500050 PM 18352728 ER PT J AU Nemeth, K Shen, BG Li, YL Shang, HT Crowell, R Harkay, KC Cary, JR AF Nemeth, Karoly Shen, Baifei Li, Yuelin Shang, Hairong Crowell, Robert Harkay, Katherine C. Cary, John R. TI Laser-driven coherent betatron oscillation in a laser-wakefield cavity SO PHYSICAL REVIEW LETTERS LA English DT Article ID PLASMA; ACCELERATION; INJECTION; ELECTRONS; PULSES; REGIME; BEAMS AB The origin of beam disparity in emittance and betatron oscillation orbits, in and out of the polarization plane of the drive laser of laser-plasma accelerators, is explained in terms of betatron oscillations driven by the laser field. As trapped electrons accelerate, they move forward and interact with the laser pulse. For the bubble regime, a simple model is presented to describe this interaction in terms of a harmonic oscillator with a driving force from the laser and a restoring force from the plasma wake field. The resulting beam oscillations in the polarization plane, with period approximately the wavelength of the driving laser, increase emittance in that plane and cause microbunching of the beam. These effects are observed directly in 3D particle-in-cell simulations. C1 [Nemeth, Karoly; Shen, Baifei; Li, Yuelin; Shang, Hairong; Harkay, Katherine C.] Argonne Natl Lab, Accelerator Syst Div, Argonne, IL 60439 USA. [Nemeth, Karoly; Shen, Baifei; Li, Yuelin; Shang, Hairong; Harkay, Katherine C.] Argonne Natl Lab, Argonne Accelerator Inst, Argonne, IL 60439 USA. [Shen, Baifei] Shanghai Inst Opt & Fine Mech, State Key Lab High Field Laser Phys, Shanghai 201800, Peoples R China. [Crowell, Robert] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. [Cary, John R.] Univ Colorado, Ctr Integrated Plasma Studies, Boulder, CO 80309 USA. [Cary, John R.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Cary, John R.] Tech X Corp, Boulder, CO 80303 USA. RP Nemeth, K (reprint author), Argonne Natl Lab, Accelerator Syst Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM Nemeth@ANL.Gov RI Nemeth, Karoly/L-7806-2014; OI Nemeth, Karoly/0000-0001-8366-1397; Li, Yuelin/0000-0002-6229-7490 NR 25 TC 60 Z9 61 U1 2 U2 28 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAR 7 PY 2008 VL 100 IS 9 AR 095002 DI 10.1103/PhysRevLett.100.095002 PG 4 WC Physics, Multidisciplinary SC Physics GA 271BS UT WOS:000253764500038 PM 18352716 ER PT J AU Souvatzis, P Eriksson, O Katsnelson, MI Rudin, SP AF Souvatzis, P. Eriksson, O. Katsnelson, M. I. Rudin, S. P. TI Entropy driven stabilization of energetically unstable crystal structures explained from first principles theory SO PHYSICAL REVIEW LETTERS LA English DT Article ID GROUP-IV METALS; ANHARMONIC LATTICE-DYNAMICS; TOTAL-ENERGY CALCULATIONS; BCC PHASE; PHONON-DISPERSION; TRANSITION-METALS; ZR; MODEL AB Conventional methods to calculate the thermodynamics of crystals evaluate the harmonic phonon spectra and therefore do not work in frequent and important situations where the crystal structure is unstable in the harmonic approximation, such as the body-centered cubic (bcc) crystal structure when it appears as a high-temperature phase of many metals. A method for calculating temperature dependent phonon spectra self-consistently from first principles has been developed to address this issue. The method combines concepts from Born's interatomic self-consistent phonon approach with first principles calculations of accurate interatomic forces in a supercell. The method has been tested on the high-temperature bcc phase of Ti, Zr, and Hf, as representative examples, and is found to reproduce the observed high-temperature phonon frequencies with good accuracy. C1 [Souvatzis, P.; Eriksson, O.] Uppsala Univ, Dept Phys, SE-75121 Uppsala, Sweden. [Katsnelson, M. I.] Radboud Univ Nijmegen, Inst Mol & Mat, NL-6525 ED Nijmegen, Netherlands. [Rudin, S. P.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Souvatzis, P (reprint author), Uppsala Univ, Dept Phys, Box 530, SE-75121 Uppsala, Sweden. RI Katsnelson, Mikhail/D-4359-2012; Eriksson, Olle/E-3265-2014 OI Eriksson, Olle/0000-0001-5111-1374 NR 24 TC 119 Z9 120 U1 3 U2 35 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 MAR 7 PY 2008 VL 100 IS 9 AR 095901 DI 10.1103/PhysRevLett.100.095901 PG 4 WC Physics, Multidisciplinary SC Physics GA 271BS UT WOS:000253764500047 PM 18352725 ER PT J AU Wu, XL Liao, XZ Srinivasan, SG Zhou, F Lavernia, EJ Valiev, RZ Zhu, YT AF Wu, X. L. Liao, X. Z. Srinivasan, S. G. Zhou, F. Lavernia, E. J. Valiev, R. Z. Zhu, Y. T. TI New deformation twinning mechanism generates zero macroscopic strain in nanocrystalline metals SO PHYSICAL REVIEW LETTERS LA English DT Article ID MOLECULAR-DYNAMICS SIMULATION; ALUMINUM; TWINS; CRYSTALS AB Macroscopic strain was hitherto considered a necessary corollary of deformation twinning in coarse-grained metals. Recently, twinning has been found to be a preeminent deformation mechanism in nanocrystalline face-centered-cubic (fcc) metals with medium-to-high stacking fault energies. Here we report a surprising discovery that the vast majority of deformation twins in nanocrystalline Al, Ni, and Cu, contrary to popular belief, yield zero net macroscopic strain. We propose a new twinning mechanism, random activation of partials, to explain this unusual phenomenon. The random activation of partials mechanism appears to be the most plausible mechanism and may be unique to nanocrystalline fcc metals with implications for their deformation behavior and mechanical properties. C1 [Srinivasan, S. G.; Zhu, Y. T.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87544 USA. [Wu, X. L.] Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100080, Peoples R China. [Liao, X. Z.] Univ Sydney, Sch Aerosp Mech & Mechatron Engn, Sydney, NSW 2006, Australia. [Srinivasan, S. G.] Univ N Texas, Dept Mat Sci & Engn, Denton, TX 76203 USA. [Zhou, F.; Lavernia, E. J.] Univ Calif Davis, Davis, CA 95616 USA. [Valiev, R. Z.] Ufa State Aviat Tech Univ, Ufa 450000, Russia. [Zhu, Y. T.] N Carolina State Univ, Raleigh, NC 27695 USA. RP Srinivasan, SG (reprint author), Los Alamos Natl Lab, Mat Sci & Technol Div, POB 1663, Los Alamos, NM 87544 USA. EM Srivilliputhur@egw.unt.edu; ytzhu@ncsu.edu RI Zhu, Yuntian/B-3021-2008; Liao, Xiaozhou/B-3168-2009; Lavernia, Enrique/I-6472-2013 OI Zhu, Yuntian/0000-0002-5961-7422; Liao, Xiaozhou/0000-0001-8565-1758; Lavernia, Enrique/0000-0003-2124-8964 NR 26 TC 87 Z9 88 U1 6 U2 80 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 MAR 7 PY 2008 VL 100 IS 9 AR 095701 DI 10.1103/PhysRevLett.100.095701 PG 4 WC Physics, Multidisciplinary SC Physics GA 271BS UT WOS:000253764500046 PM 18352724 ER PT J AU Yang, YF Pines, D AF Yang, Yi-Feng Pines, David TI Universal behavior in heavy-electron materials SO PHYSICAL REVIEW LETTERS LA English DT Article AB We present our finding that an especially simple scaling expression describes the formation of a new state of quantum matter, the Kondo Fermi liquid (KL) in heavy-electron materials. Emerging at T-* as a result of the collective coherent hybridization of localized f electrons and conduction electrons, the KL possesses a non-Landau density of states varying as (1-T/T-*)(3/2)[1+ln(T-*/T)]. We show that four independent experimental probes verify this scaling behavior and that for CeIrIn5 the KL state density is in excellent agreement with the recent microscopic calculations. C1 [Yang, Yi-Feng] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Pines, David] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. RP Yang, YF (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 13 TC 52 Z9 53 U1 1 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAR 7 PY 2008 VL 100 IS 9 AR 096404 DI 10.1103/PhysRevLett.100.096404 PG 4 WC Physics, Multidisciplinary SC Physics GA 271BS UT WOS:000253764500056 PM 18352734 ER PT J AU Faddegon, BA Perl, J Asai, M AF Faddegon, Bruce A. Perl, Joseph Asai, Makoto TI Monte Carlo simulation of large electron fields SO PHYSICS IN MEDICINE AND BIOLOGY LA English DT Article ID THICK TARGETS; PHOTON; BEAMS; BREMSSTRAHLUNG; DOSIMETRY; TRANSPORT; INCIDENT; VERSION; GEANT4; PB AB Two Monte Carlo systems, EGSnrc and Geant4, the latter with two different `physicslists,' were used to calculate dose distributions in large electron fields used in radiotherapy. Source and geometry parameters were adjusted to match calculated results to measurement. Both codes were capable of accurately reproducing the measured dose distributions of the six electron beams available on the accelerator. Depth penetration matched the average measured with a diode and parallel-plate chamber to 0.04 cm or better. Calculated depth dose curves agreed to 2% with diode measurements in the build-up region, although for the lower beam energies there was a discrepancy of up to 5% in this region when calculated results are compared to parallel-plate measurements. Dose profiles at the depth of maximum dose matched to 2-3% in the central 25 cm of the field, corresponding to the field size of the largest applicator. A 4% match was obtained outside the central region. The discrepancy observed in the bremsstrahlung tail in published results that used EGS4 is no longer evident. Simulations with the different codes and physics lists used different source energies, incident beam angles, thicknesses of the primary foils, and distance between the primary and secondary foil. The true source and geometry parameters were not known with sufficient accuracy to determine which parameter set, including the energy of the source, was closest to the truth. These results underscore the requirement for experimental benchmarks of depth penetration and electron scatter for beam energies and foils relevant to radiotherapy. C1 [Faddegon, Bruce A.] Univ Calif San Francisco, Ctr Comprehens Canc, San Francisco, CA 94143 USA. [Perl, Joseph; Asai, Makoto] Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Faddegon, BA (reprint author), Univ Calif San Francisco, Ctr Comprehens Canc, 1600 Divisadero St, San Francisco, CA 94143 USA. EM bfaddegon@radonc.ucsf.edu FU NCI NIH HHS [R01 CA104777-01A2, R01 CA104777-02, R01 CA104777] NR 21 TC 18 Z9 18 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0031-9155 J9 PHYS MED BIOL JI Phys. Med. Biol. PD MAR 7 PY 2008 VL 53 IS 5 BP 1497 EP 1510 DI 10.1088/0031-9155/53/5/021 PG 14 WC Engineering, Biomedical; Radiology, Nuclear Medicine & Medical Imaging SC Engineering; Radiology, Nuclear Medicine & Medical Imaging GA 276WY UT WOS:000254175600022 PM 18296775 ER PT J AU Chowell, G Bettencourt, LMA Johnson, N Alonso, WJ Viboud, C AF Chowell, Gerardo Bettencourt, Luis M. A. Johnson, Niall Alonso, Wladimir J. Viboud, Cecile TI The 1918-1919 influenza pandemic in England and Wales: spatial patterns in transmissibility and mortality impact SO PROCEEDINGS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES LA English DT Article DE influenza; Spanish flu pandemic; reproduction number; demographics; scaling laws; England and Wales ID EPIDEMIC; DYNAMICS; INTERVENTIONS; INFECTIONS; DISEASE; AGENTS; RATES; CITY AB Spatial variations in disease patterns of the 1918-1919 influenza pandemic remain poorly studied. We explored the association between influenza death rates, transmissibility and several geographical and demographic indicators for the autumn and winter waves of the 1918-1919 pandemic in cities, towns and rural areas of England and Wales. Average measures of transmissibility, estimated by the reproduction number, ranged between 1.3 and 1.9, depending on model assumptions and pandemic wave and showed little spatial variation. Death rates varied markedly with urbanization, with 30-40% higher rates in cities and towns compared with rural areas. In addition, death rates varied with population size across rural settings, where low population areas fared worse. By contrast, we found no association between transmissibility, death rates and indicators of population density and residential crowding. Further studies of the geographical mortality patterns associated with the 1918-1919 influenza pandemic may be useful for pandemic planning. C1 [Chowell, Gerardo] Arizona State Univ, Sch Human Evolut & Social Change, Tempe, AZ 85287 USA. [Chowell, Gerardo; Bettencourt, Luis M. A.] Los Alamos Natl Lab, Div Theoret, Ctr Nonlinear Studies & Math Modeing & Anal MS B2, Los Alamos, NM 87545 USA. [Bettencourt, Luis M. A.] Santa Fe Inst, Santa Fe, NM 87501 USA. [Johnson, Niall] Australian Commiss Safety & Quality Hlth Care, Sydney, NSW 2001, Australia. [Alonso, Wladimir J.; Viboud, Cecile] NCI, Fogarty Int Ctr, Bethesda, MD 20892 USA. RP Chowell, G (reprint author), Arizona State Univ, Sch Human Evolut & Social Change, POB 872402, Tempe, AZ 85287 USA. EM gchowell82@asu.edu RI Chowell, Gerardo/A-4397-2008; Chowell, Gerardo/F-5038-2012 OI Chowell, Gerardo/0000-0003-2194-2251 NR 42 TC 55 Z9 56 U1 2 U2 18 PU ROYAL SOC PI LONDON PA 6-9 CARLTON HOUSE TERRACE, LONDON SW1Y 5AG, ENGLAND SN 0962-8452 EI 1471-2954 J9 P ROY SOC B-BIOL SCI JI Proc. R. Soc. B-Biol. Sci. PD MAR 7 PY 2008 VL 275 IS 1634 BP 501 EP 509 DI 10.1098/rspb.2007.1477 PG 9 WC Biology; Ecology; Evolutionary Biology SC Life Sciences & Biomedicine - Other Topics; Environmental Sciences & Ecology; Evolutionary Biology GA 256YC UT WOS:000252764800004 PM 18156123 ER PT J AU Jones, GH Roussos, E Krupp, N Beckmann, U Coates, AJ Crary, F Dandouras, I Dikarev, V Dougherty, MK Garnier, P Hansen, CJ Hendrix, AR Hospodarsky, GB Johnson, RE Kempf, S Khurana, KK Krimigis, SM Kruger, H Kurth, WS Lagg, A McAndrews, HJ Mitchell, DG Paranicas, C Postberg, F Russell, CT Saur, J Seiss, M Spahn, F Srama, R Strobel, DF Tokar, R Wahlund, JE Wilson, RJ Woch, J Young, D AF Jones, G. H. Roussos, E. Krupp, N. Beckmann, U. Coates, A. J. Crary, F. Dandouras, I. Dikarev, V. Dougherty, M. K. Garnier, P. Hansen, C. J. Hendrix, A. R. Hospodarsky, G. B. Johnson, R. E. Kempf, S. Khurana, K. K. Krimigis, S. M. Krueger, H. Kurth, W. S. Lagg, A. McAndrews, H. J. Mitchell, D. G. Paranicas, C. Postberg, F. Russell, C. T. Saur, J. Seiss, M. Spahn, F. Srama, R. Strobel, D. F. Tokar, R. Wahlund, J. -E. Wilson, R. J. Woch, J. Young, D. TI The dust halo of Saturn's largest icy moon, Rhea SO SCIENCE LA English DT Article ID PLANETARY SATELLITES; CASSINI; MAGNETOSPHERE; CLOUDS AB Saturn's moon Rhea had been considered massive enough to retain a thin, externally generated atmosphere capable of locally affecting Saturn's magnetosphere. The Cassini spacecraft's in situ observations reveal that energetic electrons are depleted in the moon's vicinity. The absence of a substantial exosphere implies that Rhea's magnetospheric interaction region, rather than being exclusively induced by sputtered gas and its products, likely contains solid material that can absorb magnetospheric particles. Combined observations from several instruments suggest that this material is in the form of grains and boulders up to several decimetres in size and orbits Rhea as an equatorial debris disk. Within this disk may reside denser, discrete rings or arcs of material. C1 [Jones, G. H.; Roussos, E.; Krupp, N.; Dikarev, V.; Krueger, H.; Lagg, A.; Woch, J.] Max Planck Inst Sonnensystemforsch, D-37191 Katlenburg Lindau, Germany. [Jones, G. H.; Coates, A. J.; McAndrews, H. J.] UCL, Mullard Space Sci Lab, Dept Space & Climate Phys, Dorking RH5 6NT, Surrey, England. [Jones, G. H.; Coates, A. J.] UCL, Ctr Planetary Sci, London WC1E 6BT, England. [Beckmann, U.; Dikarev, V.; Kempf, S.; Postberg, F.; Srama, R.] Max Planck Inst Kernphys, D-69117 Heidelberg, Germany. [Crary, F.; Young, D.] SW Res Inst, San Antonio, TX 78238 USA. [Dandouras, I.; Garnier, P.] Univ Toulouse 3, CNRS, Ctr Etud Spatiale Rayonnements, F-31400 Toulouse, France. [Dikarev, V.] St Petersburg State Univ, Inst Astron, St Petersburg 198504, Russia. [Dougherty, M. K.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2BW, England. [Garnier, P.; Wahlund, J. -E.] Swedish Inst Space Phys, S-75121 Uppsala, Sweden. [Hansen, C. J.; Hendrix, A. R.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Hospodarsky, G. B.; Kurth, W. S.] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. [Johnson, R. E.] Univ Virginia, Dept Mat Sci & Engn, Charlottesville, VA 22904 USA. [Khurana, K. K.; Russell, C. T.] Univ Calif Los Angeles, Inst Geophys & Planetary Phys, Los Angeles, CA 90095 USA. [Krimigis, S. M.; Mitchell, D. G.; Paranicas, C.] Johns Hopkins Univ, Appl Phys Lab, Laurel, MD 20723 USA. [Krimigis, S. M.] Acad Athens, Athens 11527, Greece. [Saur, J.] Univ Cologne, Inst Geophys & Meteorol, D-50923 Cologne, Germany. [Seiss, M.; Spahn, F.] Univ Potsdam, AG Nichtlineare Dynam, D-14469 Potsdam, Germany. [Strobel, D. F.] Johns Hopkins Univ, Dept Earth & Planetary Sci, Baltimore, MD 21218 USA. [McAndrews, H. J.; Tokar, R.; Wilson, R. J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Jones, GH (reprint author), Max Planck Inst Sonnensystemforsch, Max Planck Str 2, D-37191 Katlenburg Lindau, Germany. EM ghj@mssl.ucl.ac.uk RI Roussos, Elias/H-2249-2011; Coates, Andrew/C-2396-2008; Wilson, Rob/C-2689-2009; Jones, Geraint/C-1682-2008; Paranicas, Christopher/B-1470-2016; OI Coates, Andrew/0000-0002-6185-3125; Jones, Geraint/0000-0002-5859-1136; Wilson, Rob/0000-0001-9276-2368; Paranicas, Christopher/0000-0002-4391-8255; Dandouras, Iannis/0000-0002-7121-1118; KEMPF, SASCHA/0000-0001-5236-3004; Kurth, William/0000-0002-5471-6202; Hospodarsky, George/0000-0001-9200-9878; Roussos, Elias/0000-0002-5699-0678 FU Science and Technology Facilities Council [PP/D00084X/1] NR 22 TC 41 Z9 41 U1 1 U2 4 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 MAR 7 PY 2008 VL 319 IS 5868 BP 1380 EP 1384 DI 10.1126/science.1151524 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 270HW UT WOS:000253712900041 PM 18323452 ER PT J AU Masuda-Jindo, K Van Hung, V Hoa, NT Turchi, PEA AF Masuda-Jindo, K. Van Hung, Vu Hoa, N. T. Turchi, P. E. A. TI First principles calculations of thermodynamic and mechanical properties of high temperature bcc Ta-W and Mo-Ta alloys SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 12th International IUPAC Conference on High Temperature Materials Chemistry CY SEP 18-22, 2006 CL Vienna, AUSTRIA SP IUPAC DE statistical moment method; cluster variation method; TB-LMTO method; coherent potential approximation; Ta-W and Mo-Ta alloys ID ELASTIC-CONSTANTS; VIBRATIONAL ENTROPY; ANHARMONIC CRYSTALS; MOLECULAR-DYNAMICS; MOMENTUM METHOD; AB-INITIO; MOLYBDENUM; TUNGSTEN; METALS AB The thermodynamic quantities of high temperature metals and alloys are studied using the statistical moment method, going beyond the quasi-harmonic approximations. Including the power moments of the atomic displacements up to the fourth order, the Helmholtz free energies and the related thermodynamic quantities are derived explicitly in closed analytic forms. The configurational entropy term is taken into account by using the tetrahedron cluster approximation of the cluster variation method (CVM). The energetics of the binary (Ta-W and Mo-Ta) alloys are treated within the framework of the first-principles TB-LMTO (tight-binding linear muffin tin orbital) method coupled to CPA (coherent potential approximation) and GPM (generalized perturbation method). The equilibrium phase diagrams are calculated for the refractory Ta-W and Mo-Ta bcc alloys. In addition, the mechanical properties, i.e., temperature dependence of the elastic moduli C-11, C-12 and C-44 and those of the ideal tensile and shear strengths of the bcc Ta-W and Ta-Mo alloys have been also studied. (c) 2007 Published by Elsevier B.V. C1 Tokyo Inst Technol, Dept Mat Sci & Engn, Midori Ku, Yokohama, Kanagawa 2268503, Japan. [Van Hung, Vu; Hoa, N. T.] Hanoi Natl Pedagog Univ, Dept Phys, Hanoi, Vietnam. [Turchi, P. E. A.] Lawrence Livermore Natl Lab, L 353 LLNL, Livermore, CA 94551 USA. RP Masuda-Jindo, K (reprint author), Tokyo Inst Technol, Dept Mat Sci & Engn, Midori Ku, Nagatsuta 4259, Yokohama, Kanagawa 2268503, Japan. EM kmjindo@issp.u-tokyo.ac.jp NR 36 TC 12 Z9 12 U1 5 U2 29 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 EI 1873-4669 J9 J ALLOY COMPD JI J. Alloy. Compd. PD MAR 6 PY 2008 VL 452 IS 1 BP 127 EP 132 DI 10.1016/j.jallcom.2006.12.163 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 275JB UT WOS:000254066600026 ER PT J AU Kathmann, SM Schenter, GK Xantheas, SS AF Kathmann, Shawn M. Schenter, Gregory K. Xantheas, Sotiris S. TI On the determination of monomer dissociation energies of small water clusters from photoionization experiments SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Letter ID TRANSFERABLE INTERACTION MODELS; AB-INITIO; BINDING-ENERGIES; BASIS-SETS; HYDROGEN; DIMER AB Recently, monomer dissociation energies of neutral water clusters were estimated via a thermodynamic cycle that utilized the measured appearance energies of vacuum ultraviolet (VUV) photoionized water clusters and the previously reported dissociation energies of protonated water clusters. The thermodynamic cycle incorrectly assumed that the energy difference between the (H2O)(n)(+) -> (H2O)(n-1)H+ + OH center dot asymptotes (the relaxation energy) was zero. We show that these relaxation energies are large and cannot be neglected in the analysis. Thus, the neutral water cluster monomer dissociation energies cannot be directly determined from the measured ionization potentials because they are themselves involved in the appropriate thermodynamic cycle. C1 [Kathmann, Shawn M.; Schenter, Gregory K.; Xantheas, Sotiris S.] Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99352 USA. RP Kathmann, SM (reprint author), Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99352 USA. RI Schenter, Gregory/I-7655-2014; Xantheas, Sotiris/L-1239-2015; OI Schenter, Gregory/0000-0001-5444-5484; Xantheas, Sotiris/0000-0002-6303-1037 NR 19 TC 4 Z9 4 U1 0 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD MAR 6 PY 2008 VL 112 IS 9 BP 1851 EP 1853 DI 10.1021/jp710624r PG 3 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 267MH UT WOS:000253512600001 PM 18266345 ER PT J AU Averkiev, BB Call, S Boldyrev, AI Wang, LM Huang, W Wang, LS AF Averkiev, Boris B. Call, Seth Boldyrev, Alexander I. Wang, Lei-Ming Huang, Wei Wang, Lai-Sheng TI Photoelectron spectroscopy and Ab initio study of the structure and bonding of Al7N- and Al7N SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID MOLECULAR-ORBITAL METHODS; VALENCE BASIS-SETS; ELECTRON PROPAGATOR CALCULATIONS; TETRACOORDINATE PLANAR CARBON; DOPED ALUMINUM CLUSTERS; IONIZATION ENERGIES; GENETIC-ALGORITHM; 2ND-ROW ELEMENTS; 1ST-ROW ELEMENTS; ANION AB The electronic and geometrical structures of Al7N- are investigated using photoelectron spectroscopy and ab initio calculations. Photoelectron spectra of Al7N- have been obtained at three photon energies with six resolved spectral features at 193 nm. The spectral features of Al7N- are relatively broad, in particular for the ground state transition, indicating a large geometrical change from the ground state of Al7N- to that of Al7N. The ground state vertical detachment energy is measured to be 2.71 eV, whereas only an upper limit of similar to 1.9 eV can be estimated for the ground state adiabatic detachment energy due to the broad detachment band. Global minimum searches for Al7N- and Al7N are performed using several theoretical methods. Vertical electron detachment energies are calculated using three different methods for the lowest energy structure and compared with the experimental data. Calculated results are in excellent agreement With the experimental data. The global minimum structure of Al7N- is found to possess C-3v symmetry, which can be viewed as an Al atom capping a face of a N-centered Al6N octahedron. In the ground state of Al7N, however, the capping Al atom is pushed inward with the three adjacent Al-Al distances being stretched outward. Thus, even though Al7N still possesses C-3v symmetry, it is better viewed as a N-coordinated by seven Al atoms in a cage-like structure. The chemical bonding in Al7N- is discussed on the basis of molecular orbital and natural bond analysis. C1 [Averkiev, Boris B.; Call, Seth; Boldyrev, Alexander I.] Utah State Univ, Dept Chem & Biochem, Logan, UT 84322 USA. [Wang, Lei-Ming; Huang, Wei; Wang, Lai-Sheng] Washington State Univ, Dept Phys, Richland, WA 99354 USA. [Wang, Lei-Ming; Huang, Wei; Wang, Lai-Sheng] Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99352 USA. RP Boldyrev, AI (reprint author), Utah State Univ, Dept Chem & Biochem, 0300 Old Main Hill, Logan, UT 84322 USA. EM boldyrev@cc.usu.edu; ls.wang@pnl.gov RI Wang, Leiming/A-3937-2011; Boldyrev, Alexander/C-5940-2009 OI Boldyrev, Alexander/0000-0002-8277-3669 NR 63 TC 20 Z9 20 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 MAR 6 PY 2008 VL 112 IS 9 BP 1873 EP 1879 DI 10.1021/jp7106236 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 267MH UT WOS:000253512600005 PM 18232674 ER PT J AU Montgomery, W Crowhurst, JC Zaug, JM Jeanloz, R AF Montgomery, W. Crowhurst, J. C. Zaug, J. M. Jeanloz, R. TI The chemistry of cyanuric acid (H(3)C(3)N(3)O(3)) under high pressure and high temperature SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID ISOCYANIC ACID; CALIBRATION; MOLECULES; GAUGE AB We have studied cyanuric acid (H(3)C(3)N(3)O(3)) at static pressures up to 8.1 GPa and simultaneous temperatures up to 750 K, using primarily infrared absorption spectroscopy and visual observation. The corresponding phase diagram compares favorably with theoretical predictions of metastable organic materials. Two reactions were observed and characterized; both are irreversible. Below 2 GPa, melting is accompanied by a decomposition reaction, and upon cooliner, cyanuric acid is not recovered. Above 2 GPa, heating results in a solid product recoverable at ambient conditions. Corresponding infrared spectra suggest that pressure leads to the formation of heterocycles of increasing complexity and biological potential, with the composition determined by the pressure of formation. Cyanuric acid is of interest at these conditions because it and its monomer, isocyanic acid, are "prebiotic" compounds found in stellar dust clouds, meteorites, and other remnants of the early Earth. C1 [Montgomery, W.; Jeanloz, R.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Crowhurst, J. C.; Zaug, J. M.] Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, Livermore, CA 94551 USA. RP Montgomery, W (reprint author), Univ Calif Berkeley, Dept Earth & Planetary Sci, 307 McCone Hall, Berkeley, CA 94720 USA. RI Montgomery, Wren/K-6369-2013 OI Montgomery, Wren/0000-0002-8076-8575 NR 25 TC 11 Z9 11 U1 2 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 MAR 6 PY 2008 VL 112 IS 9 BP 2644 EP 2648 DI 10.1021/jp073589y PG 5 WC Chemistry, Physical SC Chemistry GA 267MA UT WOS:000253511900013 PM 18266349 ER PT J AU Chempath, S Einsla, BR Pratt, LR Macomber, CS Boncella, JM Rau, JA Pivovar, BS AF Chempath, Shaji Einsla, Brian R. Pratt, Lawrence R. Macomber, Clay S. Boncella, James M. Rau, Jonathan A. Pivovar, Bryan S. TI Mechanism of tetraalkylammonium headgroup degradation in alkaline fuel cell membranes SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Letter ID ANION-EXCHANGE MEMBRANES AB Cationic headgroups such as tetramethylammonium (TMA) undergo degradation in alkaline conditions through two different mechanisms. In the first mechanism, a hydroxide. ion performs an S(N)2 attack on the methyl groups and directly forms methanol. In the second mechanism, an ylide (trimethylammonium methylide) and a water molecule are formed by the abstraction of a proton from a methyl group. The ylide subsequently reacts with water to form methanol. Both pathways have the same overall barrier as observed in our reaction path calculations with density functional theory. The ylide mechanism is verified by H-D exchange observed between the aqueous phase and the cationic head group. We also discuss the effect of the medium and the water content on the calculated reaction barriers. Good solvation of the head-groups and hydroxide ions is essential for the overall chemical stability of alkaline membranes. C1 [Chempath, Shaji; Pratt, Lawrence R.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Einsla, Brian R.; Macomber, Clay S.; Boncella, James M.; Rau, Jonathan A.; Pivovar, Bryan S.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Pratt, LR (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM lpratt@tulane.edu RI Pratt, Lawrence/H-7955-2012; OI Pratt, Lawrence/0000-0003-2351-7451; Boncella, James/0000-0001-8393-392X NR 13 TC 162 Z9 164 U1 4 U2 93 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAR 6 PY 2008 VL 112 IS 9 BP 3179 EP 3182 DI 10.1021/jp7115577 PG 4 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 267MF UT WOS:000253512400005 ER PT J AU Gilman, Y Allen, PB Hybertsen, MS AF Gilman, Yulia Allen, Philip B. Hybertsen, Mark S. TI Density-functional study of adsorption of isocyanides on a gold(111) surface SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID GENERALIZED GRADIENT APPROXIMATION; SPACE GAUSSIAN PSEUDOPOTENTIALS; SELF-ASSEMBLED MONOLAYERS; ALLIGATOR CLIPS; CARBON-MONOXIDE; ELECTRONIC TRANSPORT; GOLD NANOPARTICLES; MOLECULAR JUNCTION; POWDERED GOLD; AU AB Density functional theory within the generalized-gradient approximation is used to study the adsorption of the isocyanides CNH and CNCH3 on the gold (111) surface at several coverages. It is found that these molecules are highly selective in their adsorption site preference. Adsorption is possible only at the top site, although binding is rather weak and dipole-dipole repulsion prevents binding at coverages of 1/3 ML and higher. At all other high-symmetry sites considered (hexagonal close-packed, face-centered cubic, bridge), the isocyanides are not bound. To reveal the main mechanisms of bonding, the isocyanides are compared to CO and ammonia using Au-X radicals as model systems. The systematic trends are understood in terms of sigma donation from the ligand lone pair and pi* back-donation. Finally, CNH is found to be more strongly bound to an undercoordinated gold atom (adatom) on the surface. C1 [Gilman, Yulia; Allen, Philip B.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Allen, Philip B.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Hybertsen, Mark S.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Hybertsen, Mark S.] Columbia Univ, Ctr Electron Transport Mol Nanostruct, New York, NY 10027 USA. RP Allen, PB (reprint author), SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. OI Hybertsen, Mark S/0000-0003-3596-9754 NR 68 TC 16 Z9 16 U1 0 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAR 6 PY 2008 VL 112 IS 9 BP 3314 EP 3320 DI 10.1021/jp0745541 PG 7 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 267MF UT WOS:000253512400025 ER PT J AU Jensen, LL Muckerman, JT Newton, MD AF Jensen, Lin Lin Muckerman, James T. Newton, Marshall D. TI First-principles studies of the structural and electronic properties of the (Ga1-xZnx)(N1-xOx) solid solution photocatalyst SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID GENERALIZED GRADIENT APPROXIMATION; VISIBLE-LIGHT; SEMICONDUCTOR ALLOYS; ENERGY CALCULATIONS; HYDROGEN-PRODUCTION; LATTICE-PARAMETERS; OPTICAL-PROPERTIES; GALLIUM NITRIDE; BAND OFFSETS; WATER AB Design of visible-light-driven photocatalytic materials has attracted intense interest in recent years in an attempt to enhance photonic efficiencies of hydrogen production via water splitting. Recent studies have shown that a solid solution of GaN and ZnO, (Ga1-xZnx)(N1-xOx), can oxidize water under visible light in the presence of a sacrificial electron acceptor. Here we present a systematic study of the structural and electronic properties of this (Ga1-xZnx)(N1-xOx) solid solution as a function of zinc (oxygen) concentration, x, using density-functional theory (DFT). The DFT+U approach has been adopted, and two different periodic supercells, the 16-atom (Ga8-nZnn)(N8-nOn) and 32-atom (Ga16-nZnn)(N16-nOn), have been used to model this solid solution. Results obtained from both supercells are in qualitative agreement with available experimental findings (in the lower concentration range x < 0.25), although overall the larger 32-atom supercell provides a better description of the (Ga1-xZnx)(N1-xOx) solid solution. Downward bowing of the band gap over the entire composition range has been observed for both supercells, and the minimum "experimental" band gap is estimated to be about 2.29 eV for the intermediate concentration x = 0.525. This suggests that the photocatalytic activity of this solid solution can be improved further by increasing its zinc (oxygen) concentration. C1 [Muckerman, James T.; Newton, Marshall D.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Jensen, Lin Lin] Penn State Univ, Dept Chem, State Coll, PA 16803 USA. RP Muckerman, JT (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM muckerma@bnl.gov RI Muckerman, James/D-8752-2013; Jensen, Linlin/A-2272-2015 NR 47 TC 77 Z9 77 U1 8 U2 66 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD MAR 6 PY 2008 VL 112 IS 9 BP 3439 EP 3446 DI 10.1021/jp073554y PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 267MF UT WOS:000253512400044 ER PT J AU Martin, F Aerts, A Ahren, D Brun, A Danchin, EGJ Duchaussoy, F Gibon, J Kohler, A Lindquist, E Pereda, V Salamov, A Shapiro, HJ Wuyts, J Blaudez, D Buee, M Brokstein, P Canback, B Cohen, D Courty, PE Coutinho, PM Delaruelle, C Detter, JC Deveau, A DiFazio, S Duplessis, S Fraissinet-Tachet, L Lucic, E Frey-Klett, P Fourrey, C Feussner, I Gay, G Grimwood, J Hoegger, PJ Jain, P Kilaru, S Labbe, J Lin, YC Legue, V Le Tacon, F Marmeisse, R Melayah, D Montanini, B Muratet, M Nehls, U Niculita-Hirzel, H Oudot-Le Secq, MP Peter, M Quesneville, H Rajashekar, B Reich, M Rouhier, N Schmutz, J Yin, T Chalot, M Henrissat, B Kues, U Lucas, S Van de Peer, Y Podila, GK Polle, A Pukkila, PJ Richardson, PM Rouze, P Sanders, IR Stajich, JE Tunlid, A Tuskan, G Grigoriev, IV AF Martin, F. Aerts, A. Ahren, D. Brun, A. Danchin, E. G. J. Duchaussoy, F. Gibon, J. Kohler, A. Lindquist, E. Pereda, V. Salamov, A. Shapiro, H. J. Wuyts, J. Blaudez, D. Buee, M. Brokstein, P. Canback, B. Cohen, D. Courty, P. E. Coutinho, P. M. Delaruelle, C. Detter, J. C. Deveau, A. DiFazio, S. Duplessis, S. Fraissinet-Tachet, L. Lucic, E. Frey-Klett, P. Fourrey, C. Feussner, I. Gay, G. Grimwood, J. Hoegger, P. J. Jain, P. Kilaru, S. Labbe, J. Lin, Y. C. Legue, V. Le Tacon, F. Marmeisse, R. Melayah, D. Montanini, B. Muratet, M. Nehls, U. Niculita-Hirzel, H. Oudot-Le Secq, M. P. Peter, M. Quesneville, H. Rajashekar, B. Reich, M. Rouhier, N. Schmutz, J. Yin, T. Chalot, M. Henrissat, B. Kuees, U. Lucas, S. Van de Peer, Y. Podila, G. K. Polle, A. Pukkila, P. J. Richardson, P. M. Rouze, P. Sanders, I. R. Stajich, J. E. Tunlid, A. Tuskan, G. Grigoriev, I. V. TI The genome of Laccaria bicolor provides insights into mycorrhizal symbiosis SO NATURE LA English DT Article ID MEDICAGO-TRUNCATULA; PROTEINS; BIOLOGY AB Mycorrhizal symbioses - the union of roots and soil fungi - are universal in terrestrial ecosystems and may have been fundamental to land colonization by plants(1,2). Boreal, temperate and montane forests all depend on ectomycorrhizae(1). Identification of the primary factors that regulate symbiotic development and metabolic activity will therefore open the door to understanding the role of ectomycorrhizae in plant development and physiology, allowing the full ecological significance of this symbiosis to be explored. Here we report the genome sequence of the ectomycorrhizal basidiomycete Laccaria bicolor ( Fig. 1) and highlight gene sets involved in rhizosphere colonization and symbiosis. This 65- megabase genome assembly contains 20,000 predicted protein- encoding genes and a very large number of transposons and repeated sequences. We detected unexpected genomic features, most notably a battery of effector- type small secreted proteins ( SSPs) with unknown function, several of which are only expressed in symbiotic tissues. The most highly expressed SSP accumulates in the proliferating hyphae colonizing the host root. The ectomycorrhizae- specific SSPs probably have a decisive role in the establishment of the symbiosis. The unexpected observation that the genome of L. bicolor lacks carbohydrate- active enzymes involved in degradation of plant cell walls, but maintains the ability to degrade non- plant cell wall polysaccharides, reveals the dual saprotrophic and biotrophic lifestyle of the mycorrhizal fungus that enables it to grow within both soil and living plant roots. The predicted gene inventory of the L. bicolor genome, therefore, points to previously unknown mechanisms of symbiosis operating in biotrophic mycorrhizal fungi. The availability of this genome provides an unparalleled opportunity to develop a deeper understanding of the processes by which symbionts interact with plants within their ecosystem to perform vital functions in the carbon and nitrogen cycles that are fundamental to sustainable plant productivity. C1 [Martin, F.; Brun, A.; Duchaussoy, F.; Gibon, J.; Kohler, A.; Pereda, V.; Wuyts, J.; Blaudez, D.; Buee, M.; Cohen, D.; Courty, P. E.; Delaruelle, C.; Deveau, A.; Duplessis, S.; Lucic, E.; Frey-Klett, P.; Fourrey, C.; Labbe, J.; Legue, V.; Le Tacon, F.; Montanini, B.; Oudot-Le Secq, M. P.; Peter, M.; Reich, M.; Rouhier, N.; Chalot, M.] Univ Nancy 1, INRA, UMR 1136, F-54280 Champenoux, France. [Aerts, A.; Lindquist, E.; Salamov, A.; Shapiro, H. J.; Brokstein, P.; Detter, J. C.; Lucas, S.; Richardson, P. M.; Grigoriev, I. V.] US DOE Joint Genome Inst, Walnut Creek, CA 94598 USA. [Ahren, D.; Canback, B.; Rajashekar, B.; Tunlid, A.] Lund Univ, SE-22362 Lund, Sweden. [Danchin, E. G. J.; Coutinho, P. M.; Henrissat, B.] Univ Aix Marseille 1, CNRS, UMR 6098, F-13288 Marseille 9, France. [Danchin, E. G. J.; Coutinho, P. M.; Henrissat, B.] Univ Aix Marseille 2, CNRS, UMR 6098, F-13288 Marseille 9, France. [Wuyts, J.; Lin, Y. C.; Van de Peer, Y.; Rouze, P.] Univ Ghent VIB, Dept Plant Syst Biol, B-9052 Ghent, Belgium. [DiFazio, S.] W Virginia Univ, Dept Biol, Morgantown, WV 26506 USA. [Feussner, I.] Univ Gottingen, Dept Plant Biochem, D-37077 Gottingen, Germany. [Fraissinet-Tachet, L.; Gay, G.; Marmeisse, R.; Melayah, D.] Univ Lyon 1, CNRS, UMR USC INRA Ecol Microbienne, F-69622 Villeurbanne, France. [Grimwood, J.; Schmutz, J.] Stanford Univ, Sch Med, Stanford Human Genome Ctr, Dept Genet, Palo Alto, CA 94304 USA. [Hoegger, P. J.; Kilaru, S.; Reich, M.; Kuees, U.; Polle, A.] Univ Gottingen, Inst Forest Bot, D-37077 Gottingen, Germany. [Jain, P.; Muratet, M.; Podila, G. K.] Univ Alabama, Dept Biol Sci, Huntsville, AL 35899 USA. [Nehls, U.] Univ Tubingen, D-72076 Tubingen, Germany. [Niculita-Hirzel, H.; Sanders, I. R.] Univ Lausanne, Dept Ecol & Evolut, CH-1015 Lausanne, Switzerland. [Peter, M.] Swiss Fed Res Inst WSL, CH-8903 Birmensdorf, Switzerland. [Quesneville, H.] INRA, Unite Rech Genom Info, F-91034 Evry, France. [Yin, T.; Tuskan, G.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Pukkila, P. J.] Univ N Carolina, Dept Biol, Chapel Hill, NC 27599 USA. [Rouze, P.] Univ Ghent, Lab Assoc INRA, B-9052 Ghent, Belgium. [Stajich, J. E.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. RP Martin, F (reprint author), Univ Nancy 1, INRA, UMR 1136, F-54280 Champenoux, France. EM fmartin@nancy.inra.fr RI CHALOT, Michel/A-1113-2012; Labbe, Jessy/G-9532-2011; LIN, Yao-Cheng/B-4394-2008; Kues, Ursula/B-8280-2008; Coutinho, Pedro/C-4473-2008; Pereda-Loth, Veronica/A-1296-2011; Tuskan, Gerald/A-6225-2011; Stajich, Jason/C-7297-2008; Van de Peer, Yves/D-4388-2009; DUPLESSIS, SEBASTIEN/G-4150-2011; Niculita-Hirzel, Helene/I-8741-2012; Henrissat, Bernard/J-2475-2012; Feussner, Ivo/H-9320-2013; Danchin, Etienne/A-6648-2008; Schmutz, Jeremy/N-3173-2013 OI Labbe, Jessy/0000-0003-0368-2054; Montanini, Barbara/0000-0002-5419-7975; valerie, legue/0000-0001-6626-5149; Feussner, Ivo/0000-0002-9888-7003; Rouhier, Nicolas/0000-0002-2036-7884; Kues, Ursula/0000-0001-9180-4079; Niculita-Hirzel, Helene/0000-0003-1467-8819; LIN, Yao-Cheng/0000-0002-9390-795X; Tuskan, Gerald/0000-0003-0106-1289; Stajich, Jason/0000-0002-7591-0020; Van de Peer, Yves/0000-0003-4327-3730; Danchin, Etienne/0000-0003-4146-5608; Schmutz, Jeremy/0000-0001-8062-9172 NR 27 TC 495 Z9 573 U1 8 U2 200 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD MAR 6 PY 2008 VL 452 IS 7183 BP 88 EP U7 DI 10.1038/nature06556 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 269SZ UT WOS:000253671900052 PM 18322534 ER PT J AU Liu, Y Bruneau, A He, JM Abliz, Z AF Liu, Yi Bruneau, Angela He, Jiuming Abliz, Zeper TI Palladium(II)-directed self-assembly of dynamic donor-acceptor [2]catenanes SO ORGANIC LETTERS LA English DT Article ID MOLECULAR MOTORS; TETRATHIAFULVALENE UNIT; TEMPLATED SYNTHESIS; CATENANES; COORDINATION; CATENATION; CHEMISTRY; MACHINES; COMPLEXES; LIGAND AB Highly efficient syntheses of donor-acceptor [2]catenanes were developed using a combination of templation and reversible metal-ligand coordination. The desired [2]catenanes were obtained within minutes through a five-component assembly, involving a donor-containing crown ether, an acceptor-containing ligand, two Pd(II) metal centers, and a dipyridyl ligand. The [2]catenane formation was characterized by (1)H NMR and UV-vis spectroscopies and cold-spray ionization mass spectrometry. In particular, great translational selectivity was observed when a crown ether with two different donor units was employed. C1 [Liu, Yi; Bruneau, Angela] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [He, Jiuming; Abliz, Zeper] Chinese Acad Med Sci, Inst Mat Med, Beijing 100050, Peoples R China. [He, Jiuming; Abliz, Zeper] Peking Union Med Coll, Beijing 100050, Peoples R China. RP Liu, Y (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM yliu@lbl.gov RI Liu, yi/A-3384-2008 OI Liu, yi/0000-0002-3954-6102 NR 40 TC 56 Z9 56 U1 0 U2 12 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 MAR 6 PY 2008 VL 10 IS 5 BP 765 EP 768 DI 10.1021/ol702830p PG 4 WC Chemistry, Organic SC Chemistry GA 267OX UT WOS:000253519600020 PM 18247625 ER PT J AU Abazov, VM Abbott, B Abolins, M Acharya, BS Adams, M Adams, T Aguilo, E Ahn, SH Ahsan, M Alexeev, GD Alkhazov, G Alton, A Alverson, G Alves, GA Anastasoaie, M Ancu, LS Andeen, T Anderson, S Andrieu, B Anzelc, MS Arnoud, Y Arov, M Arthaud, M Askew, A Asman, B Jesus, ACSA Atramentov, O Autermann, C Avila, C Ay, C Badaud, F Baden, A Bagby, L Baldin, B Bandurin, DV Banerjee, S Banerjee, P Barberis, E Barfuss, AF Bargassa, P Baringer, P Barreto, J Bartlett, JF Basslerr, U Bauer, D Beale, S Bean, A Begalli, M Begel, M Belanger-Champagne, C Bellantoni, L Bellavance, A Benitez, JA Beri, SB Bernardi, G Bernhard, R Bertram, I Besancon, M Beuselinck, R Bezzubov, VA Bhat, PC Bhatnagar, V Biscarat, C Blazey, G Blekman, F Blessing, S Bloch, D Bloom, K Boehnlein, A Boline, D Bolton, TA Borissov, G Bose, T Brandt, A Brock, R Brooijmans, G Bross, A Brown, D Buchanan, NJ Buchholz, D Buehler, M Buescher, V Bunichev, V Burdin, S Burke, S Burnett, TH Buszello, CP Butler, JM Calfayan, P Calvet, S Cammin, J Carvalho, W Casey, BCK Cason, NM Castilla-Valdez, H Chakrabarti, S Chakraborty, D Chan, KM Chan, K Chandra, A Charles, F Cheu, E Chevallier, F Cho, DK Choi, S Choudhary, B Christofek, L Christoudias, T Cihangir, S Claes, D Coadou, Y Cooke, M Cooper, WE Corcoran, M Couderc, F Cousinou, MC Crepe-Renaudin, S Cutts, D Cwiok, M da Motta, H Das, A Davies, G De, K de Jong, SJ De la Cruz-Burelo, E Martins, CDO Degenhardt, JD Deliot, F Demarteau, M Demina, R Denisov, D Denisov, SP Desai, S Diehl, HT Diesburg, M Dominguez, A Dong, H Dudko, LV Duflot, L Dugad, SR Duggan, D Duperrin, A Dyer, J Dyshkant, A Eads, M Edmunds, D Ellison, J Elvira, VD Enari, Y Eno, S Ermolov, P Evans, H Evdokimov, A Evdokimov, VN Ferapontov, AV Ferbel, T Fiedler, F Filthaut, F Fisher, W Fisk, HE Ford, M Fortner, M Fox, H Fu, S Fuess, S Gadfort, T Galea, CF Gallas, E Galyaev, E Garcia, C Garcia-Bellido, A Gavrilov, V Gay, P Geist, W Gele, D Gerber, CE Gershtein, Y Gillberg, D Ginther, G Gollub, N Gomez, B Goussiou, A Grannis, PD Greenlee, H Greenwood, ZD Gregores, EM Grenier, G Gris, P Grivaz, JF Grohsjean, A Grunendahl, S Grunewald, MW Guo, J Guo, F Gutierrez, P Gutierrez, G Haas, A Hadley, NJ Haefner, P Hagopian, S Haley, J Hall, I Hall, RE Han, L Hansson, P Harder, K Harel, A Harrington, R Hauptman, JM Hauser, R Hays, J Hebbeker, T Hedin, D Hegeman, JG Heinmiller, JM Heinson, AP Heintz, U Hensel, C Herner, K Hesketh, G Hildreth, MD Hirosky, R Hobbs, JD Hoeneisen, B Hoeth, H Hohlfeld, M Hong, SJ Hossain, S Houben, P Hu, Y Hubacek, Z Hynek, V Iashvili, I Illingworth, R Ito, AS Jabeen, S Jaffre, M Jain, S Jakobs, K Jarvis, C Jesik, R Johns, K Johnson, C Johnson, M Jonckheere, A Jonsson, P Juste, A Kajfasz, E Kalinin, AM Kalk, JR Kalk, JM Kappler, S Karmanov, D Kasper, PA Katsanos, I Kau, D Kaur, R Kaushik, V Kehoe, R Kermiche, S Khalatyan, N Khanov, A Kharchilava, A Kharzheev, YM Khatidze, D Kim, TJ Kirby, MH Kirsch, M Klima, B Kohli, JM Konrath, JP Korablev, VM Kozelov, AV Krop, D Kuhl, T Kumar, A Kunori, S Kupco, A Kurca, T Kvita, J Lacroix, F Lam, D Lammers, S Landsberg, G Lebrun, P Lee, WM Leflat, A Lehner, F Lellouch, J Leveque, J Li, J Li, QZ Li, L Lietti, SM Lima, JGR Lincoln, D Linnemann, J Lipaev, VV Lipton, R Liu, Y Liu, Z Lobodenko, A Lokajicek, M Love, P Lubatti, HJ Luna, R Lyon, AL Maciel, AKA Mackin, D Madaras, RJ Mattig, P Magass, C Magerkurth, A Mal, PK Malbouisson, HB Malik, S Malyshev, VL Mao, HS Maravin, Y Martin, B McCarthy, R Melnitchouk, A Mendoza, L Mercadante, PG Merkin, M Merritt, KW Meyer, J Meyer, A Millet, T Mitrevski, J Molina, J Mommsen, RK Mondal, NK Moore, RW Moulik, T Muanza, GS Mulders, M Mulhearn, M Mundal, O Mundim, L Nagy, E Naimuddin, M Narain, M Naumann, NA Neal, HA Negret, JP Neustroev, P Nilsen, H Nogima, H Novaes, SF Nunnemann, T O'Dell, V O'Neil, DC Obrant, G Ochando, C Onoprienko, D Oshima, N Osta, J Otec, R Grazon, GJOY Owen, M Padley, P Pangilinan, M Parashar, N Park, SJ Park, SK Parsons, J Partridge, R Parua, N Patwa, A Pawloski, G Penning, B Perfilov, M Peters, K Peters, Y Petroff, P Petteni, M Piegaia, R Piper, J Pleier, MA Podesta-Lerma, PLM Podstavkov, VM Pogorelov, Y Pol, ME Polozov, P Pope, BG Popov, AV Potter, C da Silva, WLP Prosper, HB Protopopescu, S Qian, J Quadt, A Quinn, B Rakitine, A Rangel, MS Ranjan, K Ratoff, PN Renkel, P Reucroft, S Rich, P Rieger, J Rijssenbeek, M Ripp-Baudot, I Rizatdinova, F Robinson, S Rodrigues, RF Rominsky, M Royon, C Rubinov, P Ruchti, R Safronov, G Sajot, G Sanchez-Hernandez, A Sanders, MP Santoro, A Savage, G Sawyer, L Scanlon, T Schaile, D Schamberger, RD Scheglov, Y Schellman, H Schliephake, T Schwanenberger, C Schwartzman, A Schwienhorst, R Sekaric, J Severini, H Shabalina, E Shamim, M Shary, V Shchukin, AA Shivpuri, RK Siccardi, V Simak, V Sirotenko, V Skubic, P Slattery, P Smirnov, D Snow, J Snow, GR Snyder, S Soldner-Rembold, S Sonnenschein, L Sopczak, A Sosebee, M Soustruznik, K Spurlock, B Stark, J Steele, J Stolin, V Stoyanova, DA Strandberg, J Strandberg, S Strang, MA Strauss, M Strauss, E Strohmer, R Strom, D Stutte, L Sumowidagdo, S Svoisky, P Sznajder, A Talby, M Tamburello, P Tanasijczuk, A Taylor, W Temple, J Tiller, B Tissandier, F Titov, M Tokmenin, VV Toole, T Torchiani, I Trefzger, T Tsybychev, D Tuchming, B Tully, C Tuts, PM Unalan, R Uvarov, S Uvarov, L Uzunyan, S Vachon, B Van den Berg, PJ Van Kooten, R van Leeuwen, WM Varelas, N Varnes, EW Vasilyev, IA Vaupel, M Verdier, P Vertogradov, LS Verzocchi, M Villeneuve-Seguier, F Vint, P Vokac, P Von Toerne, E Voutilainen, M Wagner, R Wahl, HD Wang, L Wang, MHLS Warchol, J Watts, G Wayne, M Weber, M Weber, G Welty-Rieger, L Wenger, A Wermes, N Wetstein, M White, A Wicke, D Wilson, GW Wimpenny, SJ Wobisch, M Wood, DR Wyatt, TR Xie, Y Yacoob, S Yamada, R Yan, M Yasuda, T Yatsunenko, YA Yip, K Yoo, HD Youn, SW Yu, J Zatserklyaniy, A Zeitnitz, C Zhao, T Zhou, B Zhu, J Zielinski, M Zieminska, D Zieminski, A Zivkovic, L Zutshi, V Zverev, EG AF Abazov, V. 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TI Search for squarks and gluinos in events with jets and missing transverse energy using 2.1 fb(-1) of p(p)over-bar collision data at root s=1.96 TeV - D phi Collaboration SO PHYSICS LETTERS B LA English DT Article ID SUPERSYMMETRIC PARTICLES; SCALAR QUARKS; FORTRAN CODE; COLLIDER; PHYSICS; MSSM AB A data sample corresponding to an integrated luminosity of 2.1 fb(-1) collected by the D phi detector at the Fermilab Tevatron Collider was analyzed to search for squarks and gluinos produced in p (p) over bar collisions at a center-of-mass energy of 1.96 TeV. No evidence for the production of such particles was observed in topologies involving jets and missing transverse energy, and 95% C.L. lower limits of 379 GeV and 308 GeV were set on the squark and gluino masses, respectively, within the framework of minimal supergravity with tan beta = 3, A(0) = 0, and mu < 0. The corresponding previous limits are improved by 54 GeV and 67 GeV. (c) 2008 Elsevier B.V. All rights reserved. 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[Adams, M.; Gerber, C. E.; Heinmiller, J. M.; Shabalina, E.; Varelas, N.] Univ Illinois, Chicago, IL 60607 USA. [Bagby, L.; Chakraborty, D.; Dyshkant, A.; Fortner, M.; Hedin, D.; Uzunyan, S.; Zatserklyaniy, A.; Zutshi, V.] No Illinois Univ, De Kalb, IL 60115 USA. [Andeen, T.; Anzelc, M. S.; Buchholz, D.; Kirby, M. H.; Schellman, H.; Strom, D.; Yacoob, S.; Youn, S. W.] Northwestern Univ, Evanston, IL 60208 USA. [Evans, H.; Krop, D.; Parashar, N.; Rieger, J.; Kooten, R. Van; Welty-Rieger, L.; Zieminska, D.; Zieminski, A.] Indiana Univ, Bloomington, IN 47405 USA. [Cason, N. M.; Galyaev, E.; Goussiou, A.; Hildreth, M. D.; Lam, D.; Mal, P. K.; Osta, J.; Pogorelov, Y.; Ruchti, R.; Smirnov, D.; Svoisky, P.; Warchol, J.; Wayne, M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Parashar, N.] Purdue Univ Calumet, Hammond, IN 46323 USA. [Hauptman, J. M.] Iowa State Univ, Ames, IA 50011 USA. [Baringer, P.; Bean, A.; Moulik, T.] Univ Kansas, Lawrence, KS 66045 USA. [Ahsan, M.; Bandurin, D. V.; Bolton, T. A.; Ferapontov, A. V.; Maravin, Y.; Onoprienko, D.; Von Toerne, E.] Kansas State Univ, Manhattan, KS 66506 USA. [Arov, M.; Greenwood, Z. D.; Kalk, J. M.; Sawyer, L.; Steele, J.; Wobisch, M.] Louisiana Tech Univ, Ruston, LA 71272 USA. [Baden, A.; Eno, S.; Hadley, N. J.; Jarvis, C.; Kunori, S.; Wang, L.; Wetstein, M.; Yan, M.] Univ Maryland, College Pk, MD 20742 USA. [Boline, D.; Butler, J. M.; Cho, D. K.; Heintz, U.; Jabeen, S.] Boston Univ, Boston, MA 02215 USA. [Alverson, G.; Barberis, E.; Harrington, R.; Hesketh, G.; Wood, D. R.] Northeastern Univ, Boston, MA 02115 USA. [Alton, A.; De la Cruz-Burelo, E.; Degenhardt, J. D.; Neal, H. A.; Qian, J.; Strandberg, J.; Zhou, B.] Univ Michigan, Ann Arbor, MI 48109 USA. [Abolins, M.; Edmunds, D.; Hall, I.; Hauser, R.; Kalk, J. R.; Linnemann, J.; Piper, J.; Pope, B. G.; Schwienhorst, R.; Unalan, R.] Michigan State Univ, E Lansing, MI 48824 USA. [Melnitchouk, A.] Univ Mississippi, University, MS 38677 USA. [Claes, D.; Dominguez, A.; Eads, M.; Malik, S.; Snow, G. R.] Univ Nebraska, Lincoln, NE 68588 USA. [Haley, J.; Schwartzman, A.; Tully, C.; Wagner, R.] Princeton Univ, Princeton, NJ 08544 USA. [Iashvili, I.; Kharchilava, A.; Kumar, A.] SUNY Buffalo, Buffalo, NY 14260 USA. [Brooijmans, G.; Johnson, C.; Mulhearn, M.; Parsons, J.; Tuts, P. M.; Zivkovic, L.] Columbia Univ, New York, NY 10027 USA. [Begel, M.; Demina, R.; Ferbel, T.; Garcia, C.; Harel, A.; Zielinski, M.] Univ Rochester, Rochester, NY 14627 USA. SUNY Stony Brook, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. Langston Univ, Langston, OK 73050 USA. Univ Oklahoma, Norman, OK 73019 USA. Oklahoma State Univ, Stillwater, OK 74078 USA. Brown Univ, Providence, RI 02912 USA. Univ Texas Arlington, Arlington, TX 76019 USA. So Methodist Univ, Dallas, TX 75275 USA. Rice Univ, Houston, TX 77005 USA. Univ Virginia, Charlottesville, VA 22901 USA. Univ Washington, Seattle, WA 98195 USA. RP Verdier, P (reprint author), Univ Lyon 1, CNRS, IPNL, IN2P3, F-69622 Villeurbanne, France. EM verdier@ipnl.in2p3.fr RI Ancu, Lucian Stefan/F-1812-2010; De, Kaushik/N-1953-2013; Fisher, Wade/N-4491-2013; Shivpuri, R K/A-5848-2010; Gutierrez, Phillip/C-1161-2011; Leflat, Alexander/D-7284-2012; Dudko, Lev/D-7127-2012; Perfilov, Maxim/E-1064-2012; Merkin, Mikhail/D-6809-2012; Novaes, Sergio/D-3532-2012; Mercadante, Pedro/K-1918-2012; Mundim, Luiz/A-1291-2012; Yip, Kin/D-6860-2013; Alves, Gilvan/C-4007-2013; Santoro, Alberto/E-7932-2014; Deliot, Frederic/F-3321-2014; Sharyy, Viatcheslav/F-9057-2014; Kupco, Alexander/G-9713-2014; Christoudias, Theodoros/E-7305-2015; KIM, Tae Jeong/P-7848-2015; Sznajder, Andre/L-1621-2016; Li, Liang/O-1107-2015 OI Ancu, Lucian Stefan/0000-0001-5068-6723; De, Kaushik/0000-0002-5647-4489; Dudko, Lev/0000-0002-4462-3192; Novaes, Sergio/0000-0003-0471-8549; Mundim, Luiz/0000-0001-9964-7805; Yip, Kin/0000-0002-8576-4311; Sharyy, Viatcheslav/0000-0002-7161-2616; Christoudias, Theodoros/0000-0001-9050-3880; KIM, Tae Jeong/0000-0001-8336-2434; Sznajder, Andre/0000-0001-6998-1108; Li, Liang/0000-0001-6411-6107 NR 31 TC 108 Z9 108 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD MAR 6 PY 2008 VL 660 IS 5 BP 449 EP 457 DI 10.1016/j.physletb.2008.01.042 PG 9 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 274WR UT WOS:000254034000003 ER PT J AU Eugenio, P Ostrovidov, AI Adams, GS Adams, T Bar-Yam, Z Bishop, JM Bodyagin, VA Brown, DS Cason, NM Chung, SU Cummings, JP Danyo, K Denisov, SP Dorofeev, V Dowd, JP Fan, XL Gribushin, AM Hackenburg, RW Hayek, M Hu, J Ivanov, EI Joffe, D Kern, W King, E Kodolova, OL Korotkikh, VL Kostin, MA Kuhn, J Lipaev, VV Losecco, JM Lu, M Manak, JJ Nozar, M Olchanski, C Pedlar, TK Popov, AV Ryabchikov, DI Sarycheva, LI Seth, KK Sharin, B Shenhav, N Shen, X Shephard, WD Sinev, NB Stienike, DL Suh, JS Taegar, SA Tomaradze, A Vardanyan, IN Weygand, DP White, DB Willutzki, HJ Witkowski, M Yershov, AA AF Eugenio, P. Ostrovidov, A. I. Adams, G. S. Adams, T. Bar-Yam, Z. Bishop, J. M. Bodyagin, V. A. Brown, D. S. Cason, N. M. Chung, S. U. Cummings, J. P. Danyo, K. Denisov, S. P. Dorofeev, V. Dowd, J. P. Fan, X. L. Gribushin, A. M. Hackenburg, R. W. Hayek, M. Hu, J. Ivanov, E. I. Joffe, D. Kern, W. King, E. Kodolova, O. L. Korotkikh, V. L. Kostin, M. A. Kuhn, J. Lipaev, V. V. Losecco, J. M. Lu, M. Manak, J. J. Nozar, M. Olchanski, C. Pedlar, T. K. Popov, A. V. Ryabchikov, D. I. Sarycheva, L. I. Seth, K. K. Sharin, B. Shenhav, N. Shen, X. Shephard, W. D. Sinev, N. B. Stienike, D. L. Suh, J. S. Taegar, S. A. Tomaradze, A. Vardanyan, I. N. Weygand, D. P. White, D. B. Willutzki, H. J. Witkowski, M. Yershov, A. A. TI Observation of the pi(1800) and pi(2)(1880) mesons in eta eta pi(-) decay - E852 Collaboration SO PHYSICS LETTERS B LA English DT Article ID (P)OVER-BARP; GEV/C AB A partial-wave analysis of the reaction pi(-)p -> eta eta pi(-)p at 18 GeV/c has been performed on a data sample of approximately 4000 events obtained by Brookhaven experiment E852. The J(PC) = 0(-+)pi(1800) state is observed in the a(0)(980)eta and f(0)(1500)pi decay modes. It has a mass of 1876 +/- 18 +/- 16 MeV/c(2) and a width of 221 +/- 26 +/- 38 MeV/c(2). The J(PC) = 2(-+)pi(2)(1880) meson is observed decaying through a(2)(1320)eta. It has a mass of 1929 +/- 24 +/- 18 MeV/c(2) and a width of 323 +/- 87 +/- 43 MeV/c(2). Both states are potential candidates for non-exotic hybrid mesons. (c) 2008 Elsevier B.V. All rights reserved. C1 [Eugenio, P.; Ostrovidov, A. I.; Adams, T.; Sharin, B.] Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. [Adams, G. S.; Cummings, J. P.; Hu, J.; Kuhn, J.; Lu, M.; White, D. B.; Witkowski, M.] Rensselaer Polytech Inst, Dept Phys, Troy, NY 12180 USA. [Bar-Yam, Z.; Dowd, J. P.; Hayek, M.; Kern, W.; King, E.; Shenhav, N.] Univ Massachusetts, Dept Phys, N Dartmouth, MA 02747 USA. [Bishop, J. M.; Cason, N. M.; Losecco, J. M.; Manak, J. J.; Shephard, W. D.; Stienike, D. L.; Taegar, S. A.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Bodyagin, V. A.; Gribushin, A. M.; Kodolova, O. L.; Korotkikh, V. L.; Sarycheva, L. I.; Sinev, N. B.; Vardanyan, I. N.; Yershov, A. A.] Moscow MV Lomonosov State Univ, Inst Nucl Phys, Moscow 119899, Russia. [Brown, D. S.; Fan, X. L.; Pedlar, T. K.; Seth, K. K.; Tomaradze, A.] Northwestern Univ, Dept Phys, Evanston, IL 60208 USA. [Chung, S. U.; Hackenburg, R. W.; Olchanski, C.; Suh, J. S.; Willutzki, H. J.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Denisov, S. P.; Dorofeev, V.; Lipaev, V. V.; Popov, A. V.; Ryabchikov, D. I.] Inst High Energy Phys, Protvino 142284, Russia. [Ivanov, E. I.] Idaho State Univ, Dept Phys, Pocatello, ID 83209 USA. [Shen, X.; Weygand, D. P.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RP Ostrovidov, AI (reprint author), Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. EM ostrov@hadron.physics.fsu.edu RI Gribushin, Andrei/J-4225-2012; Kodolova, Olga/D-7158-2012; Vardanyan, Irina/K-7981-2012 NR 14 TC 9 Z9 9 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 MAR 6 PY 2008 VL 660 IS 5 BP 466 EP 470 DI 10.1016/j.physletb.2008.01.026 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 274WR UT WOS:000254034000005 ER PT J AU Karliner, M Lipkin, HJ AF Karliner, Marek Lipkin, Harry J. TI The new Sigma(b) multiplet, heavy baryon mass predictions, meson-baryon universality and effective supersymmetry in hadron spectrum SO PHYSICS LETTERS B LA English DT Article ID MAGNETIC-MOMENTS; QUARKS; MODEL AB The recent measurement by CDF M(Sigma(b)) - M(Lambda(b)) = 192 MeV is in striking agreement with our theoretical prediction M(Sigma(b)) - M(Lambda(b)) 194 MeV. In addition, the measured splitting M (Sigma(b)*) - M (Sigma(b)) = 21 MeV agrees well with the predicted splitting of 22 MeV. We point out the connection between these predictions and an effective supersymmetry between mesons and baryons related by replacing a light antiquark by a light diquark. We discuss the theoretical framework behind these predictions and use it to provide additional predictions for the masses of spin-1/2 and spin-3/2 baryons containing heavy quarks, as well as for magnetic moments of Lambda(b) and Lambda(c). (c) 2008 Elsevier B.V. All rights reserved. C1 [Karliner, Marek; Lipkin, Harry J.] Tel Aviv Univ, Raymond & Beverly Sackler Fac Exact Sci, Sch Phys & Astron, IL-69978 Tel Aviv, Israel. [Lipkin, Harry J.] Weizmann Inst Sci, Dept Particle Phys, IL-76100 Rehovot, Israel. [Lipkin, Harry J.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Lipkin, HJ (reprint author), Tel Aviv Univ, Raymond & Beverly Sackler Fac Exact Sci, Sch Phys & Astron, IL-69978 Tel Aviv, Israel. EM marek@proton.tau.ac.il; ftlipkin@weizmann.ac.il NR 27 TC 26 Z9 26 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD MAR 6 PY 2008 VL 660 IS 5 BP 539 EP 544 DI 10.1016/j.physletb.2008.01.023 PG 6 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 274WR UT WOS:000254034000017 ER PT J AU Neubert, M AF Neubert, Matthias TI Unparticle physics with jets SO PHYSICS LETTERS B LA English DT Article AB Using methods of effective field theory, we show that after resummation of Sudakov logarithms the spectral densities of interacting quark and gluon fields in ordinary quantum field theories such as QCD are virtually indistinguishable from those of "unparticles" of a hypothetical conformal sector coupled to the Standard Model, recently studied by Georgi. Unparticles are therefore less exotic that originally thought. Models in which a hidden sector weakly coupled to the Standard Model contains a QCD-like theory, which confines at some scale much below the characteristic energy of a given process, can give rise to signatures closely resembling those from unparticles. (c) 2008 Elsevier B.V. All rights reserved. C1 Johannes Gutenberg Univ Mainz, Inst Phys ThEP, D-55099 Mainz, Germany. [Neubert, Matthias] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Neubert, M (reprint author), Johannes Gutenberg Univ Mainz, Inst Phys ThEP, D-55099 Mainz, Germany. EM neubertm@uni-mainz.de NR 58 TC 23 Z9 23 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD MAR 6 PY 2008 VL 660 IS 5 BP 592 EP 596 DI 10.1016/j.physletb.2008.01.034 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 274WR UT WOS:000254034000025 ER PT J AU Ali, M Baker, GA Pandey, S AF Ali, Maroof Baker, Gary A. Pandey, Siddharth TI Dye redissolution after precipitation with a water-miscible ionic liquid SO CHEMISTRY LETTERS LA English DT Article ID SOLVENT-EXTRACTION; ANALYTICAL-CHEMISTRY; AQUEOUS-SOLUTIONS; CROWN-ETHER; RECOVERY AB Redissolution of five popular cationic dyes with a water-miscible ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate after their near quantitative precipitation from aqueous solutions is observed. The behavior of the ionic liquid is similar to that of a salt at lower concentrations, while it acts like a cosolvent at higher concentrations. C1 [Ali, Maroof; Pandey, Siddharth] Indian Inst Technol, Dept Chem, New Delhi 110016, India. [Baker, Gary A.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Pandey, S (reprint author), Indian Inst Technol, Dept Chem, New Delhi 110016, India. EM sipandey@chemistry.iitd.ac.in RI Ali, Maroof/A-3204-2014; Baker, Gary/H-9444-2016 OI Baker, Gary/0000-0002-3052-7730 NR 25 TC 14 Z9 14 U1 0 U2 6 PU CHEMICAL SOC JAPAN PI TOKYO PA 1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN SN 0366-7022 EI 1348-0715 J9 CHEM LETT JI Chem. Lett. PD MAR 5 PY 2008 VL 37 IS 3 BP 260 EP 261 DI 10.1246/cl.2008.260 PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 289XG UT WOS:000255086600016 ER PT J AU Fritz, KP Guenes, S Luther, J Kumar, S Saricifitci, NS Scholes, GD AF Fritz, Karolina P. Guenes, Serap Luther, Joseph Kumar, Sandeep Saricifitci, N. Serdar Scholes, Gregory D. TI IV-VI nanocrystal-polymer solar cells SO JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY LA English DT Article DE nanocrystals; PbS; solar cells; photovoltaic devices; near-infrared ID PHOTOVOLTAIC CELLS; CONJUGATED POLYMERS; QUANTUM DOTS; OPTICAL-PROPERTIES; COLLOIDAL PBSE; CHARGE; HETEROJUNCTIONS; PHOTOGENERATION; PHOTODETECTORS; NANOPARTICLES AB Processes are investigated for the fabrication of hybrid bilayer photovoltaic (PV) devices consisting of IV-VI nanocrystals (NCs) having near-infrared optical gaps and an organic conductive polymer. Our design utilizes PbS NCs spin-cast onto an indium tin oxide (ITO) coated glass slide, covered with a poly(3-hexylthiophene-2,5-diyl) (P3HT) layer. We demonstrate here that the removal of the surface ligand, by pre-rinsing the NCs and subsequent annealing, generates a smoother film with a greater degree of cross-linking between the NCs. Additionally, a post-production treatment enhances the interfacial layer and improves charge carrier separation and mobility, rendering better performing solar cells. Further, results using PbSe NCs indicate the method can be adapted to similar systems. The method proposed here was designed to optimize more independently the polymer and nanocrystal components of the device and, to an extent, the interface between them. (C) 2007 Elsevier B.V. All rights reserved. C1 [Fritz, Karolina P.; Kumar, Sandeep; Scholes, Gregory D.] Univ Toronto, Dept Chem, Toronto, ON M5S 3H6, Canada. [Fritz, Karolina P.; Kumar, Sandeep; Scholes, Gregory D.] Univ Toronto, Inst Opt Sci, Toronto, ON M5S 3H6, Canada. [Guenes, Serap; Saricifitci, N. Serdar] Johannes Kepler Univ Linz, LIOS, A-4040 Linz, Austria. [Luther, Joseph] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Saricifitci, NS (reprint author), Univ Toronto, Dept Chem, 80 St George St, Toronto, ON M5S 3H6, Canada. EM scrdar.sariciftci@jku.at; gscholes@chem.utoronto.ca NR 54 TC 45 Z9 45 U1 0 U2 26 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 1010-6030 J9 J PHOTOCH PHOTOBIO A JI J. Photochem. Photobiol. A-Chem. PD MAR 5 PY 2008 VL 195 IS 1 BP 39 EP 46 DI 10.1016/j.jphotochem.2007.09.004 PG 8 WC Chemistry, Physical SC Chemistry GA 278ZK UT WOS:000254324600005 ER PT J AU An, Q Luo, SN Han, LB Zheng, LQ Tschauner, O AF An, Qi Luo, Sheng-Nian Han, Li-Bo Zheng, Lianqing Tschauner, Oliver TI Melting of Cu under hydrostatic and shock wave loading to high pressures SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; SINGLE-CRYSTAL; MODEL AB Molecular dynamics simulations are performed to investigate hydrostatic melting and shock-induced melting of single crystal Cu described by an embedded-atom method potential. The thermodynamic (equilibrium) melting curve obtained from our simulations agrees with static experiments and independent simulations. The planar solid-liquid interfacial energy is found to increase with pressure. The amount of maximum superheating or supercooling is independent of pressure, and is 1.24 +/- 0.01 and 0.68 +/- 0.01 at a heating or cooling rate of 1 K ps(-1), respectively. We explore shock loading along three main crystallographic directions: < 100 >, < 110 > and < 111 >. Melting along the < 100 > principal Hugoniot differs considerably from < 110 > and < 111 >, possibly due to different extents of solid state disordering. Along < 100 >, the solid is superheated by about 20%, before it melts with a pronounced temperature drop. In contrast, melting along < 110 > and < 111 > is quasi-continuous, and premelting (similar to 7%) is observed. C1 [Luo, Sheng-Nian] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. [An, Qi; Han, Li-Bo] Univ Sci & Technol China, Sch Earth & Space Sci, Hefei 230026, Anhui, Peoples R China. [Zheng, Lianqing] Florida State Univ, Sch Computat Sci, Tallahassee, FL 32306 USA. [Tschauner, Oliver] Univ Nevada, High Pressure Sci & Engn Ctr, Las Vegas, NV 89154 USA. [Tschauner, Oliver] Univ Nevada, Dept Phys, Las Vegas, NV 89154 USA. RP Luo, SN (reprint author), Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. EM sluo@lanl.gov RI Zheng, Lianqing/B-4171-2008; An, Qi/G-4517-2011; Luo, Sheng-Nian /D-2257-2010; An, Qi/I-6985-2012 OI Luo, Sheng-Nian /0000-0002-7538-0541; NR 35 TC 53 Z9 53 U1 3 U2 21 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 EI 1361-648X J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD MAR 5 PY 2008 VL 20 IS 9 AR 095220 DI 10.1088/0953-8984/20/9/095220 PG 8 WC Physics, Condensed Matter SC Physics GA 275VT UT WOS:000254100900028 ER PT J AU Jeffries, JR Butch, NP Yukich, BT Maple, MB AF Jeffries, J. R. Butch, N. P. Yukich, B. T. Maple, M. B. TI The evolution of the ordered states of single-crystal URu2Si2 under pressure SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID SPIN-DENSITY-WAVE; HIGHLY ANISOTROPIC MATERIALS; VAN-ALPHEN OSCILLATION; UPPER-CRITICAL-FIELD; ELECTRON SUPERCONDUCTOR URU2SI2; FERMI-SURFACE; HIDDEN-ORDER; NEUTRON-SCATTERING; PURITY DEPENDENCE; UNIAXIAL PRESSURE AB The 'hidden order' (HO) and superconducting (SC) states of URu2Si2 have been investigated via electrical resistivity measurements as a function of pressure P up to nearly 30 kbar and magnetic field H <= 9 T. The field and pressure dependences of the SC state were examined for two crystals with H aligned parallel to c and a, with the latter orientation revealing an enhanced critical field. No discontinuities in either the field or pressure dependence of the SC state were found. The evolution of the HO state showed a distinct kink in the pressure dependence at P-c = 15 kbar, coincident with the destruction of superconductivity. The behavior of the two ordered phases was analyzed via a model describing the competition for Fermi surface fraction, where a portion of the Fermi surface becomes completely gapped near P-c. The evolution of the magnitude of the scattering at the HO transition is compared with the Fermi surface fraction gapped by the HO state, and the phenomenology of a spin density wave-like ground state is discussed as it pertains to the data presented. C1 Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. Univ Calif San Diego, Inst Pure & Appl Phys Sci, La Jolla, CA 92093 USA. RP Jeffries, JR (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM jeffries4@llnl.gov NR 66 TC 21 Z9 21 U1 0 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 EI 1361-648X J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD MAR 5 PY 2008 VL 20 IS 9 AR 095225 DI 10.1088/0953-8984/20/9/095225 PG 9 WC Physics, Condensed Matter SC Physics GA 275VT UT WOS:000254100900033 ER PT J AU Rankin, RB Sholl, DS Johnson, JK AF Rankin, Rees B. Sholl, David S. Johnson, J. Karl TI Density functional theory calculations of the surface structure of the inverse spinel zinc orthotitanate SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID HOT GAS DESULFURIZATION; AUGMENTED-WAVE METHOD; METAL-OXIDE SORBENTS; ULTRASOFT PSEUDOPOTENTIALS; ELECTRONIC-STRUCTURE; SRTIO3 SURFACES; THERMODYNAMICS; SUBSTRATE; CATALYSIS; PT(111) AB We present an examination of many different surface terminations of Zn(2)TiO(4) (ZTO) obtained by density functional theory calculations. We have examined a total of 41 surface terminations generated from the {001}, {011}, and {111} families of surfaces. Termination of the anisotropic bulk structure of ZTO can produce asymmetric corrugated surfaces that possibly include surface termination artifacts. We have addressed this issue with surface 'smoothing' via atomic transposition of individual atoms across the slab. This procedure reduces the energy penalty associated with large geometric corrugations in the surface layer, particularly in the case of ZTO(111) surfaces. The interface with the lowest energy was found to be a termination of the ZTO(010) surface having a surface formation energy of 1.09 J m(-2). A moderately higher energy surface termination was found for the ZTO(110) surface. This ZTO(110) surface has a surface formation energy approximately 0.1 J m(-2) higher than that of the lowest energy ZTO(010) surface. C1 [Rankin, Rees B.; Johnson, J. Karl] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. [Sholl, David S.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. [Sholl, David S.; Johnson, J. Karl] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Rankin, RB (reprint author), Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. EM karlj@pitt.edu RI Johnson, Karl/E-9733-2013 OI Johnson, Karl/0000-0002-3608-8003 NR 46 TC 4 Z9 4 U1 1 U2 3 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 MAR 5 PY 2008 VL 20 IS 9 AR 095001 DI 10.1088/0953-8984/20/9/095001 PG 6 WC Physics, Condensed Matter SC Physics GA 275VT UT WOS:000254100900003 ER PT J AU Jiang, DE Tiago, ML Luo, WD Dai, S AF Jiang, De-en Tiago, Murilo L. Luo, Weidong Dai, Sheng TI The "Staple" motif: A key to stability of thiolate-protected gold nanoclusters SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID NANOPARTICLES; CLUSTERS; MONOLAYERS; NANOTECHNOLOGY; LUMINESCENCE; MOLECULES; METALS AB Recently obtained single-crystal structure of a thiolate-protected go cluster sows that all thiolate groups form 'staple' motifs on the cluster surface. To find out the driving force for such a formation, we use first-principles density functional theory simulations to model formation of 'staple' motifs on an Au-38 cluster from zero to full coverage. By geometry optimization, molecular dynamics, and simulated annealing, we show that formation of 'staples' is strongly preferred on a cluster surface and helps stabilize the cluster by pinning the surface Au atoms and increasing the HOMO-LUMO gap. We devise a method to generate initial structural models for thiolate-protected gold clusters by adding 'staples' to the cluster surface. Using this method, we obtain a staple-covered, low-energy structure for Au-38 (SCH3)(24), a much studied cluster whose structure is not yet known. Optical band-edge energy computed from time-dependent DFT for our Au-38(SCH3)(24) structure shows good agreement with experiment. C1 [Jiang, De-en; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Tiago, Murilo L.; Luo, Weidong] Oak Ridge Natl Lab, Div Mat Sci, Oak Ridge, TN 37831 USA. [Luo, Weidong] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. RP Jiang, DE (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM jiangd@ornl.gov RI Jiang, De-en/D-9529-2011; Dai, Sheng/K-8411-2015; Luo, Weidong/A-8418-2009 OI Jiang, De-en/0000-0001-5167-0731; Dai, Sheng/0000-0002-8046-3931; Luo, Weidong/0000-0003-3829-1547 NR 36 TC 155 Z9 155 U1 5 U2 63 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 MAR 5 PY 2008 VL 130 IS 9 BP 2777 EP + DI 10.1021/ja710991n PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 268AH UT WOS:000253549800035 PM 18257572 ER PT J AU Andersson, K Ketteler, G Bluhm, H Yamamoto, S Ogasawara, H Pettersson, LGM Salmeron, M Nilsson, A AF Andersson, Klas Ketteler, Guido Bluhm, Hendrik Yamamoto, Susumu Ogasawara, Hirohito Pettersson, Lars G. M. Salmeron, Miquel Nilsson, Anders TI Autocatalytic water dissociation on Cu(110) at near ambient conditions SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID METAL-SURFACES; HYDROXYL-GROUPS; ADSORPTION; OXYGEN; CHEMISORPTION; RU(0001); INTACT; RECONSTRUCTION; COADSORPTION; MOLECULES AB Autocatalytic dissociation of water on the Cu(110) metal surface is demonstrated on the basis of X-ray photoelectron spectroscopy studies carried out in situ under near ambient conditions of water vapor pressure (1 Torr) and temperature (275-520 K). The autocatalytic reaction is explained as the result of the strong hydrogen-bond in the H2O-OH complex of the dissociated final state, which lowers the water dissociation barrier according to the Bronsted-Evans-Polanyi relations. A simple chemical bonding picture is presented which predicts autocatalytic water dissociation to be a general phenomenon on metal surfaces. C1 [Andersson, Klas; Yamamoto, Susumu; Ogasawara, Hirohito; Nilsson, Anders] Stanford Synchrotron Radiat Lab, Canoga Pk, CA 91309 USA. [Andersson, Klas; Pettersson, Lars G. M.; Nilsson, Anders] Stockholm Univ, FYSIKUM, AlbaNova Univ Ctr, SE-10691 Stockholm, Sweden. [Ketteler, Guido; Salmeron, Miquel] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Salmeron, Miquel] Univ Calif Berkeley, Mat Sci & Engn Dept, Berkeley, CA 94720 USA. [Bluhm, Hendrik] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Nilsson, A (reprint author), Stanford Synchrotron Radiat Lab, POB 20450, Canoga Pk, CA 91309 USA. EM nilsson@slac.stanford.edu RI Yamamoto, Susumu/C-1584-2008; Nilsson, Anders/E-1943-2011; Pettersson, Lars/F-8428-2011; Pettersson, Lars/J-4925-2013; Ogasawara, Hirohito/D-2105-2009; OI Yamamoto, Susumu/0000-0002-6116-7993; Nilsson, Anders/0000-0003-1968-8696; Pettersson, Lars/0000-0003-1133-9934; Ogasawara, Hirohito/0000-0001-5338-1079; Andersson, Klas J./0000-0002-6064-5658 NR 43 TC 73 Z9 73 U1 4 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 MAR 5 PY 2008 VL 130 IS 9 BP 2793 EP 2797 DI 10.1021/ja073727x PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 268AH UT WOS:000253549800039 PM 18257559 ER PT J AU Lee, Y Kim, SJ Kao, CC Vogt, T AF Lee, Yongjae Kim, Sun Jin Kao, Chi-Chang Vogt, Thomas TI Pressure-induced hydration and order-disorder transition in a synthetic potassium gallosilicate zeolite with gismondine topology SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID CRYSTAL-STRUCTURE; STRUCTURAL EVOLUTION; NEUTRON-DIFFRACTION; RIETVELD REFINEMENT; CATION MIGRATION; NATROLITE; EXCHANGE; COMPRESSIBILITY; BEHAVIOR; WATER AB Two high-pressure phases of a potassium gallosilicate with a gismondine framework (K-GaSi-GIS) were characterized using Rietveld refinements of in-situ high-pressure, high-resolution synchrotron X-ray powder diffraction data. The observed response of the K-GaSi-GIS framework under hydrostatic pressure is a gradual flattening of the so-called "double crankshaft" structural chain units. At pressures below 1.0(1) GPa, additional water molecules from the hydrostatic pressure-transmitting medium are inserted into the potassium-water guest network ("pressure-induced hydration") resulting in a "super-hydrated" high-pressure phase I. As the flattening of the double crankshaft structural units in the GIS framework continues above 1.6 GPa, the ellipticity of the cross-linking 8-ring windows is reduced below a certain threshold, and a disordering of the potassium-water guest structure along the 8-ring channel, characteristic of a disordered high-pressure phase II, is observed. The concerted framework distortion and guest network disordering accommodates the increased hydration level while maintaining the seven-fold coordination environment of the potassium cations to framework oxygen atoms and water molecules. We have thus established the atomistic details of a guest-host order-disorder transition under pressure-induced hydration conditions in a zeolite with GIS framework and compared it to other zeolites during pressure-induced hydration. We find that the structural changes mediated by the extra-framework cations and their coordination environment under PIH conditions are at the core of these different mechanisms and are driving the changes in the ellipticity of pore openings, order-disorder and disorder-order transitions, and framework distortions. C1 [Lee, Yongjae] Yonsei Univ, Dept Earth Syst Sci, Seoul 120749, South Korea. [Kim, Sun Jin] Korea Inst Sci & Technol, Nanomat Res Ctr, Seoul 136791, South Korea. [Kao, Chi-Chang] Brookhaven Natl Lab, Upton, NY 11973 USA. [Vogt, Thomas] Univ S Carolina, Dept Chem & Biochem, Columbia, SC 29208 USA. [Vogt, Thomas] Univ S Carolina, NanoCtr, Columbia, SC 29208 USA. RP Lee, Y (reprint author), Yonsei Univ, Dept Earth Syst Sci, Seoul 120749, South Korea. EM yongjaelee@yonsei.ac.kr RI Vogt, Thomas /A-1562-2011; Lee, Yongjae/K-6566-2016 OI Vogt, Thomas /0000-0002-4731-2787; NR 40 TC 7 Z9 7 U1 1 U2 14 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 MAR 5 PY 2008 VL 130 IS 9 BP 2842 EP 2850 DI 10.1021/ja077443o PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 268AH UT WOS:000253549800044 PM 18266365 ER PT J AU Neville, SM Halder, GJ Chapman, KW Duriska, MB Southon, PD Cashion, JD Letard, JF Moubaraki, B Murray, KS Kepert, CJ AF Neville, Suzanne M. Halder, Gregory J. Chapman, Karena W. Duriska, Martin B. Southon, Peter D. Cashion, John D. Letard, Jean-Francois Moubaraki, Boujemaa Murray, Keith S. Kepert, Cameron J. TI Single-crystal to single-crystal structural transformation and photomagnetic properties of a porous iron(II) spin-crossover framework SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID X-RAY-DIFFRACTION; COORDINATION POLYMERS; CRITICAL-TEMPERATURE; MAGNETIC-PROPERTIES; TRANSITION; COMPLEXES; BISTABILITY; LIESST; SORPTION; NETWORKS AB The porous coordination framework material, Fe(NCS)(2)(bped)(2)center dot 3EtOH, SCOF-3(Et) (where bped is DL-1,2-bis(4'-pyridyl)-1,2-ethanediol), displays a spin-crossover (SCO) transition that has been stimulated both thermally and by light irradiation. The one-step thermal SCO (70-180 K) is sensitive to the presence of molecular guests, with a more gradual transition (70-225 K) apparent following the desorption of ethanol molecules that hydrogen bond to the spin centers. Additional intraframework hydrogen-bonding interactions stabilize the vacant one-dimensional pore structure of the apohost, SCOF-3, despite a dramatic single-crystal to single-crystal (SC-SC) structural change upon removal of the guests. Comprehensive structural analyses throughout this transformation, from primitive orthorhombic (Pccn) to body-centered tetragonal (I4/mcm), reveal a flexing of the framework and a dilation of the channels, with an accompanying subtle distortion of the iron(II) coordination geometry. Photomagnetic measurements of the light-induced excited spin state trapping (LIESST) effect have been used to assess the degree of cooperativity in this system. C1 [Neville, Suzanne M.; Halder, Gregory J.; Southon, Peter D.; Kepert, Cameron J.] Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia. [Neville, Suzanne M.; Duriska, Martin B.; Moubaraki, Boujemaa; Murray, Keith S.] Monash Univ, Sch Chem, Clayton, Vic 3800, Australia. [Halder, Gregory J.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Chapman, Karena W.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Cashion, John D.] Monash Univ, Sch Phys, Clayton, Vic 3800, Australia. [Letard, Jean-Francois] Univ Bordeaux 1, Lab Sci Mol, ICMCB, CNRS,UPR 9048, F-33608 Pessac, France. RP Kepert, CJ (reprint author), Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia. EM c.kepert@chem.usyd.edu.au RI Chapman, Karena/G-5424-2012; neville, suzanne/B-4531-2013; Southon, Peter/B-9475-2013; Halder, Gregory/C-5357-2013; neville, suzanne/B-2254-2016; OI neville, suzanne/0000-0003-4237-4046; Southon, Peter/0000-0001-8097-9340; Kepert, Cameron/0000-0002-6105-9706 NR 53 TC 175 Z9 175 U1 6 U2 95 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 MAR 5 PY 2008 VL 130 IS 9 BP 2869 EP 2876 DI 10.1021/ja077958f PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 268AH UT WOS:000253549800047 PM 18254628 ER PT J AU Higuera, PE Brubaker, LB Anderson, PM Brown, TA Kennedy, AT Hu, FS AF Higuera, Philip E. Brubaker, Linda B. Anderson, Patricia M. Brown, Thomas A. Kennedy, Alison T. Hu, Feng Sheng TI Frequent Fires in Ancient Shrub Tundra: Implications of Paleorecords for Arctic Environmental Change SO PLOS ONE LA English DT Article AB Understanding feedbacks between terrestrial and atmospheric systems is vital for predicting the consequences of global change, particularly in the rapidly changing Arctic. Fire is a key process in this context, but the consequences of altered fire regimes in tundra ecosystems are rarely considered, largely because tundra fires occur infrequently on the modern landscape. We present paleoecological data that indicate frequent tundra fires in northcentral Alaska between 14,000 and 10,000 years ago. Charcoal and pollen from lake sediments reveal that ancient birch-dominated shrub tundra burned as often as modern boreal forests in the region, every 144 years on average (+/- 90 s.d.; n = 44). Although paleoclimate interpretations and data from modern tundra fires suggest that increased burning was aided by low effective moisture, vegetation cover clearly played a critical role in facilitating the paleofires by creating an abundance of fine fuels. These records suggest that greater fire activity will likely accompany temperature-related increases in shrub-dominated tundra predicted for the 21(st) century and beyond. Increased tundra burning will have broad impacts on physical and biological systems as well as on land-atmosphere interactions in the Arctic, including the potential to release stored organic carbon to the atmosphere. C1 [Higuera, Philip E.; Brubaker, Linda B.] Univ Washington, Coll Forest Resources, Seattle, WA 98195 USA. [Anderson, Patricia M.] Univ Washington, Quaternary Res Ctr, Dept Earth & Space Sci, Seattle, WA USA. [Brown, Thomas A.] Ctr Accelerator Mass Spectrometry, Lawrence Livermore Natl Lab, Livermore, CA USA. [Kennedy, Alison T.] Montana State Univ, Dept Earth Sci, Bozeman, MT USA. [Hu, Feng Sheng] Univ Illinois, Dept Plant Biol, Urbana, IL USA. [Hu, Feng Sheng] Univ Illinois, Dept Geol, Urbana, IL USA. RP Higuera, PE (reprint author), Univ Washington, Coll Forest Resources, Seattle, WA 98195 USA. EM philip.higuera@montana.edu RI Higuera, Philip/B-1330-2010 OI Higuera, Philip/0000-0001-5396-9956 FU U.S. National Science Foundation [0112586]; Arctic System Science Program FX Funding was provided by the U.S. National Science Foundation through a Graduate Research Fellowship to PEH and award number 0112586 to LBB, PMA, and TAB from the Arctic System Science Program. NR 39 TC 98 Z9 98 U1 3 U2 39 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD MAR 5 PY 2008 VL 3 IS 3 AR e0001744 DI 10.1371/journal.pone.0001744 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 367XT UT WOS:000260586600039 PM 18320025 ER PT J AU Cwiertny, DM Baltrusaitis, J Hunter, GJ Laskin, A Scherer, MM Grassian, VH AF Cwiertny, David M. Baltrusaitis, Jonas Hunter, Gordon J. Laskin, Alexander Scherer, Michelle M. Grassian, Vicki H. TI Characterization and acid-mobilization study of iron-containing mineral dust source materials SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID EQUATORIAL PACIFIC-OCEAN; MOSSBAUER-SPECTROSCOPY; ATLANTIC-OCEAN; TRACE-METALS; CHEMICAL-CHARACTERIZATION; ATMOSPHERIC AEROSOLS; PHOTOCHEMICAL METHOD; PHYTOPLANKTON BLOOM; AQUEOUS SUSPENSIONS; QUANTITATIVE ASSAY AB Processes that solubilize iron in mineral dust aerosol may increase the amount of iron supplied to ocean surface waters, and thereby stimulate phytoplankton productivity. In particular, the uptake of acids such as H2SO4 and HNO3 on mineral dust surfaces can produce extremely acidic environments that promote iron dissolution. Here, four samples that represent source materials for mineral dust (Saudi Beach sand (SB), Inland Saudi sand (IS), Saharan Sand (SS) and China Loess (CL)) and one commercial reference material ( Arizona Test Dust (AZTD)) were characterized, and examined in dissolution studies in solutions of sulfuric, nitric and hydrochloric acid ranging from pH 1 to 3. Mossbauer spectroscopy revealed Fe(III) in all samples, whereas SB, CL and AZTD also contained appreciable Fe(II). Spectra suggest that both Fe(II) and Fe(III) were substituted into aluminosilicates, although CL, AZTD and IS also contained Fe(III) oxide phases. Total iron solubility measured after 24 h ranged between 4-16% of the initial iron content for each material, but did not scale with either the specific surface area or the total iron content of the samples. Instead, we show that Fe(II)-containing solid phases such as Fe(II)-substituted aluminosilicates represent a significant, and sometimes dominant, source of soluble Fe in acidic environments. Results of dissolution studies also show that the nature of the acid influences iron solubilization, as elevated concentrations of nitrate encountered from nitric acid at pH 1 suppressed Fe(II) formation. We propose a surface-mediated, non-photochemical redox reaction between nitrate and Fe(II), which may contribute to Fe(II)/Fe(III) cycling in the atmosphere. C1 [Cwiertny, David M.; Baltrusaitis, Jonas; Hunter, Gordon J.; Grassian, Vicki H.] Univ Iowa, Dept Chem, Iowa City, IA 52243 USA. [Laskin, Alexander] Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. [Cwiertny, David M.; Scherer, Michelle M.] Univ Iowa, Dept Civil & Environm Engn, Iowa City, IA 52243 USA. RP Cwiertny, DM (reprint author), Univ Iowa, Dept Chem, Iowa City, IA 52243 USA. EM vicki-grassian@uiowa.edu RI Baltrusaitis, Jonas/F-9367-2013; Mason, Robert/A-6829-2011; Laskin, Alexander/I-2574-2012; OI Laskin, Alexander/0000-0002-7836-8417; Baltrusaitis, Jonas/0000-0001-5634-955X NR 91 TC 69 Z9 70 U1 2 U2 23 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 MAR 4 PY 2008 VL 113 IS D5 AR D05202 DI 10.1029/2007JD009332 PG 18 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 276QG UT WOS:000254156600006 ER PT J AU Olsen, BD Toney, MF Segalman, RA AF Olsen, Bradley D. Toney, Michael F. Segalman, Rachel A. TI Square grains in asymmetric rod-coil block copolymers SO LANGMUIR LA English DT Article ID THIN-FILMS; NANOSTRUCTURES; TRANSITIONS AB Unlike the rounded grains that are well known to form in most soft materials, square grains of microphase-separated lamellae are observed in thin films of a rod-coil block copolymer because of hierarchical structuring originating from the molecular packing of the rods. The square grains are oriented with lamellar layers parallel to the film interface and result from growth along orthogonal low-surface-energy directions as a result of the effects of the tetragonal crystalline lattice that forms within the rod-rich lamellar nanodomains of poly (2,5-di(2'-ethylhexyloxy)-1,4-phenylene vinylene)-b-polyisoprene (PPV-b-PI). These grain shapes form only for a narrow range of coil volume fractions around 72% as a result of kinetic barriers at lower coil fractions and disordering of the lattice at higher coil fractions, and the polydisperse grain size suggests that growth is nucleation-limited. The grains form in both weakly and moderately segregated polymers at all annealing temperatures below the order-disorder transition, and they are observed for all thicknesses at which parallel-oriented grains are grown. C1 [Olsen, Bradley D.; Segalman, Rachel A.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Olsen, Bradley D.; Segalman, Rachel A.] Lawrence Berkeley Lab, Div Mat Sci, Menlo Pk, CA USA. [Toney, Michael F.] Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Segalman, RA (reprint author), Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. EM segalman@berkeley.edu OI Segalman, Rachel/0000-0002-4292-5103 NR 24 TC 14 Z9 14 U1 1 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD MAR 4 PY 2008 VL 24 IS 5 BP 1604 EP 1607 DI 10.1021/la703174e PG 4 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 266TP UT WOS:000253460200006 PM 18220433 ER PT J AU Lorenz, CD Faraudo, J Travesset, A AF Lorenz, Christian D. Faraudo, Jordi Travesset, Alex TI Hydrogen bonding and binding of polybasic residues with negatively charged mixed lipid monolayers SO LANGMUIR LA English DT Article ID MOLECULAR-DYNAMICS SIMULATION; C-KINASE SUBSTRATE; PHOSPHATIDIC-ACID; PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE; ELECTROSTATIC SEQUESTRATION; PHOSPHOLIPID-MEMBRANES; PLASMA-MEMBRANE; BASIC PEPTIDES; FORCE-FIELD; PROTEINS AB Phosphoinositides, phosphorylated products of phosphatidylinositol, are a family of phospholipids present in tiny amounts (1% or less) in the cytosolic surface of cell membranes, yet they play an astonishingly rich regulatory role, particularly in signaling processes. In this letter, we use molecular dynamics simulations on a model system of mixed lipid monolayers to investigate the interaction of phosphatidylinositol 4,5-bisphosphate (PIP2) the most common of the phosphoinositides, with a polybasic peptide consisting of 13 lysines. Our results show that the polybasic peptide sequesters three PIP2 molecules, forming a complex stabilized by the formation of multiple hydrogen bonds between PIP2 and the Lys residues. We also show that the polybasic peptide does not sequester other charged phospholipids such as phosphatidylserine because of the inability to form long-lived stable hydrogen bonds. C1 [Travesset, Alex] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Travesset, Alex] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Faraudo, Jordi] CSIC, Inst Ciencia Mat Barcelona, E-08193 Barcelona, Spain. [Lorenz, Christian D.] Kings Coll London, Div Engn, Mat Res Grp, London WC2R 2LS, England. RP Travesset, A (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. EM trvsst@ameslab.gov RI FARAUDO, JORDI/F-4921-2012 OI FARAUDO, JORDI/0000-0002-6315-4993 NR 39 TC 23 Z9 23 U1 0 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD MAR 4 PY 2008 VL 24 IS 5 BP 1654 EP 1658 DI 10.1021/la703550t PG 5 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 266TP UT WOS:000253460200017 PM 18211111 ER PT J AU Tang, M Ramos, AV Jud, E Chung, SY Gautier-Soyer, M Cannon, RM Carter, WC Chiang, YM AF Tang, Ming Ramos, Ana V. Jud, Eva Chung, Sung-Yoon Gautier-Soyer, Martine Cannon, Rowland M. Carter, W. Craig Chiang, Yet-Ming TI Nanometer-scale wetting of the silicon surface by its equilibrium oxide SO LANGMUIR LA English DT Article ID SIO2/SI INTERFACE; GROWTH; FILMS; DIELECTRICS; NUCLEATION; STABILITY; THICKNESS; ICE; SI AB Despite the extremely broad technical applications of the Si/SiO2 structure, the equilibrium wetting properties of silicon oxide on silicon are poorly understood. Here, we produce new results in which a solid-state buffer method is used to systematically titrate oxygen activity about the Si/SiO2 coexistence value. The equilibrium morphology at the Si(001) surface over > 8 decades of Po-2 about coexistence is revealed to be a uniform sub-stoichiometric SiOx film of sub-manometer thickness, coexisting with secondary island structures which coarsen with annealing time. A new thermodynamic method using chemical potential to stabilize and control surficial oxides in nanoscale devices is suggested. C1 [Tang, Ming; Jud, Eva; Carter, W. Craig; Chiang, Yet-Ming] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Ramos, Ana V.; Gautier-Soyer, Martine] CEA Saclay, DSM, DRECAM, SPCSI, F-91191 Gif Sur Yvette, France. [Chung, Sung-Yoon] Inha Univ, Dept Mat Sci & Engn, Inchon 402751, South Korea. [Cannon, Rowland M.] Lawrence Berkeley Natl Labs, Berkeley, CA 94720 USA. RP Chiang, YM (reprint author), MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. EM ychiang@mit.edu RI Carter, W/K-2406-2012 NR 32 TC 5 Z9 5 U1 0 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD MAR 4 PY 2008 VL 24 IS 5 BP 1891 EP 1896 DI 10.1021/la703331m PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 266TP UT WOS:000253460200053 PM 18217781 ER PT J AU Brown, LO Doorn, SK AF Brown, Leif O. Doorn, Stephen K. TI Optimization of the preparation of glass-coated, dye-tagged metal nanoparticles as SERS substrates SO LANGMUIR LA English DT Article ID ENHANCED RAMAN-SCATTERING; SHELL NANOPARTICLES; GOLD NANOPARTICLES; LIGAND-EXCHANGE; AU; IMMUNOASSAY; GROWTH; SIZE; TAGS AB Dye-tagged metal nanoparticles are of significant interest in SERS-based sensitive detection applications. Coating these particles in glass results in an inert spectral tag that can be used in applications such as flow cytometry with significant multiplexing potential. Maximizing the SERS signal obtainable from these particles requires care in partitioning available nanoparticle surface area (binding sites) between the SERS dyes and the functionalized silanes necessary for anchoring the glass coating. In this article, we use the metal-mediated fluorescence quenching of SERS dyes to measure surface areas occupied by both dyes and silanes and thus examine SERS intensities as a function of both dye and silane loading. Notably, we find that increased surface occupation by silane increases the aggregative power of added dye but that decreasing the silane coverage allows a greater surface concentration of dye. Both effects increase the SERS intensity, but obtaining the optimum SERS intensity will require balancing aggregation against surface dye concentration. C1 [Brown, Leif O.; Doorn, Stephen K.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Brown, LO (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM leif@lanl.gov FU NIBIB NIH HHS [EB003824] NR 22 TC 37 Z9 37 U1 3 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD MAR 4 PY 2008 VL 24 IS 5 BP 2178 EP 2185 DI 10.1021/la703218f PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 266TP UT WOS:000253460200089 PM 18220434 ER PT J AU Harper, JC Polsky, R Wheeler, DR Brozik, SM AF Harper, Jason C. Polsky, Ronen Wheeler, David R. Brozik, Susan M. TI Maleimide-activated aryl diazonium salts for electrode surface functionalization with biological and redox-active molecules SO LANGMUIR LA English DT Article ID GLASSY-CARBON ELECTRODES; SELF-ASSEMBLED MONOLAYERS; ELECTROCHEMICAL REDUCTION; ORGANIC LAYERS; COVALENT IMMOBILIZATION; GLUCOSE-OXIDASE; GOLD ELECTRODES; CYTOCHROME-C; DNA; PROTEIN AB A versatile and simple method is introduced for formation of maleimide-functionalized surfaces using maleimide-activated aryl diazonium salts. We show for the first time electrodeposition of N-(4-diazophenyl)maleimide tetrafluoroborate on gold and carbon electrodes which was characterized via voltammetry, grazing angle FTIR, and ellipsometry. Electrodeposition conditions were used to control film thickness and yielded submonolayer-to-multilayer grafting. The resulting phenylmaleimide surfaces served as effective coupling agents for electrode functionalization with ferrocene and the redox-active protein cytochrome c. The utility of phenylmaleimide diazonium toward formation of a diazonium-activated conjugate, followed by direct electrodeposition of the diazonium-modified DNA onto the electrode surface, was also demonstrated. Effective electron transfer was obtained between immobilized molecules and the electrodes. This novel application of N-phenylmaleimide diazonium may facilitate the development of bioelectronic devices including biofuel cells, biosensors, and DNA and protein microarrays. C1 [Harper, Jason C.; Polsky, Ronen; Wheeler, David R.; Brozik, Susan M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Brozik, SM (reprint author), Sandia Natl Labs, POB 5800,MS-0892, Albuquerque, NM 87185 USA. EM smbrozi@sandia.gov NR 54 TC 49 Z9 49 U1 3 U2 29 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD MAR 4 PY 2008 VL 24 IS 5 BP 2206 EP 2211 DI 10.1021/la702613e PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 266TP UT WOS:000253460200093 PM 18198908 ER PT J AU Qi, YB Ratera, I Park, JY Ashby, PD Quek, SY Neaton, JB Salmeron, M AF Qi, Yabing Ratera, Imma Park, Jeong Y. Ashby, Paul D. Quek, Su Ying Neaton, J. B. Salmeron, Miquel TI Mechanical and charge transport properties of alkanethiol self-assembled monolayers on a Au(111) surface: The role of molecular tilt SO LANGMUIR LA English DT Article ID ATOMIC-FORCE MICROSCOPY; SCANNING-TUNNELING-MICROSCOPY; PHOTOVOLTAIC CELLS; ORGANIC-MOLECULES; METAL JUNCTIONS; FILMS; ADSORPTION; GOLD; RESISTANCE; PRESSURE AB The relationship between charge transport and mechanical properties of alkanethiol self-assembled monolayers (SAMs) on Au(111) films has been investigated using an atomic force microscope with a conductive tip. Molecular tilts induced by the pressure applied by the tip cause stepwise increases in film conductivity. A decay constant beta = 0.57 +/- 0.03 angstrom(-1) was found for the current passing through the film as a function of tip-substrate separation due to this molecular tilt. This is significantly smaller than the value of similar to 1 angstrom(-1) found when the,separation is varied by changing the length of the alkanethiol molecules. Calculations indicate that, for isolated dithiol molecules S-bonded to hollow sites, the junction conductance does not vary significantly as a function of molecular tilt. The impact of S-Au bonding on SAM conductance is discussed. C1 [Qi, Yabing; Ratera, Imma; Park, Jeong Y.; Ashby, Paul D.; Quek, Su Ying; Neaton, J. B.; Salmeron, Miquel] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Appl Sci & Technol Grad Grp, Berkeley, CA 94720 USA. RP Salmeron, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Appl Sci & Technol Grad Grp, Berkeley, CA 94720 USA. EM MBSalmeron@lbl.gov RI Qi, Yabing/A-9243-2010; Park, Jeong Young/A-2999-2008; Ratera, Imma/E-2353-2014; Quek, Su Ying/I-2934-2014; Qi, Yabing/O-7807-2014; Neaton, Jeffrey/F-8578-2015 OI Ratera, Imma/0000-0002-1464-9789; Qi, Yabing/0000-0002-4876-8049; Neaton, Jeffrey/0000-0001-7585-6135 NR 52 TC 41 Z9 41 U1 0 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD MAR 4 PY 2008 VL 24 IS 5 BP 2219 EP 2223 DI 10.1021/la703147q PG 5 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 266TP UT WOS:000253460200095 PM 18225934 ER PT J AU Anderson, AS Dattelbaum, AM Montano, GA Price, DN Schmidt, JG Martinez, JS Grace, WK Grace, KM Swanson, BI AF Anderson, Aaron S. Dattelbaum, Andrew M. Montano, Gabriel A. Price, Dominique N. Schmidt, Jurgen G. Martinez, Jennifer S. Grace, W. Kevin Grace, Karen M. Swanson, Basil I. TI Functional PEG-modified thin films for biological detection SO LANGMUIR LA English DT Article ID POLY(ETHYLENE GLYCOL) FILMS; SELF-ASSEMBLED MONOLAYERS; PERFORMANCE LIQUID-CHROMATOGRAPHY; TRANSFER RADICAL POLYMERIZATION; HISTIDINE-TAGGED PROTEINS; OLIGO(ETHYLENE GLYCOL); SYNCHROTRON-RADIATION; ORGANIC MONOLAYERS; OPTICAL BIOSENSOR; SILICA SURFACES AB We report a general procedure to prepare functional organic thin films for biological assays on oxide surfaces. Silica surfaces were functionalized by self-assembly of an amine-terminated silane film using both vapor- and solution-phase deposition of 3'-aminopropylmethyldiethoxysilane (APMDES). We found that vapor-phase deposition of APMDES under reduced pressure produced the highest quality monolayer films with uniform surface coverage, as determined by atomic force microscopy (AFM), ellipsometry, and contact angle measurements. The amine-terminated films were chemically modified with a mixture of carboxylic acid-terminated poly(ethylene glycol) (PEG) chains of varying functionality. A fraction of the PEG chains (0.1-10 mol %) terminated in biotin, which produced a surface with an affinity toward streptavidin. When used in pseudo-sandwich assays on waveguide platforms for the detection of Bacillus anthracis protective antigen (PA), these functional PEG surfaces significantly reduced nonspecific binding to the waveguide surface while allowing for highly specific binding. Detection of PA was used to validate these films for sensing applications in both buffer and complex media. Ultimately, these results represent, a step toward the realization of a robust, reusable, and autonomous biosensor. C1 [Anderson, Aaron S.; Dattelbaum, Andrew M.; Montano, Gabriel A.; Price, Dominique N.; Schmidt, Jurgen G.; Martinez, Jennifer S.; Grace, W. Kevin; Grace, Karen M.; Swanson, Basil I.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Swanson, BI (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM basil@lanl.gov OI Schmidt, Jurgen/0000-0002-8192-9940 NR 47 TC 52 Z9 52 U1 1 U2 35 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD MAR 4 PY 2008 VL 24 IS 5 BP 2240 EP 2247 DI 10.1021/la7033438 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 266TP UT WOS:000253460200098 PM 18229965 ER PT J AU Norman, MR AF Norman, Michael R. TI Modulated pairs in superconducting cuprates SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Editorial Material ID HIGH-T-C; OXIDE SUPERCONDUCTORS; TEMPERATURE; BI2SR2CACU2O8+DELTA; PSEUDOGAP C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Norman, MR (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM norman@anl.gov RI Norman, Michael/C-3644-2013 NR 21 TC 6 Z9 7 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 MAR 4 PY 2008 VL 105 IS 9 BP 3173 EP 3174 DI 10.1073/pnas.0800433105 PG 2 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 272FY UT WOS:000253846500001 PM 18305153 ER PT J AU Slezak, JA Lee, J Wang, M McElroy, K Fujita, K Andersen, BM Hirschfeld, PJ Eisaki, H Uchida, S Davis, JC AF Slezak, J. A. Lee, Jinho Wang, M. McElroy, K. Fujita, K. Andersen, B. M. Hirschfeld, P. J. Eisaki, H. Uchida, S. Davis, J. C. TI Imaging the impact on cuprate superconductivity of varying the interatomic distances within individual crystal unit cells SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE apical oxygen; dopant atoms; out-of-plane influence; superconducting energy gap; supermodulation ID CU-O SUPERCONDUCTOR; INCOMMENSURATE MODULATION; CRITICAL-TEMPERATURE; BI2SR2CACU2O8+DELTA; OXYGEN; DISORDER AB Many theoretical models of high-temperature superconductivity focus only on the doping dependence of the CuO2-plane electronic structure. However, such models are manifestly insufficient to explain the strong variations in superconducting critical temperature, T-c, among cuprates that have identical hole density but are crystallographically different outside of the CuO2 plane. A key challenge, therefore, has been to identify a predominant out-of-plane influence controlling the superconductivity, with much attention focusing on the distance d(A) between the apical oxygen and the planar copper atom. Here we report direct determination of how variations in interatomic distances within individual crystalline unit cells affect the superconducting energy-gap maximum Delta of Bi2Sr2CaCu2O8+delta. In this material, quasiperiodic variations of unit cell geometry occur in the form of a bulk crystalline "supermodulation." Within each supermodulation period, we find approximate to 9 +/- 1% cosinusoidal variation in local Delta that is anticorrelated with the associated d(A) variations. Furthermore, we show that phenomenological consistency would exist between these effects and the random Delta variations found near dopant atoms if the primary effect of the interstitial dopant atom is to displace the apical oxygen so as to diminish d(A) or tilt the CuO5 pyramid. Thus, we reveal a strong, nonrandom out-of-plane effect on cuprate superconductivity at atomic scale. C1 [Slezak, J. A.; Lee, Jinho; Wang, M.; Fujita, K.; Davis, J. C.] Cornell Univ, Dept Phys, Atom & Solid State Phys Lab, Ithaca, NY 14853 USA. [Lee, Jinho] Univ St Andrews, Sch Phys & Astron, St Andrews KY16 9SS, Fife, Scotland. [McElroy, K.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Andersen, B. M.] Univ Copenhagen, Niels Bohr Inst, Nanosci Ctr, DK-2100 Copenhagen, Denmark. [Hirschfeld, P. J.] Univ Florida, Dept Phys, Gainesville, FL 32611 USA. [Eisaki, H.] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki 3058568, Japan. [Uchida, S.] Univ Tokyo, Dept Phys, Tokyo 1138656, Japan. [Davis, J. C.] Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. RP Davis, JC (reprint author), Cornell Univ, Dept Phys, Atom & Solid State Phys Lab, 622 Clark Hall, Ithaca, NY 14853 USA. EM jcdavis@ccmr.cornell.edu RI Hirschfeld, Peter /A-6402-2010; mcelroy, kyle/D-1816-2013; Andersen, Brian /M-4671-2014 OI Andersen, Brian /0000-0002-9786-7553 NR 38 TC 70 Z9 71 U1 1 U2 25 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 MAR 4 PY 2008 VL 105 IS 9 BP 3203 EP 3208 DI 10.1073/pnas.0706795105 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 272FY UT WOS:000253846500008 PM 18287001 ER PT J AU Wang, J Liu, GD Wu, H Lin, YH AF Wang, Jun Liu, Guodong Wu, Hong Lin, Yuehe TI Sensitive electrochemical immunoassay for 2,4,6-trinitrotoluene based on functionalized silica nanoparticle labels SO ANALYTICA CHIMICA ACTA LA English DT Article DE functionalized silica nanoparticle; electrochemical immunoassay; poly(guanine); 2,4,6-trinitrotoluene; magnetic bead ID SELF-ASSEMBLED MONOLAYER; TIN OXIDE ELECTRODES; CAPILLARY-ELECTROPHORESIS; ENVIRONMENTAL-POLLUTANTS; NITROAROMATIC COMPOUNDS; VOLTAMMETRIC DETECTION; TRINITROTOLUENE TNT; MASS-SPECTROMETRY; CARBON NANOTUBES; NERVE AGENTS AB We present a poly(guanine)-functionalized silica nanoparticle (NP) label-based electrochemical immunoassay for sensitively detecting 2,4,6-trinitrotoluene (TNT). This immunoassay takes advantage of magnetic bead-based platform for competitive displacement immunoreactions and separation, and use electroactive nanoparticles as labels for signal amplification. For this assay, anti-TNT-coated magnetic beads interacted with TNT analog-conjugated poly(guanine)-silica NPs and formed analog-anti-TNT immunocomplexes on magnetic beads. The immunocomplexes coated magnetic beads were exposed to TNT samples, which resulted in displacing the analog conjugated poly(guanine) silica NPs into solution by TNT. In contrast, there are no guanine residues releasing into the solution in the absence of TNT. The reaction solution was then separated from the magnetic beads and transferred,to the electrode surface for electrochemical measurements of guanine oxidation with Ru(bPY)(3)(2+) as mediator. The sensitivity of this TNT assay was greatly enhanced through dual signal amplifications: (1) a large amount of guanine residues on silica nanoparticles are introduced into the test solution by displacement immunoreactions and (2) a Ru(bPY)(3)(2+)-induced guanine catalytic oxidation further enhances the electrochemical signal. Some experimental parameters for the nanoparticle label-based electrochemical immunoassay were studied and the performance of this assay was evaluated. The method is found to be very sensitive and the detection limit of this assay is similar to 0.1 ng mL(-1) TNT. The electrochemical immunoassay based on the poly[guanine]-functionalized silica NP label offers a new approach for sensitive detection of explosives. (c) 2008 Elsevier B.V. All rights reserved. C1 [Wang, Jun; Liu, Guodong; Wu, Hong; Lin, Yuehe] 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 52 TC 29 Z9 29 U1 1 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0003-2670 J9 ANAL CHIM ACTA JI Anal. Chim. Acta PD MAR 3 PY 2008 VL 610 IS 1 BP 112 EP 118 DI 10.1016/j.aca.2008.01.024 PG 7 WC Chemistry, Analytical SC Chemistry GA 275GU UT WOS:000254060700014 PM 18267147 ER PT J AU Basu, SR Martin, LW Chu, YH Gajek, M Ramesh, R Rai, RC Xu, X Musfeldt, JL AF Basu, S. R. Martin, L. W. Chu, Y. H. Gajek, M. Ramesh, R. Rai, R. C. Xu, X. Musfeldt, J. L. TI Photoconductivity in BiFeO(3) thin films SO APPLIED PHYSICS LETTERS LA English DT Article AB The optical properties of epitaxial BiFeO(3) thin films have been characterized in the visible range. Variable temperature spectra show an absorption onset near 2.17 eV, a direct gap (2.667 +/- 0.005 eV at 300 K), and charge transfer excitations at higher energy. Additionally, we report photoconductivity in BiFeO(3) films under illumination from a 100 mW/cm(2) white light source. A direct correlation is observed between the magnitude of the photoconductivity and postgrowth cooling pressure. Dark conductivities increased by an order of magnitude when comparing films cooled in 760 and 0.1 Torr. Large increases in photoconductivity are observed in light. C1 [Basu, S. R.; Martin, L. W.; Chu, Y. H.; Gajek, M.; Ramesh, R.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Basu, S. R.; Martin, L. W.; Chu, Y. H.; Gajek, M.; Ramesh, R.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Basu, S. R.; Martin, L. W.; Chu, Y. H.; Gajek, M.; Ramesh, R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Rai, R. C.; Xu, X.; Musfeldt, J. L.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Basu, SR (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM lwmartin@berkeley.edu RI Ying-Hao, Chu/A-4204-2008; Xu, Xiaoshan/B-1255-2009; Martin, Lane/H-2409-2011 OI Ying-Hao, Chu/0000-0002-3435-9084; Xu, Xiaoshan/0000-0002-4363-392X; Martin, Lane/0000-0003-1889-2513 NR 14 TC 254 Z9 260 U1 9 U2 62 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 MAR 3 PY 2008 VL 92 IS 9 AR 091905 DI 10.1063/1.2887908 PG 3 WC Physics, Applied SC Physics GA 271AO UT WOS:000253761500030 ER PT J AU Ghafoor, N Eriksson, F Gullikson, E Hultman, L Birch, J AF Ghafoor, Naureen Eriksson, Fredrik Gullikson, Eric Hultman, Lars Birch, Jens TI Incorporation of nitrogen in Cr/Sc multilayers giving improved soft x-ray reflectivity SO APPLIED PHYSICS LETTERS LA English DT Article ID MIRRORS; GROWTH; FILMS AB Soft x-ray reflectivity (SXR) of Cr/Sc multilayer with bilayer thickness of Lambda=1.56 nm was increased by 100% by an intentional introduction of nitrogen during magnetron sputtering. Multilayers deposited at background pressures of <= 2x10(-6) Torr exhibited amorphous layers with flat interfaces. At 2x10(-5) Torr, understoichiometric CrN(x)/ScN(y) multilayer with a nitrogen content of similar to 34 at. % was formed. CrN(x)/ScN(y) multilayer comprising of only 100 periods exhibited a SXR of 11.5%. X-ray and electron microscopy analyses showed that the improvement in performance is a result of reduced interfacial diffusion yielding interface widths of <= 0.29 nm. The CrN(x)/ScN(y) multilayer exhibited thermal stability up to >380 degrees C. (C) 2008 American Institute of Physics. C1 [Ghafoor, Naureen; Eriksson, Fredrik; Hultman, Lars; Birch, Jens] Linkoping Univ, IFM, Dept Phys Chem & Biol, SE-58183 Linkoping, Sweden. [Gullikson, Eric] Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Ghafoor, N (reprint author), Linkoping Univ, IFM, Dept Phys Chem & Biol, SE-58183 Linkoping, Sweden. EM naugh@ifm.liu.se RI Birch, Jens/M-4794-2016 OI Birch, Jens/0000-0002-8469-5983 NR 13 TC 11 Z9 12 U1 1 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAR 3 PY 2008 VL 92 IS 9 AR 091913 DI 10.1063/1.2857459 PG 3 WC Physics, Applied SC Physics GA 271AO UT WOS:000253761500038 ER PT J AU Peterson, ER Buth, C Arms, DA Dunford, RW Kanter, EP Krassig, B Landahl, EC Pratt, ST Santra, R Southworth, SH Young, L AF Peterson, E. R. Buth, C. Arms, D. A. Dunford, R. W. Kanter, E. P. Krassig, B. Landahl, E. C. Pratt, S. T. Santra, R. Southworth, S. H. Young, L. TI An x-ray probe of laser-aligned molecules SO APPLIED PHYSICS LETTERS LA English DT Article ID RADIATION PRESSURE; ALIGNMENT; PULSES AB We demonstrate a hard x-ray probe of laser-aligned small molecules. To align small molecules with optical lasers, high intensities at nonresonant wavelengths are necessary. We use 95 ps pulses focused to 40 mu m from an 800 nm Ti:sapphire laser at a peak intensity of 10(12) W/cm(2) to create an ensemble of aligned bromotrifluoromethane (CF(3)Br) molecules. Linearly polarized, 120 ps x-ray pulses, focused to 10 mu m, tuned to the Br 1s-->sigma* preedge resonance at 13.476 keV, probe the ensemble of laser-aligned molecules. The demonstrated methodology has a variety of applications and can enable ultrafast imaging of laser-controlled molecular motions with Angstrom-level resolution. (C) 2008 American Institute of Physics. C1 [Peterson, E. R.; Buth, C.; Arms, D. A.; Dunford, R. W.; Kanter, E. P.; Krassig, B.; Landahl, E. C.; Pratt, S. T.; Santra, R.; Southworth, S. H.; Young, L.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Peterson, ER (reprint author), Univ Michigan, Ann Arbor, MI 48109 USA. EM young@anl.gov RI Landahl, Eric/A-1742-2010; Santra, Robin/E-8332-2014; Buth, Christian/A-2834-2017 OI Santra, Robin/0000-0002-1442-9815; Buth, Christian/0000-0002-5866-3443 NR 20 TC 30 Z9 30 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAR 3 PY 2008 VL 92 IS 9 AR 094106 DI 10.1063/1.2890846 PG 3 WC Physics, Applied SC Physics GA 271AO UT WOS:000253761500128 ER PT J AU Shan, ZW Wiezorek, JMK Knapp, JA Follstaedt, DM Stach, EA Mao, SX AF Shan, Zhiwei Wiezorek, J. M. K. Knapp, J. A. Follstaedt, D. M. Stach, E. A. Mao, S. X. TI Large lattice strain in individual grains of deformed nanocrystalline Ni SO APPLIED PHYSICS LETTERS LA English DT Article ID MOLECULAR-DYNAMICS SIMULATION; TRANSMISSION ELECTRON-MICROSCOPE; SEVERE PLASTIC-DEFORMATION; THIN-FILMS; NANOCRACK NUCLEATION; METALS; NICKEL; MECHANISMS; BEHAVIOR; COPPER AB We have used nanobeam electron diffraction to monitor the behavior of individual grains in nanocrystalline Ni during in situ tensile straining in the transmission electron microscope. The diffraction patterns reveal large variations in the magnitude of grain rotation and indicate that grain interiors can experience large lattice distortions (up to 5.5% linear strain). These large distortions may assist grain rearrangement during grain boundary facilitated deformation and are consistent with the behavior expected of nanocrystalline Ni near its predicted peak in strength. (C) 2008 American Institute of Physics. C1 [Shan, Zhiwei; Wiezorek, J. M. K.; Mao, S. X.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. [Knapp, J. A.; Follstaedt, D. M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Stach, E. A.] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. RP Mao, SX (reprint author), Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. EM smao@engr.pitt.edu RI Stach, Eric/D-8545-2011 OI Stach, Eric/0000-0002-3366-2153 NR 28 TC 4 Z9 4 U1 2 U2 15 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAR 3 PY 2008 VL 92 IS 9 AR 091917 DI 10.1063/1.2889936 PG 3 WC Physics, Applied SC Physics GA 271AO UT WOS:000253761500042 ER PT J AU Talin, AA Wang, GT Lai, E Anderson, RJ AF Talin, A. Alec Wang, George T. Lai, Elaine Anderson, Richard J. TI Correlation of growth temperature, photoluminescence, and resistivity in GaN nanowires SO APPLIED PHYSICS LETTERS LA English DT Article AB The photoluminescence and electrical transport of GaN nanowires grown by metal catalyzed metal-organic chemical vapor deposition were investigated as a function of substrate temperature during growth. As the growth temperature increased from 800 to 900 degrees C, the electrical conduction mechanism changed from space-charge limited to ohmic transport, the nanowire resistivity dropped from similar to 10(7) to similar to 10(-3) Omega cm, and the band edge luminescence increased by more than two orders of magnitude. A strong correlation between the resistivity and the fraction of band edge luminescence for individual nanowires was observed. (c) 2008 American Institute of Physics. C1 [Talin, A. Alec; Lai, Elaine; Anderson, Richard J.] Sandia Natl Labs, Livermore, CA 94550 USA. [Talin, A. Alec] Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. [Wang, George T.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Talin, AA (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM aatalin@sandia.gov RI Wang, George/C-9401-2009 OI Wang, George/0000-0001-9007-0173 NR 14 TC 34 Z9 34 U1 0 U2 15 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAR 3 PY 2008 VL 92 IS 9 AR 093105 DI 10.1063/1.2889941 PG 3 WC Physics, Applied SC Physics GA 271AO UT WOS:000253761500082 ER PT J AU Teplin, CW Jiang, CS Stradins, P Branz, HM AF Teplin, Charles W. Jiang, C. -S. Stradins, Paul Branz, Howard M. TI Cone kinetics model for two-phase film silicon deposition SO APPLIED PHYSICS LETTERS LA English DT Article ID OPEN-CIRCUIT VOLTAGE; MICROCRYSTALLINE SILICON; SOLAR-CELLS; HYDROGEN DILUTION; PLASMA; MICROSTRUCTURE; ELLIPSOMETRY; EVOLUTION; GROWTH; PHASE AB We study quantitatively the morphology of nanocrystalline silicon (nc-Si:H) cones that appear during amorphous silicon (a-Si:H) film growth by chemical vapor deposition from hydrogen-diluted silane. The shapes of the nc-Si:H inclusions are found to be spherical cones, consistent with our "cone kinetics" model for silicon film growth. This model predicts cone development when growth is isotropic and there is sparse nucleation of a second material phase with a higher growth rate. Application of the cone kinetics model provides insights into the deposition of technologically important thin film materials, including protocrystalline silicon, highly P-doped nc-Si:H, silicon heterojunctions, and silicon epitaxy. (c) 2008 American Institute of Physics. C1 [Teplin, Charles W.; Jiang, C. -S.; Stradins, Paul; Branz, Howard M.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Teplin, CW (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM charles_teplin@nrel.gov RI jiang, chun-sheng/F-7839-2012 NR 21 TC 13 Z9 13 U1 1 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAR 3 PY 2008 VL 92 IS 9 AR 093114 DI 10.1063/1.2891087 PG 3 WC Physics, Applied SC Physics GA 271AO UT WOS:000253761500091 ER PT J AU Yu, CH Scullin, ML Huijben, M Ramesh, R Majumdar, A AF Yu, Choongho Scullin, Matthew L. Huijben, Mark Ramesh, Ramamoorthy Majumdar, Arun TI The influence of oxygen deficiency on the thermoelectric properties of strontium titanates SO APPLIED PHYSICS LETTERS LA English DT Article ID ELECTRON-GAS; INTERFACES; TRANSPORT; SRTIO3 AB We report oxygen reduction in bulk strontium titanate substrates when a thin film was deposited in an oxygen-deficient environment. The oxygen diffusion occurred at moderate temperatures and oxygen pressures, which were not enough to produce detectable oxygen vacancies without the film deposition. In order to identify the reduction, we used a series of different annealing conditions and various substrates and performed comparative studies regarding thermoelectric properties before and after removing the films. Our experimental results suggest that the measurements of material properties of thin films on SrTiO(3) single crystal substrates need to be performed carefully due to its strong susceptibility to oxygen deficient conditions. (C) 2008 American Institute of Physics. C1 [Yu, Choongho] Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA. [Yu, Choongho; Scullin, Matthew L.; Ramesh, Ramamoorthy; Majumdar, Arun] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Scullin, Matthew L.; Huijben, Mark; Ramesh, Ramamoorthy] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Majumdar, Arun] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. RP Yu, CH (reprint author), Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA. EM chyu@tamu.edu NR 16 TC 28 Z9 29 U1 3 U2 35 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 MAR 3 PY 2008 VL 92 IS 9 AR 092118 DI 10.1063/1.2890493 PG 3 WC Physics, Applied SC Physics GA 271AO UT WOS:000253761500061 ER PT J AU Zhao, ZY Zhang, WM Yi, C Stiff-Roberts, AD Rodriguez, BJ Baddorf, AP AF Zhao, Z. Y. Zhang, W. M. Yi, C. Stiff-Roberts, A. D. Rodriguez, B. J. Baddorf, A. P. TI Doping characterization of InAs/GaAs quantum dot heterostructure by cross-sectional scanning capacitance microscopy SO APPLIED PHYSICS LETTERS LA English DT Article ID CONTRAST REVERSAL AB In order to better understand dopant incorporation in quantum dot infrared photodetectors, the application of cross-sectional scanning capacitance microscopy (SCM) has been used to investigate carrier occupation/distribution in a multilayer InAs/GaAs quantum dot (QD) heterostructure for different doping techniques. The doping schemes in the QD structure include direct doping (in InAs QD layers) and remote doping (in GaAs barrier layers), each with different doping concentrations. The SCM image suggests that large band bending occurs due to highly doped, remote-doping layers, thereby causing electron redistribution in direct-doping layers. The experimental result is supported by a band structure calculation using the Schrodinger-Poisson method by NEXTNANO3. (C) 2008 American Institute of Physics. C1 [Zhao, Z. Y.; Zhang, W. M.; Yi, C.; Stiff-Roberts, A. D.] Duke Univ, Dept Elect & Comp Engn, Durham, NC 27708 USA. [Rodriguez, B. J.; Baddorf, A. P.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Stiff-Roberts, AD (reprint author), Duke Univ, Dept Elect & Comp Engn, Durham, NC 27708 USA. EM astiff@ee.duke.edu RI Rodriguez, Brian/A-6253-2009; Baddorf, Arthur/I-1308-2016 OI Rodriguez, Brian/0000-0001-9419-2717; Baddorf, Arthur/0000-0001-7023-2382 NR 17 TC 8 Z9 8 U1 1 U2 15 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAR 3 PY 2008 VL 92 IS 9 AR 092101 DI 10.1063/1.2889938 PG 3 WC Physics, Applied SC Physics GA 271AO UT WOS:000253761500044 ER PT J AU Daschbach, JL Thallapally, PK McGrail, BP Dang, LX AF Daschbach, John L. Thallapally, Praveen. K. McGrail, B. Peter Dang, Liem X. TI Dynamics and free energies of CH4 and CO2 in the molecular solid of the p-tert-butylcalix[4] arene SO CHEMICAL PHYSICS LETTERS LA English DT Article ID THERMAL-CONDUCTIVITY; CLATHRATE HYDRATE; METHANE; HOST; ANHARMONICITY; BINDING; STORAGE; MOTIONS; LATTICE; WATER AB The dynamics of the guest molecules CO2 and CH4 in p-tert-butylcalix[4] arene (TBC4) motion were studied from 100 K to 400 K using molecular simulation techniques. The rattling motion of the CH4 guest molecules, characterized by velocity autocorrelation functions, exhibit an increase in the Einstein frequency with increasing temperature. This has been observed experimentally and in simulations for some rare gas clathrate systems. The Einstein frequency for the CH4 molecule shows an increase from 75 cm(-1) at 100 K to 91 cm(-1) at 400 K. The frequency corresponding to the CO2 rattling motion exhibits a single peak and less temperature dependence going from 76 cm(-1) at 100 K to 72 cm(-1) at 400 K. The rotational spectra for CO2 exhibit two peaks at 100 K with the higher frequency peak shifting to lower frequency with increasing temperature. The computed rotational Einstein frequencies go from 86 cm(-1) at 100 K to 71 cm(-1) at 400 K for CO2. The temperature dependent Gibbs absorption free energies of the guest molecules CO2 and CH4 in TBC4 have also been studied at 1 bar using thermodynamic integration from 10 K to 400 K. As expected, the simulated absorption free energy for CO2 is greater at all temperatures than for CH4. At 10 K, the simulated values of -11.4 kcal/mol and -8.4 kcal/mol for CO2 and CH4, respectively, while at 300 K the values are -5.4 kcal/mol and -4.4 kcal/mol. Published by Elsevier B.V. C1 [Daschbach, John L.; Thallapally, Praveen. K.; McGrail, B. Peter; Dang, Liem X.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Dang, LX (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM liem.dang@pnl.gov RI thallapally, praveen/I-5026-2014 OI thallapally, praveen/0000-0001-7814-4467 NR 26 TC 3 Z9 3 U1 0 U2 1 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 MAR 3 PY 2008 VL 453 IS 4-6 BP 123 EP 128 DI 10.1016/j.cplett.2008.01.031 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 276GO UT WOS:000254129500001 ER PT J AU Pluth, MD Tiedemann, BEF Van Halbeek, H Nunlist, R Raymond, KN AF Pluth, Michael D. Tiedemann, Bryan E. F. Van Halbeek, Herman Nunlist, Rudi Raymond, Kenneth N. TI Diffusion of a highly charged supramolecular assembly: Direct observation of ion association in water SO INORGANIC CHEMISTRY LA English DT Article ID NMR-SPECTROSCOPY; GUEST EXCHANGE; HOST; CHEMISTRY; COMPLEXES; CATALYSIS; CAPSULES; LIGAND AB The diffusion coefficient of the self-assembled supramolecular cluster [Ga4L6](12-) depends on the cationic counterions in solution. Diffusion coefficients were determined using the pulsed-gradient spin-echo H-1 NMR method and fit using nonlinear least-squares refinement. Saturation studies revealed a small number of ion-association sites on the exterior of the assembly and the direct observation of ion association in water. The addition of excess alkali-metal cations displaces the ion-associated hydrophobic tetraalkylammonium cations. Comparisons between tetraethyl- and tetrapropylammonium show a preference for ion association with the more hydrophobic cation. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Raymond, KN (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM raymond@socrates.berkeley.edu RI Pluth, Michael/A-7222-2012 OI Pluth, Michael/0000-0003-3604-653X NR 31 TC 23 Z9 23 U1 3 U2 15 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 MAR 3 PY 2008 VL 47 IS 5 BP 1411 EP 1413 DI 10.1021/ic020885 PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 266IU UT WOS:000253428500002 PM 18260621 ER PT J AU Shamov, GA Schreckenbach, G Martin, RL Hay, PJ AF Shamov, Grigory A. Schreckenbach, Georg Martin, Richard L. Hay, P. Jeffrey TI Crown ether inclusion complexes of the early actinide elements, [AnO(2)(18-crown-6)](n+), An = U, Np, Pu and n=1, 2: A relativistic density functional study SO INORGANIC CHEMISTRY LA English DT Article ID EFFECTIVE CORE POTENTIALS; QUANTUM-CHEMICAL METHODS; X-RAY CHARACTERIZATION; URANYL-ION; ELECTRONIC-STRUCTURE; VIBRATIONAL FREQUENCIES; EXPANDED PORPHYRIN; AQUO COMPLEXES; AB-INITIO; MOLECULES AB The title compounds, [AnO(2)(18-crown-6)](n+), An = U, Np, and Pu and n = 1 and 2, as well as the related (experimentally observed) complex [UO2(dicyclohexyl-18-crown-6)](2+). are studied using relativistic density functional theory (DFT). Different relativistic methods (large-core and small-core effective core potentials, all-electron scalar four-component) and two flavors of approximate DFT (B3LYP and PBE) are used. Calculated bond lengths agree well with the available experimental data for the Np-v complex, while larger differences for the U-VI complexes appear to be related to the large uncertainties in the experimental data. The axial An=O bonds are found to be weaker and longer than in the corresponding penta-aquo complexes, though still of partial triple-bond character. The An=O bond lengths and strengths decrease along the actinide series, consistent with the actinide contraction. Gas-phase binding energies calculated for the penta-aquo complexes and crown-ether complexes of the actinides studied, as well as ligand-exchange energies, show that there is no intrinsic preference, or "better fit", for actinyl(V) cations as compared to actinyl(VI) ones. Rather, the ability of NPO2+ (Np-V) to form in-cavity 18-crown-6 complexes in water, which is impossible for UO22+, is traced to solvation effects in polar solvents. Thus, the experimentally observed stabilization of the pentavalent oxidation state as compared to the hexavalent one is due to the effective screening of the charge provided by the macrocycle, and this leads to destabilization of the An(VI) crown complexes relative to their An(V) counterparts. C1 [Shamov, Grigory A.; Schreckenbach, Georg; Hay, P. Jeffrey] Univ Manitoba, Dept Chem, Winnipeg, MB R3T 2N2, Canada. [Martin, Richard L.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Schreckenbach, G (reprint author), Univ Manitoba, Dept Chem, Winnipeg, MB R3T 2N2, Canada. EM schrecke@ce.umanitoba.ca RI Shamov, Grigory/D-3288-2009 NR 69 TC 63 Z9 63 U1 5 U2 34 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 MAR 3 PY 2008 VL 47 IS 5 BP 1465 EP 1475 DI 10.1021/ic7015403 PG 11 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 266IU UT WOS:000253428500011 PM 18225857 ER PT J AU Lee, MH Evans, MJ Daemen, LL Sankey, OF Haussermann, U AF Lee, Myeong H. Evans, Michael J. Daemen, Luke L. Sankey, Otto F. Haeussermann, Ulrich TI Vibrational property study of SrGa2H2 and BaGa2H2 by inelastic neutron scattering and first principles calculations SO INORGANIC CHEMISTRY LA English DT Article ID IR MATRIX-ISOLATION; AB-INITIO; POLYANIONIC HYDRIDES; CRYSTAL-STRUCTURE; RAMAN-SCATTERING; INFRARED-SPECTRA; LATTICE-DYNAMICS; PERIODIC DFT; INS SPECTRA; GALLIUM AB Vibrational properties of the gallium hydrides SrGa2H2 and BaGa2H2 have been investigated by means of inelastic neutron scattering (INS) and first-principles calculations. The compounds contain Ga-H units being part of a two-dimensional polyanionic layer, [(GaH)(GaH)](2-). The INS spectra are composed of dispersed internal Ga-H bending and stretching modes at frequencies above 600 cm(-1) and external lattice modes at frequencies below 220 cm-1. Frequencies of the internal modes are not susceptible to the metal countercation, indicating a strong integrity of the polyanionic layer as a building unit in the structures of SrGa2H2 and BaGa2H2. The Ga-H stretching modes have frequencies between 1200 and 1400 cm(-1), which is very low compared to molecular gallium hydrides. The weak Ga-H bond in SrGa2H2 and BaGa2H2 is balanced by Sr(Ba)-H interactions. C1 [Evans, Michael J.; Haeussermann, Ulrich] Arizona State Univ, Dept Chem & Biochem, Tempe, AZ 85287 USA. [Lee, Myeong H.; Sankey, Otto F.] Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA. [Daemen, Luke L.] Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. RP Haussermann, U (reprint author), Arizona State Univ, Dept Chem & Biochem, PO Box 871604, Tempe, AZ 85287 USA. EM ulrich.haussermann@asu.edu RI Lee, Myeong/F-7932-2010; Lujan Center, LANL/G-4896-2012 NR 56 TC 9 Z9 9 U1 0 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD MAR 3 PY 2008 VL 47 IS 5 BP 1496 EP 1501 DI 10.1021/ic7019318 PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 266IU UT WOS:000253428500014 PM 18237114 ER PT J AU Liu, S Bremer, MT Lovaasen, J Caruso, AN O'Neill, K Simpson, L Parilla, PA Heben, MJ Schulz, DL AF Liu, Shengming Bremer, M. T. Lovaasen, John Caruso, A. N. O'Neill, Kevin Simpson, Lin Parilla, Philip A. Heben, Michael J. Schulz, Douglas L. TI Structural and magnetic studies of two-dimensional solvent-free manganese(II) complexes prepared via ligand exchange reaction under solvothermal conditions SO INORGANIC CHEMISTRY LA English DT Article ID SINGLE-MOLECULE MAGNETS; HIGH-SPIN MOLECULES; HYDROTHERMAL SYNTHESIS; CRYSTAL-STRUCTURE; COORDINATION POLYMERS; FERROMAGNETISM; SUSCEPTIBILITY; CARBOXYLATE AB Systematic investigation of the ligand exchange reactions between manganese(II) acetate and benzoic acid under solvothermal conditions led to the isolation of crystalline complexes [Mn-5(OC(O)CH3)(6)(OC(O)C6H5)(4)}(infinity) (1) and {Mn-5(OC(O)CH3)(4)(OC(O)C6H5)(6)}(infinity) (2) in high (i.e., >90%) yields. The complexes are characterized structurally as 2-D honeycomb-like sheets comprised of edge-shared Mn-12 loops with some noteworthy differences as follows. First, buckling of the 2-D sheet in 1 is not observed for 2, presumably as a consequence of additional intersheet phenyl groups in the latter. Second, complex 1 is comprised of only six-coordinate Mn(II), while 2 has both pseudo-octahedral and distorted trigonal bipyramidal coordinate metal ions. Third, while complex 2 exhibits 7-stacking interactions with intersheet phenyl-phenyl contacts of 3.285 and 3.369 angstrom, 1 exhibits no such bonding. Antiferromagnetic exchange is observed with Weiss constants (theta) of -28 and -56 K and Neel temperatures of 2.2 and 8.2 K for complexes 1 and 2, respectively. The paramagnetic transition at higher temperatures for complex 2 may be attributed to pi-pi, exchange through phenyl groups in adjacent layers. Preliminary gas sorption studies (76 K) indidate preferential adsorption of H-2 versus N-2 for complex 1 only. C1 [Liu, Shengming; Bremer, M. T.; Lovaasen, John; Schulz, Douglas L.] N Dakota State Univ, Ctr Nanoscale Sci & Engn, Fargo, ND 58102 USA. [Caruso, A. N.] Univ Missouri, Dept Phys, Kansas City, MO 64110 USA. [O'Neill, Kevin; Simpson, Lin; Parilla, Philip A.; Heben, Michael J.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Schulz, DL (reprint author), N Dakota State Univ, Ctr Nanoscale Sci & Engn, Res Prk Drive, Fargo, ND 58102 USA. EM Doug.Schulz@ndsu.edu NR 37 TC 11 Z9 11 U1 1 U2 9 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 MAR 3 PY 2008 VL 47 IS 5 BP 1568 EP 1575 DI 10.1021/ic7020879 PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 266IU UT WOS:000253428500021 PM 18257550 ER PT J AU George, SD Karlin, KD AF George, Serena DeBeer Karlin, Kenneth D. TI Protagonists in chemistry SO INORGANICA CHIMICA ACTA LA English DT Editorial Material C1 [George, Serena DeBeer] Stanford Univ, SSRL, SLAC, Menlo Pk, CA 94025 USA. [Karlin, Kenneth D.] Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA. RP George, SD (reprint author), Stanford Univ, SSRL, SLAC, 2575 Sand Hill Rd MS69, Menlo Pk, CA 94025 USA. EM debeer@stanford.edu RI DeBeer, Serena/G-6718-2012 NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0020-1693 J9 INORG CHIM ACTA JI Inorg. Chim. Acta PD MAR 3 PY 2008 VL 361 IS 4 BP 807 EP 808 DI 10.1016/j.ica.2007.09.001 PG 2 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 286PL UT WOS:000254858100001 ER PT J AU Sarangi, R Frank, P Hodgson, KO Hedman, B AF Sarangi, Ritimukta Frank, Patrick Hodgson, Keith O. Hedman, Britt TI When identical functional groups are not identical: A DFT study of the effects of molecular environment on sulfur K-edge X-ray absorption spectra SO INORGANICA CHIMICA ACTA LA English DT Article DE SK-edge; XAS; DFT; bonding ID TUNICATE ASCIDIA-CERATODES; XANES SPECTROSCOPY; PETROLEUM ASPHALTENES; MODEL COMPLEXES; BLOOD-CELLS; DENSITY; SULFATE; SPECIATION; FORMS; APPROXIMATION AB Density functional theory ( DFT) and time-dependent DFT ( TD-DFT) calculations have been used to elucidate differences in the sulfur K-edge spectra of three pairs of related compounds: methionine and S(Me)(3)(+) , cystine and (+/-) 6-thioctic amide, and ( Me) 2SO3 and ( CH2)(2)SO3. TD-DFT is shown to accurately reproduce all the experimental XAS spectra. The 2 eV energy difference in the sulfur K-edge rising edge position between methionine and trimethylsulfonium is shown to derive from changes in bonding rather than the increase in effective nuclear charge. A similar insensitivity to effective nuclear charge is found in the XAS spectra of cystine and ( +/-) 6- thioctic amide. These surprising results are traced back to the fact that XAS spectra reflect orbital energy differences, rather than a measure of the atomic potential. The change in atomic potential following oxidation or reduction affects the core and valence orbitals almost equally. In all cases DFT calculations showed that the dramatic differences in sulfur K-edge spectra found between functional groups in alternative molecular environments derive from the variations in orbital mixing and energies following from bonding. However, XAS rising- edge energy positions have a near linear correlation with oxidation state. This is attributed to the fact that bond strength typically increases with oxidation state. Therefore, although XAS rising- edge energies are an approximate measure of the oxidation state of the absorbing atom, it is important to recognize that the correlation of XAS edge energy with effective nuclear charge is not direct. This result is finally applied to the question of quantitative sulfur speciation in complex materials of chemical, biological, or geological origin. (c) 2007 Elsevier B. V. All rights reserved. C1 [Frank, Patrick; Hodgson, Keith O.; Hedman, Britt] Stanford Univ, Stanford Synchrotron Radiat Lab, SLAC, Stanford, CA 94309 USA. [Sarangi, Ritimukta; Frank, Patrick; Hodgson, Keith O.] Stanford Univ, Dept Chem, Stanford, CA 94309 USA. RP Hodgson, KO (reprint author), Stanford Univ, Stanford Synchrotron Radiat Lab, SLAC, Stanford, CA 94309 USA. EM hodgson@ssrl.slac.stanford.edu; hedman@ssrl.slac.stanford.edu NR 54 TC 13 Z9 13 U1 1 U2 18 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0020-1693 J9 INORG CHIM ACTA JI Inorg. Chim. Acta PD MAR 3 PY 2008 VL 361 IS 4 BP 956 EP 964 DI 10.1016/j.ica.2007.05.047 PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 286PL UT WOS:000254858100017 ER PT J AU George, SD Petrenko, T Neese, F AF George, Serena DeBeer Petrenko, Taras Neese, Frank TI Time-dependent density functional calculations of ligand K-edge X-ray absorption spectra SO INORGANICA CHIMICA ACTA LA English DT Article DE X-ray absorption spectroscopy; time-dependent density functional calculations; ligand K-edge XAS; metal tetrachloride complexes ID CORRECT ASYMPTOTIC-BEHAVIOR; BLUE COPPER SITE; ELECTRONIC-STRUCTURE; WAVE-FUNCTIONS; SPECTROSCOPY; METAL; COVALENCY; COMPLEXES; STATE; PROBE AB The Cl K-edge spectra of a series of metal tetrachloride complexes have been simulated using a simple TD-DFT based protocol. The influence of the chosen density functional, relativistics, basis set, and solvation has been systematically investigated. The results show that good agreement between the calculated spectra and the relative experimental energies and intensities can be achieved by using the BP86 functional with standard polarized triple-zeta basis sets ( such as the TZVP basis of Ahlrichs's and co-workers). Calculated energies and intensities are improved by using the more flexible CP( PPP) basis set on the metal atom. The inclusion of scalar-relativistic effects or solvation does not yield any significant improvement in the results. The subtleties arising from the incorporation of electric quadrupole and magnetic dipole intensity contributions into the calculations are discussed in some detail, and the contributions are shown to be negligible ( similar to 1%) at the Cl K- edge. (c) 2007 Elsevier B. V. All rights reserved. C1 [George, Serena DeBeer] Stanford Univ, Stanford Synchrotron Radiat Lab, SLAC, Stanford, CA 94309 USA. [Petrenko, Taras; Neese, Frank] Inst Phys & Theoret Chem, D-53115 Bonn, Germany. RP George, SD (reprint author), Stanford Univ, Stanford Synchrotron Radiat Lab, SLAC, Stanford, CA 94309 USA. EM debeer@stanford.edu; neese@thch.uni-bonn.de RI DeBeer, Serena/G-6718-2012; Neese, Frank/J-4959-2014 OI Neese, Frank/0000-0003-4691-0547 NR 51 TC 63 Z9 63 U1 1 U2 25 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0020-1693 J9 INORG CHIM ACTA JI Inorg. Chim. Acta PD MAR 3 PY 2008 VL 361 IS 4 BP 965 EP 972 DI 10.1016/j.ica.2007.05.046 PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 286PL UT WOS:000254858100018 ER PT J AU Noorhasan, NN Sharma, VK Cabelli, D AF Noorhasan, Nadine N. Sharma, Virender K. Cabelli, Diane TI Reactivity of ferrate(V) (FeO43-)-O-V with aminopolycarboxylates in alkaline medium: A premix pulse radiolysis SO INORGANICA CHIMICA ACTA LA English DT Article DE ferrate( V); oxidation; aminopolycarboxylates; EDTA; pulse radiolysis ID HIGH-VALENT IRON; AQUEOUS-SOLUTIONS; OXIDATION-STATES; AMINO-ACIDS; NONHEME; MECHANISM; COMPLEXES; CHEMISTRY; KINETICS; HEME AB A premix pulse radiolysis technique was used to study the reaction between Fe( V) and APCs. Fe( V) reactions with glycine, IDA, NTA, EDTA and DTPA were measured at pH 12.5. Spectral results showed that Fe( V) is reduced to Fe( III); therefore, the reaction of Fe( V) with APCs proceeds via a concerted two-electron oxidation, which converts Fe( V) to Fe( III). The rate law for the oxidation of these APCs by Fe( V) is first- order with respect to each reactant at this pH. Fe( V) reactivity with APCs at pH 12.5 was found to increase in the order of tertiary < secondary < primary and vary from 1.6 x 10(2) M-1 s (-1) to 1.4 x 10(4) M-1 s(-1). Both EDTA and DTPA reacted faster than NTA with Fe( V) and Fe( VI). The order of reactivity of amines with Fe( V) suggests that FeO43- attacks at the nitrogen atom sites of the APCs, which leads to large differences in the rate constants. In addition, Fe( V) is approximately three-to five-orders of magnitude more reactive than Fe( VI). The reaction of Fe( V) with EDTA was studied as a function of pH ( 9.0 - 12.5). The rate constants increased as the pH decreased. The speciation of EDTA and Fe( V) were used to fit the data. (c) 2007 Elsevier B. V. All rights reserved. C1 [Noorhasan, Nadine N.; Sharma, Virender K.] Florida Inst Technol, Dept Chem, Melbourne, FL 32901 USA. [Cabelli, Diane] Brookhaven Natl Lab, Dept Chem, Long Isl City, NY 11973 USA. RP Sharma, VK (reprint author), Florida Inst Technol, Dept Chem, 150 W Univ Blvd, Melbourne, FL 32901 USA. EM vsharma@fit.edu NR 54 TC 9 Z9 9 U1 3 U2 12 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0020-1693 J9 INORG CHIM ACTA JI Inorg. Chim. Acta PD MAR 3 PY 2008 VL 361 IS 4 BP 1041 EP 1046 DI 10.1016/j.ica.2007.07.019 PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 286PL UT WOS:000254858100025 ER PT J AU George, SJ Fu, JX Guo, YS Drury, OB Friedrich, S Rauchfuss, T Volkers, PI Peters, JC Scott, V Brown, SD Thomas, CM Cramer, SP AF George, Simon J. Fu, Juxia Guo, Yisong Drury, Owen B. Friedrich, Stephan Rauchfuss, Thomas Volkers, Phillip I. Peters, Jonas C. Scott, Valerie Brown, Steven D. Thomas, Christine M. Cramer, Stephen P. TI X-ray photochemistry in iron complexes from Fe(0) to Fe(IV) - Can a bug become a feature? SO INORGANICA CHIMICA ACTA LA English DT Article DE soft X-ray spectroscopy; iron L-edge spectroscopy; nitrogen K-edge spectroscopy; X-ray absorption spectroscopy; metalloprotein; radiation damage; X-ray photochemistry; photoreduction; photooxidation; photolysis ID ADVANCED LIGHT-SOURCE; CYTOCHROME-C OXIDASE; RADIATION-DAMAGE; ACTIVE-SITE; ABSORPTION-SPECTROSCOPY; UNDULATOR BEAMLINE; CRYSTAL-STRUCTURE; PROTEIN CRYSTALS; PHOTO-REDUCTION; CRYSTALLOGRAPHY AB Under intense soft X-ray irradiation, we have observed time-dependent changes in the soft X-ray spectra of virtually all the Fe coordination complexes that we have examined, indicating chemical transformation of the compound under study. Each compound, with oxidation states ranging from Fe(IV) to Fe(0), has been studied with either Fe L-edge spectroscopy or N K-edge spectroscopy. We find that very often a well-defined spectroscopic change occurs, at least initially, which is apparently capable of straightforward interpretation in terms of X-ray induced photoreduction, photooxidation or ligand photolysis. We briefly discuss the probable chemical nature of the changes and then estimate the rate of chemical change, thereby establishing the necessary radiation dose. We also demonstrate that the photochemistry not only depends on the Fe oxidation state but also the coordination chemistry of the complex. It seems that a proper understanding of such X-ray photochemical effects could well greatly assist the assignment of soft X-ray spectra of uncharacterized metal sites. (C) 2007 Elsevier B.V. All rights reserved. C1 [George, Simon J.; Friedrich, Stephan; Cramer, Stephen P.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Adv Biol & Environm Xray Facil, Berkeley, CA 94720 USA. [Fu, Juxia; Guo, Yisong; Cramer, Stephen P.] Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. [Drury, Owen B.; Friedrich, Stephan] Lawrence Livermore Natl Lab, Adv Detector Grp, Livermore, CA 94550 USA. [Rauchfuss, Thomas; Volkers, Phillip I.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. [Peters, Jonas C.; Scott, Valerie; Brown, Steven D.; Thomas, Christine M.] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. RP Cramer, SP (reprint author), Lawrence Berkeley Natl Lab, Phys Biosci Div, Adv Biol & Environm Xray Facil, Berkeley, CA 94720 USA. EM spjcramer@ucdavis.edu RI Guo, Yisong/C-7785-2009 OI Guo, Yisong/0000-0002-4132-3565 NR 38 TC 17 Z9 17 U1 3 U2 22 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0020-1693 J9 INORG CHIM ACTA JI Inorg. Chim. Acta PD MAR 3 PY 2008 VL 361 IS 4 BP 1157 EP 1165 DI 10.1016/j.ica.2007.10.039 PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 286PL UT WOS:000254858100039 ER PT J AU Wu, J Murphy, JB Wang, XJ Wang, K AF Wu, Juhao Murphy, James B. Wang, Xijie Wang, Kelin TI Exponential growth, superradiance, and tunability of a seeded free electron laser SO OPTICS EXPRESS LA English DT Article ID REGIME; FEL; PULSE AB Exponential growth and superradiance regimes in a high-gain free electron laser (FEL) are studied in this paper for both a seeded FEL and a Self-Amplified Spontaneous Emission (SASE) FEL. The results are compared to the earlier superrdaince theory and the recent experimental observation. The influence of an initial energy chirp along the electron bunch on the superradiance mode is explored for the first time. With a short seed to increase the initial seed bandwidth, a tunable seeded FEL is possible. (c) 2008 Optical Society of America. C1 [Wu, Juhao] Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. [Murphy, James B.; Wang, Xijie] Brookhaven Natl Lab, Natl Synchrotron Light Source Dept, Upton, NY 11973 USA. [Wang, Kelin] SW Univ Sci & Technol, Sch Sci, Mianyang 621010, Peoples R China. [Wang, Kelin] Univ Sci & Technol China, Dept Modern Phys, Anhua 230026, Peoples R China. RP Wu, J (reprint author), Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. EM jhwu@slac.stanford.edu NR 16 TC 4 Z9 4 U1 2 U2 3 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 MAR 3 PY 2008 VL 16 IS 5 BP 3255 EP 3260 DI 10.1364/OE.16.003255 PG 6 WC Optics SC Optics GA 276DK UT WOS:000254121300045 PM 18542413 ER PT J AU Clark, JN Williams, GJ Quiney, HM Whitehead, L de Jonge, MD Hanssen, E Altissimo, M Nugent, KA Peele, AG AF Clark, J. N. Williams, G. J. Quiney, H. M. Whitehead, L. de Jonge, M. D. Hanssen, E. Altissimo, M. Nugent, K. A. Peele, A. G. TI Quantitative phase measurement in coherent diffraction imaging SO OPTICS EXPRESS LA English DT Article ID RECONSTRUCTION; ALGORITHMS; RETRIEVAL AB We demonstrate spatial resolution phase retrieval of a nonperiodic gold nano-structure using the method of Fresnel coherent diffractive imaging. The result is quantitative to better than 10% and does not rely on any a priori knowledge of the sample. (C) 2008 Optical Society of America. C1 [Clark, J. N.; Peele, A. G.] La Trobe Univ, Dept Phys, Bundoora, Vic 3086, Australia. [Williams, G. J.; Quiney, H. M.; Whitehead, L.; Nugent, K. A.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [de Jonge, M. D.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Hanssen, E.] La Trobe Univ, Dept Biochem, Bundoora, Vic 3086, Australia. [Altissimo, M.] CSIRO, Mfg & Mat Technol, Clayton, Vic 3169, Australia. RP Peele, AG (reprint author), La Trobe Univ, Dept Phys, Bundoora, Vic 3086, Australia. EM a.peele@latrobe.edu.au RI de Jonge, Martin/C-3400-2011; Williams, Garth/H-1606-2012; Nugent, Keith/J-2699-2012; Nugent, Keith/I-4154-2016; Hanssen, Eric/A-7217-2013 OI Nugent, Keith/0000-0003-1522-8991; Nugent, Keith/0000-0002-4281-3478; Hanssen, Eric/0000-0002-4064-1844 NR 16 TC 19 Z9 19 U1 0 U2 7 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 MAR 3 PY 2008 VL 16 IS 5 BP 3342 EP 3348 DI 10.1364/OE.16.003342 PG 7 WC Optics SC Optics GA 276DK UT WOS:000254121300056 PM 18542424 ER PT J AU Houk, RJT Monzingo, A Anslyn, EV AF Houk, Ronald J. T. Monzingo, Arthur Anslyn, Eric V. TI Electrophilic coordination catalysis: A summary of previous thought and a new angle of analysis SO ACCOUNTS OF CHEMICAL RESEARCH LA English DT Review ID BARRIER HYDROGEN-BONDS; PROTON-TRANSFER REACTIONS; PIG CITRATE SYNTHASE; FREE ENERGY PLOTS; TRIOSEPHOSPHATE ISOMERASE; MANDELATE RACEMASE; TRANSITION-STATE; CARBON ACIDS; COENZYME-A; NONPERFECT SYNCHRONIZATION AB One of the most common, and yet least well understood, enzymatic transformations is proton abstraction from activated carbon acids such as carbonyls. Understanding the mechanism for these proton abstractions is basic to a good understanding of enzyme function. Significant controversy has arisen over the means by which a given enzyme might facilitate these deprotonations. Creating small molecule mimics of enzymes and physical organic studies that model enzymes are good approaches to probing mechanistic enzymology. This Account details a number of molecular recognition and physical organic studies, both from our laboratory and others, dealing with the elucidation of this quandary. Our analysis launches from an examination of the active sites and proposed mechanism of several enzyme-catalyzed deprotonations of carbon acids. This analysis highlights the geometries of the hydrogen bonds found at the enzyme active sites. We find evidence to support pi-oriented hydrogen bonding, rather than lone pair oriented hydrogen bonding. Our observations prompted us to study the stereochemistry of hydrogen bonding that activates carbonyl a-carbons to deprotonation. The results from our own thermodynamic, kinetics, and computational studies, all of which are reviewed herein, suggest that an unanticipated level of intermediate stabilization occurs via an electrophilic interaction through the T-molecular orbital as opposed to traditional lone pair directed coordination. We do not postulate that hydrogen bonding to pi-systems is intrinsically stronger than to lone pairs, but rather that there is a greater change in bond strength during deprotonation when the hydrogen bonds are oriented at the pi-system. Through these studies, we conclude that many enzymes preferentially activate their carbon acid substrates through an electrophilic coordination directed towards the pi-bond of the carbonyl rather than the conventional lone pair directed model. C1 [Monzingo, Arthur; Anslyn, Eric V.] Univ Texas Austin, Dept Chem & Biochem, Austin, TX 78712 USA. [Houk, Ronald J. T.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Houk, RJT (reprint author), Univ Texas Austin, Dept Chem & Biochem, 1 Univ Stn A5300, Austin, TX 78712 USA. EM anslyn@ccwf.cc.utexas.edu FU NIGMS NIH HHS [GM 65515] NR 68 TC 17 Z9 17 U1 1 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0001-4842 J9 ACCOUNTS CHEM RES JI Accounts Chem. Res. PD MAR PY 2008 VL 41 IS 3 BP 401 EP 410 DI 10.1021/ar700127n PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 276FU UT WOS:000254127500005 PM 18229891 ER PT J AU Cruz-Silva, E Cullen, DA Gu, L Romo-Herrera, JM Munoz-Sandoval, E Lopez-Urias, F Sumpter, BG Meunier, V Charlier, JC Smith, DJ Terrones, H Terrones, M AF Cruz-Silva, Eduardo Cullen, David A. Gu, Lin Romo-Herrera, Jose Manuel Munoz-Sandoval, Emilio Lopez-Urias, Florentino Sumpter, Bobby G. Meunier, Vincent Charlier, Jean-Christophe Smith, David J. Terrones, Humberto Terrones, Mauricio TI Heterodoped nanotubes: Theory, synthesis, and characterization of phosphorus-nitrogen doped multiwalled carbon nanotubes SO ACS NANO LA English DT Article DE multiwalled carbon nanotubes; chemical vapor deposition; doping; electronic structure ID SEQUENTIAL CATALYTIC GROWTH; ELECTRON-GAS; MICROTUBULES; ARRAYS AB Arrays of multiwalled carbon nanotubes doped with phosphorus (P) and nitrogen (N) are synthesized using a solution of ferrocene, triphenyl-phosphine, and benzylamine in conjunction with spray pyrolysis. We demonstrate that iron phosphide (Fe3P) nanoparticles act as catalysts during nanotube growth, leading to the formation of novel PN-doped multiwalled carbon nanotubes. The samples were examined by high resolution electron microscopy and microanalysis techniques, and their chemical stability was explored by means of thermogravimetric analysis in the presence of oxygen. The PN-doped structures reveal important morphology and chemical changes when compared to N-doped nanotubes. These types of heterodoped nanotubes are predicted to offer many new opportunities, in the fabrication of fast-response chemical sensors. C1 [Cruz-Silva, Eduardo; Romo-Herrera, Jose Manuel; Munoz-Sandoval, Emilio; Lopez-Urias, Florentino; Terrones, Humberto; Terrones, Mauricio] IPICyT, Adv Mat Dept, San Luis Potosi 78216, Mexico. [Cullen, David A.; Gu, Lin; Smith, David J.] Arizona State Univ, Sch Mat, Tempe, AZ 85287 USA. [Cullen, David A.; Gu, Lin; Smith, David J.] Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA. [Sumpter, Bobby G.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Charlier, Jean-Christophe] Catholic Univ Louvain, PCPM & ETSF, B-1348 Louvain, Belgium. RP Terrones, M (reprint author), IPICyT, Adv Mat Dept, Camino Presa San Jose 2055, San Luis Potosi 78216, Mexico. EM mterrones@ipicyt.edu.mx RI Cruz-Silva, Eduardo/B-7003-2009; Gu, Lin/F-3980-2010; Gu, Lin/D-9631-2011; Meunier, Vincent/F-9391-2010; Sumpter, Bobby/C-9459-2013; Terrones, Mauricio/B-3829-2014; Cullen, David/A-2918-2015; Munoz-Sandoval, Emilio/N-1059-2014 OI Cruz-Silva, Eduardo/0000-0003-2877-1598; Gu, Lin/0000-0002-7504-031X; Meunier, Vincent/0000-0002-7013-179X; Sumpter, Bobby/0000-0001-6341-0355; Cullen, David/0000-0002-2593-7866; Munoz-Sandoval, Emilio/0000-0002-6095-4119 NR 27 TC 86 Z9 86 U1 10 U2 82 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD MAR PY 2008 VL 2 IS 3 BP 441 EP 448 DI 10.1021/nn700330w PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 280EM UT WOS:000254408000011 PM 19206568 ER PT J AU Wen, K Maoz, R Cohen, H Sagiv, J Gibaud, A Desert, A Ocko, BM AF Wen, Ke Maoz, Rivka Cohen, Hagai Sagiv, Jacob Gibaud, Alain Desert, Anne Ocko, Benjamin M. TI Postassembly chemical modification of a highly ordered organosilane multilayer: New insights into the structure, bonding, and dynamics of self-assembling silane monolayers SO ACS NANO LA English DT Review DE self-assembling monolayers; organosilane monolayers; organosilane multilayers; chemical modification; molecular organization; covalent bonding; hydrogen bonding; infrared spectroscopy; X-ray scattering; X-ray photoelectron spectroscopy; contact angle ID ATOMIC-FORCE MICROSCOPY; LANGMUIR-BLODGETT MONOLAYERS; N-ALKYLSILOXANE MONOLAYERS; SILICON-OXIDE SURFACES; BUILT-UP FILMS; X-RAY; ADSORBED MONOLAYERS; OCTADECYLSILOXANE MONOLAYERS; CONSTRUCTIVE NANOLITHOGRAPHY; INFRARED-SPECTROSCOPY AB Experimental evidence derived from a comprehensive study of a self-assembled organosilane multilayer film system undergoing a process of postassembly chemical modification that affects interlayer-located polar groups of the constituent molecules while preserving its overall molecular architecture allows a quantitative evaluation of both the degree of intralayer polymerization and that of interlayer covalent bonding of the silane headgroups in a highly ordered layer assembly of this type. The investigated system consists of a layer-by-layer assembled multilayer of a bifunctional n-alkyl silane with terminal alcohol group that is in situ converted, via a wet chemical oxidation process conducted on the entire multilayer, to the corresponding carboxylic acid function. A combined chemical-structural analysis of data furnished by four different techniques, Fourier transform infrared spectroscopy (FTIR), synchrotron X-ray scattering, X-ray photoelectron spectroscopy (XPS), and contact angle measurements, demonstrates that the highly ordered 3D molecular arrangement of the initial alcohol-silane multilayer stack is well preserved upon virtually quantitative conversion of the alcohol to carboxylic acid and the concomitant irreversible cleavage of interlayer covalent bonds. Thus, the correlation of quantitative chemical and structural data obtained from such unreacted and fully reacted film samples offers an unprecedented experimental framework within which it becomes possible to differentiate between intralayer and interlayer covalent bonding. In addition, the use of a sufficiently thick multilayer effectively eliminates the interfering contributions of the underlying silicon oxide substrate to both the X-ray scattering and XPS data. The present findings contribute a firm experimental basis to the elucidation of the self-assembly mechanism, the molecular organization, and the modes and dynamics of intra- and interlayer bonding prevailing in highly ordered organosilane films; with further implications for the rational exploitation of some of the unique options such supramolecular surface entities can offer in the advancement of a chemical nanofabrication methodology. C1 [Wen, Ke; Maoz, Rivka; Sagiv, Jacob] Weizmann Inst Sci, Dept Mat & Interface, IL-76100 Rehovot, Israel. [Cohen, Hagai] Weizmann Inst Sci, Dept Chem Res Support, IL-76100 Rehovot, Israel. [Gibaud, Alain; Desert, Anne] Univ Maine, Fac Sci, CNRS, UPRES A 6087, F-72085 Le Mans, France. [Ocko, Benjamin M.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Sagiv, J (reprint author), Weizmann Inst Sci, Dept Mat & Interface, IL-76100 Rehovot, Israel. EM jacob.sagiv@weizmann.ac.il NR 115 TC 66 Z9 67 U1 6 U2 96 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 J9 ACS NANO JI ACS Nano PD MAR PY 2008 VL 2 IS 3 BP 579 EP 599 DI 10.1021/nn800011t PG 21 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 280EM UT WOS:000254408000028 PM 19206585 ER PT J AU Chiravalle, VP AF Chiravalle, Vincent P. TI Nuclear electric ion propulsion for three deep space missions SO ACTA ASTRONAUTICA LA English DT Article ID TRAJECTORIES; POWER AB Nuclear electric ion propulsion is considered for three sample deep space missions starting from a 500 km low Earth orbit encompassing the transfer of a 100 MT payload into a 1500 km orbit around Mars, the rendezvous of a 10 MT payload with the Jovian moon Europa and the rendezvous of a similar payload with Saturn's moon Titan. Near term ion engine and space nuclear reactor technology are assumed. It is shown that nuclear electric ion propulsion offers more than twice the payload for the Mars mission relative to the case when a nuclear thermal rocket is used for the trans-Mars injection maneuver at Earth, and about the same payload advantage relative to the case when solar electric propulsion is used for the Mars heliocentric transfer. For missions to the outer planets nuclear electric ion propulsion increases the payload mass fraction by a factor of two or more compared with high thrust systems that utilize gravity assist trajectories. Published by Elsevier Ltd. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Chiravalle, VP (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM chiravle@lanl.gov NR 33 TC 2 Z9 2 U1 2 U2 6 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0094-5765 J9 ACTA ASTRONAUT JI Acta Astronaut. PD MAR-APR PY 2008 VL 62 IS 6-7 BP 374 EP 390 DI 10.1016/j.actaastro.2007.07.002 PG 17 WC Engineering, Aerospace SC Engineering GA 290OQ UT WOS:000255132500003 ER PT J AU Rodriguez, MA Zifer, T Vance, AL Wong, BM Leonard, F AF Rodriguez, Mark A. Zifer, Thomas Vance, Andrew L. Wong, Bryan M. Leonard, Francois TI (E)-2-{Ethyl[4-(4-nitrophenyldiazenyl)phenyl]amino}ethyl anthracene-9-carboxylate SO ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE LA English DT Article AB The crystal structure of the title compound, C31H26N4O4, displays a trans conformation for the nitrophenyldiazenyl portion of the molecule. Packing diagrams indicate that weak C-H center dot center dot center dot O hydrogen bonds, likely associated with a strong dipole moment present in the molecule, dictate the arrangement of molecules in the crystal structure. C1 [Rodriguez, Mark A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Zifer, Thomas; Vance, Andrew L.; Wong, Bryan M.; Leonard, Francois] Sandia Natl Labs, Livermore, CA 94551 USA. RP Rodriguez, MA (reprint author), Sandia Natl Labs, POB 5800,MS 1411, Albuquerque, NM 87185 USA. EM marodri@sandia.gov RI Wong, Bryan/B-1663-2009 OI Wong, Bryan/0000-0002-3477-8043 NR 10 TC 4 Z9 4 U1 0 U2 3 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2056-9890 J9 ACTA CRYSTALLOGR E JI Acta Crystallogr. Sect. E.-Struct Rep. Online PD MAR PY 2008 VL 64 BP O595 EP U1166 DI 10.1107/S1600536808004108 PN 3 PG 12 WC Crystallography SC Crystallography GA 271MI UT WOS:000253792100101 PM 21201933 ER PT J AU Mazumdar, PA Kumaran, D Swaminathan, S Das, AK AF Mazumdar, Pooja Anjali Kumaran, Desigan Swaminathan, Subramanyam Das, Amit Kumar TI A novel acetate-bound complex of human carbonic anhydrase II SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS LA English DT Article ID PROGRAM AB The enzyme human carbonic anhydrase II ( hCAII) crystallized in an acetate-bound complex belonging to space group P2(1)2(1)2(1), with unit-cell parameters a = 42.3, b = 71.8, c = 74.0 angstrom. The structure was solved by the molecular-replacement method and refined to an R value of 0.18 and an R-free of 0.21. The acetate molecule replaced the zinc-bound water molecule in the structure, differing from previous reports regarding the site of acetate binding. This mode of binding disrupts the hydrogen-bonded solvent network required for activity of the enzyme. This mode of inhibitor binding is a novel one that has not been observed previously. C1 [Mazumdar, Pooja Anjali; Das, Amit Kumar] Indian Inst Technol, Dept Biotechnol, Kharagpur 721302, W Bengal, India. [Kumaran, Desigan; Swaminathan, Subramanyam] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Das, AK (reprint author), Indian Inst Technol, Dept Biotechnol, Kharagpur 721302, W Bengal, India. EM amitk@hijli.iitkgp.ernet.in NR 17 TC 5 Z9 5 U1 0 U2 1 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 MAR PY 2008 VL 64 BP 163 EP 166 DI 10.1107/S1744309108002078 PN 3 PG 4 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 271LY UT WOS:000253791100003 PM 18323598 ER PT J AU Pereira, JH Ha, SC Kim, SH AF Pereira, Jose Henrique Ha, Sung Chul Kim, Sung-Hou TI Crystallization and preliminary X-ray analysis of human Brn-5 transcription factor in complex with DNA SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS LA English DT Article ID POU-DOMAIN; BINDING SPECIFICITY; PROTEINS; PRINCIPLES; EXPRESSION AB The Brn-5 protein plays an important role in the control of cellular development and belongs to a class of transcription factors that usually contain two domains: the POU homeodomain (POUHD) and the POU-specific domain (POUS). Since high-quality crystals suitable for crystallographic studies of the proteins of this class are difficult to obtain, all the known structural information available is for POUHD and/or POUS. This paper describes several critical steps that allowed the production of high-quality crystals of the full-length Brn-5 protein complexed with its cognate DNA. C1 [Pereira, Jose Henrique; Ha, Sung Chul; Kim, Sung-Hou] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Kim, Sung-Hou] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Kim, SH (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM shkim@cchem.berkeley.edu FU NIGMS NIH HHS [GM62412, P50 GM062412] NR 19 TC 2 Z9 2 U1 0 U2 1 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 MAR PY 2008 VL 64 BP 175 EP 178 DI 10.1107/S1744309108003370 PN 3 PG 4 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 271LY UT WOS:000253791100006 PM 18323601 ER PT J AU Byun, TS Farrell, K Li, MM AF Byun, Thak Sang Farrell, Kenneth Li, Meimei TI Deformation in metals after low-temperature irradiation: Part I - Mapping macroscopic deformation modes on true stress-dose plane SO ACTA MATERIALIA LA English DT Article DE metallic materials; irradiation effect; plastic instability stress; fracture stress; deformation mode maps ID AUSTENITIC STAINLESS-STEELS; TARGET CONTAINER MATERIALS; NEUTRON-IRRADIATION; TENSILE PROPERTIES; MECHANICAL-PROPERTIES; PLASTIC INSTABILITY; POLYCRYSTALLINE METALS; HARDENING BEHAVIOR; MICROSTRUCTURES; DEPENDENCE AB Macroscopic deformation modes, elastic, uniform plastic, and unstable plastic deformation modes, are mapped in tensile true stress-dose space for more than two dozen metallic materials consisting of 13 body-centered cubic (bcc), 11 face-centered cubic (fcc), and two hexagonal closed packed (hcp) metals. The boundaries between different deformation zones are set by the true stress versus dose curves: the yield stress (YS), plastic instability stress (PIS), and true fracture stress (FS) plotted as functions of dose. Values for these true stresses are obtained from uniaxial tensile tests or calculated from engineering tensile data using a linear strain-hardening model for necking deformation. The relatively low-strength annealed fcc metals display large uniform plasticity regions, while unstable deformation regions are dominant in the harder bcc and hcp metals. PIS values for all materials are independent of dose except for the precipitation-hardened IN718 alloy, where a decrease of PIS occurs due to an irradiation-induced change in second phases. In the bcc materials for high-temperature application, such as 9Cr ferritic/martensitic steels, sintered molybdenum, vanadium, and tantalum, the radiation-induced embrittlement is characterized in terms of FS decreasing with dose at relatively high doses. FS is nearly dose-independent below the critical dose for embrittlement. It is concluded that the tensile stress-based deformation mode maps effectively integrate mechanical property information and characterize differences in radiation effects between crystalline structures or material groups. Published by Elsevier Ltd on behalf of Acta Materialia Inc. C1 [Byun, Thak Sang; Farrell, Kenneth; Li, Meimei] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Byun, TS (reprint author), Oak Ridge Natl Lab, POB 2008,MS-6151, Oak Ridge, TN 37831 USA. EM byunts@ornl.gov NR 42 TC 11 Z9 11 U1 1 U2 23 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 MAR PY 2008 VL 56 IS 5 BP 1044 EP 1055 DI 10.1016/j.actamat.2007.10.061 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 276ZU UT WOS:000254183000014 ER PT J AU Byun, TS Farrell, K Li, MK AF Byun, Thak Sang Farrell, Kenneth Li, Meimei TI Deformation in metals after low-temperature irradiation: Part II - Irradiation hardening, strain hardening, and stress ratios SO ACTA MATERIALIA LA English DT Article DE irradiated metals; irradiation-hardening rate; strain-hardening rate; plastic instability stress; fracture stress ID AUSTENITIC STAINLESS-STEEL; DEFECT CLUSTER FORMATION; COPPER SINGLE CRYSTALS; POLYCRYSTALLINE METALS; NEUTRON-IRRADIATION; ELEVATED-TEMPERATURE; PLASTIC INSTABILITY; DOSE DEPENDENCE; HCP METALS; ALLOYS AB Effects of irradiation at temperatures <= 200 degrees C on tensile stress parameters are analyzed for dozens of body-centered cubic (bcc), face-centered cubic (fee), and hexagonal close packed (hcp) pure metals and alloys, focusing on irradiation hardening, strain hardening, and relationships between the true stress parameters. Similar irradiation-hardening rates are observed for all the metals irrespective of crystal type. Typically, irradiation-hardening rates are large, in the range 100-1000 GPa/dpa, at the lowest dose of <0.0001 dpa and decrease with dose to a few tens of MPa/dpa or less at about 10 dpa. However, average irradiation-hardening rates over the dose range of 0 dpa-D(C) (the dose to plastic instability at yield) are considerably lower for stainless steels due to their high uniform ductility. It is shown that whereas low-temperature irradiation increases the yield stress, it does not significantly change the strain-hardening rate of metallic materials; it decreases the fracture stress only when non-ductile failure occurs. Such dose independence in strain-hardening behavior results in strong linear relationships between the true stress parameters. Average ratios of plastic instability stress to unirradiated yield stress are about 1.4, 3.9. and 1.3 for bee metals (and precipitation hardened IN718 alloy), annealed fee metals (and pure Zr), and Zr-4 alloy, respectively. Ratios of fracture stress to plastic instability stress are calculated to be 2.2, 1.7, and 2. 1, respectively. Comparison of these values confirms that the annealed fee metals and other soft metals have larger uniform ductility but smaller necking ductility when compared to other materials. Published by Elsevier Ltd on behalf of Acta Materialia Inc. C1 [Byun, Thak Sang; Farrell, Kenneth; Li, Meimei] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Byun, TS (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd,POB 2008,MS-6151, Oak Ridge, TN 37831 USA. EM byunts@ornl.gov NR 58 TC 12 Z9 12 U1 4 U2 25 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 MAR PY 2008 VL 56 IS 5 BP 1056 EP 1064 DI 10.1016/j.actamat.2007.10.056 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 276ZU UT WOS:000254183000015 ER PT J AU Christensen, RM AF Christensen, R. M. TI Observations on the definition of yield stress SO ACTA MECHANICA LA English DT Article AB The difficulties of establishing an unambiguously physical definition for the yield stress property are discussed. Although too complex for routine application, a specific and completely physical definition of yield stress is developed and illustrated here, showing that the definition need not be of an arbitrary specification. C1 [Christensen, R. M.] Lawrence Livermore Natl Lab, Livermore, CA 94520 USA. [Christensen, R. M.] Stanford Univ, Stanford, CA 94305 USA. RP Christensen, RM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94520 USA. EM christensen6@llnl.gov NR 5 TC 10 Z9 11 U1 0 U2 7 PU SPRINGER WIEN PI WIEN PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA SN 0001-5970 J9 ACTA MECH JI Acta Mech. PD MAR PY 2008 VL 196 IS 3-4 BP 239 EP 244 DI 10.1007/s00707-007-0478-0 PG 6 WC Mechanics SC Mechanics GA 277RX UT WOS:000254233500009 ER PT J AU Zyvoloski, GA Robinson, BA Viswanathan, HS AF Zyvoloski, George A. Robinson, Bruce A. Viswanathan, Hari S. TI Generalized dual porosity: A numerical method for representing spatially variable sub-grid scale processes SO ADVANCES IN WATER RESOURCES LA English DT Article DE groundwater modeling; solute transport modeling; generalized dual porosity ID POROUS-MEDIA; FLOW; TRANSPORT; MODELS; WATER AB A generalized dual porosity method (GDPM) has been developed to incorporate sub-grid scale heterogeneity into large-scale flow and transport simulations. The method is spatially variable in the sense that the method can be applied with different levels of resolution for different spatial nodes in the simulation. The method utilizes the nodal connectivity structure and linear equation solvers of unstructured grids like those used in the finite element method, and can be applied to any problem without externally modifying the numerical grid. The algorithm scales linearly in CPU time and storage with the number of GDPM nodes. We demonstrate the utility and computational efficiency of the technique with two verification problems and an example problem of a field site. (c) 2007 Elsevier Ltd. All rights reserved. C1 [Zyvoloski, George A.; Viswanathan, Hari S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Robinson, Bruce A.] Los Alamos Natl Lab, Civilian Nucl Programs, Los Alamos, NM 87545 USA. RP Viswanathan, HS (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM viswana@lanl.gov RI Robinson, Bruce/F-6031-2010 NR 18 TC 17 Z9 17 U1 0 U2 7 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 J9 ADV WATER RESOUR JI Adv. Water Resour. PD MAR PY 2008 VL 31 IS 3 BP 535 EP 544 DI 10.1016/j.advwatres.2007.11.006 PG 10 WC Water Resources SC Water Resources GA 280AQ UT WOS:000254397700010 ER PT J AU Linder, EV AF Linder, Eric V. TI Resource letter DEAU-1: Dark energy and the accelerating universe SO AMERICAN JOURNAL OF PHYSICS LA English DT Bibliography AB This Resource Letter provides a guide to the literature on dark energy and the accelerating universe. It is intended to be of use to researchers, teachers, and students at several levels. Journal articles, books, and websites are cited for the following topics: Einstein's cosmological constant, quintessence or dynamical scalar fields, modified cosmic gravity, relations to high-energy physics, cosmological probes and observations, terrestrial probes, calculational tools and parameter estimation, teaching strategies and educational resources, and the fate of the universe. (c) 2008 American Association of Physics Teachers. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Linder, EV (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NR 0 TC 35 Z9 35 U1 0 U2 2 PU AMER ASSOC PHYSICS TEACHERS AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0002-9505 J9 AM J PHYS JI Am. J. Phys. PD MAR PY 2008 VL 76 IS 3 BP 197 EP 204 DI 10.1119/1.2805230 PG 8 WC Education, Scientific Disciplines; Physics, Multidisciplinary SC Education & Educational Research; Physics GA 262BP UT WOS:000253124300001 ER PT J AU Spears, BK Tufillaro, NB AF Spears, Brian K. Tufillaro, Nicholas B. TI A chaotic lock-in amplifier SO AMERICAN JOURNAL OF PHYSICS LA English DT Article ID SYSTEMS; SYNCHRONIZATION; COMMUNICATION AB We describe a method for lock-in amplification that uses a chaotic reference signal and a synchronized receiver. This technique is compared with conventional lock-in methods using a periodic reference signal. The apparatus can be constructed in an undergraduate electronics lab using a light emitting diode for the transmitter and a photodiode for the receiver, and allows students to explore a novel measurement technique based on chaotic dynamics. (c) 2008 American Association of Physics Teachers. C1 [Spears, Brian K.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Tufillaro, Nicholas B.] Agilent Labs, Measurement Res Lab, Santa Clara, CA 95051 USA. RP Spears, BK (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM nbt.osu@gmail.com NR 16 TC 2 Z9 3 U1 0 U2 3 PU AMER ASSOC PHYSICS TEACHERS AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0002-9505 J9 AM J PHYS JI Am. J. Phys. PD MAR PY 2008 VL 76 IS 3 BP 213 EP 217 DI 10.1119/1.2835055 PG 5 WC Education, Scientific Disciplines; Physics, Multidisciplinary SC Education & Educational Research; Physics GA 262BP UT WOS:000253124300003 ER PT J AU Wenzel, TP Ross, M AF Wenzel, Thomas P. Ross, Marc TI Safer vehicles for people and the planet SO AMERICAN SCIENTIST LA English DT Article C1 [Wenzel, Thomas P.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ross, Marc] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. RP Wenzel, TP (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,Room 90-4000, Berkeley, CA 94720 USA. EM TPWenzel@lbl.gov NR 3 TC 1 Z9 1 U1 0 U2 1 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 MAR-APR PY 2008 VL 96 IS 2 BP 122 EP 128 DI 10.1511/2008.70.3638 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 262GL UT WOS:000253136900015 ER PT J AU Zelenyuk, A Imre, D Han, JH Oatis, S AF Zelenyuk, Alla Imre, Dan Han, Jeong-Ho Oatis, Susan TI Simultaneous measurements of individual ambient particle size, composition, effective density, and hygroscopicity SO ANALYTICAL CHEMISTRY LA English DT Article ID AEROSOL MASS-SPECTROMETRY; ALIPHATIC-AMINES; CONTROLLED DIMENSIONS; ATMOSPHERIC AEROSOL; AERODYNAMIC LENSES; NOZZLE EXPANSIONS; WATER-UPTAKE; MOBILITY; GROWTH; CYCLOALKENES AB The interaction between atmospheric particles and water vapor impacts directly and significantly the effect that these particles exert on the atmosphere. The hygroscopicity of individual particles, which is a quantitative measure of their response to changes in relative humidity, is related to their internal compositions. To properly include atmospheric aerosols in any model requires lmowledge of the relationship between particle size, composition, and hygroscopicity. Here we demonstrate the capability to conduct in real time the simultaneous measurements of individual ambient particle hygroscopic growth factors, densities, and compositions using a humidified tandem differential mobility analyzer that is coupled to an ultrasensitive single-particle mass spectrometer. We use as an example the class of particles that are composed of sulfate mixed with oxygenated organics to illustrate how multidimensional single-particle characterization can be extended to yield in addition quantitative information about the composition of individual particles. We show that the data provide the relative concentrations of organics and sulfates, the density of the two fractions, and particle hygroscopicity. C1 [Zelenyuk, Alla] Pacific NW Natl Lab, Richland, WA 99354 USA. [Han, Jeong-Ho] Boston Coll, Chestnut Hill, MA 02467 USA. [Oatis, Susan] SUNY Stony Brook, Stony Brook, NY 11794 USA. RP Zelenyuk, A (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM alla.zelenyuk@pnl.gov NR 40 TC 33 Z9 35 U1 3 U2 27 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 MAR 1 PY 2008 VL 80 IS 5 BP 1401 EP 1407 DI 10.1021/ac701723v PG 7 WC Chemistry, Analytical SC Chemistry GA 268EG UT WOS:000253560900018 PM 18254610 ER PT J AU Page, JS Tang, K Kelly, RT Smith, RD AF Page, Jason S. Tang, Keqi Kelly, Ryan T. Smith, Richard D. TI Subambient pressure ionization with nanoelectrospray source and interface for improved sensitivity in mass spectrometry SO ANALYTICAL CHEMISTRY LA English DT Article ID ELECTRODYNAMIC ION FUNNEL; ELECTROSPRAY-IONIZATION; ATMOSPHERIC-PRESSURE; TAYLOR CONES; IN-VACUO; TRANSMISSION; PROTEOMICS; SEPARATIONS; EMITTERS; BEAM AB \A nanoelectrospray ionization mass spectrometry (ESIMS) source and interface has been designed that enables efficient ion production and transmission in a 30 Torr pressure environment using solvents compatible with typical reversed-phase liquid chromatography (RPLC) separations. In this design, the electrospray emitter is located inside the mass spectrometer in the same region as an electrodynamic ion funnel. This avoids the use of a conductance limiting ion inlet, as required by a conventional atmospheric pressure ESI source, and allows more efficient ion transmission to the mass analyzer. The new subambient pressure ionization with nanoelectrospray (SPIN) source improves instrument sensitivity and enables new electrospray interface designs, including the use of multi-emitter approaches. Performance of the SPIN source was evaluated by electrospraying standard solutions at 300 nL/min and comparing results with those obtained from a standard atmospheric pressure ESI source that used a heated capillary inlet. This initial study demonstrated an similar to 5-fold improvement in sensitivity when the SPIN source was used compared to a standard atmospheric pressure ESI source. The importance of desolvation was also investigated by electrospraying at different flow rates, which showed that the ion funnel provided an effective desolvation region to aid the creation of gas-phase analyte ions. C1 [Page, Jason S.; Tang, Keqi; Kelly, Ryan T.; Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. RP Smith, RD (reprint author), Pacific NW Natl Lab, Div Biol Sci, POB 999, Richland, WA 99352 USA. EM rds@pnl.gov RI Kelly, Ryan/B-2999-2008; Smith, Richard/J-3664-2012 OI Kelly, Ryan/0000-0002-3339-4443; Smith, Richard/0000-0002-2381-2349 FU NCI NIH HHS [R21 CA126191, R33 CA126191, R33 CA126191-02]; NCRR NIH HHS [P41 RR018522, P41 RR018522-05, RR018522] NR 40 TC 39 Z9 40 U1 3 U2 36 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 MAR 1 PY 2008 VL 80 IS 5 BP 1800 EP 1805 DI 10.1021/ac702354b PG 6 WC Chemistry, Analytical SC Chemistry GA 268EG UT WOS:000253560900065 PM 18237189 ER PT J AU Bagwell, CE Milliken, CE Ghoshroy, S Blom, DA AF Bagwell, C. E. Milliken, C. E. Ghoshroy, S. Blom, D. A. TI Intracellular copper accumulation enhances the growth of Kineococcus radiotolerans during chronic irradiation SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID GAMMA-RADIATION RESISTANCE; DEINOCOCCUS-RADIODURANS; IONIZING-RADIATION; HYDROGEN-PEROXIDE; ESCHERICHIA-COLI; SUPEROXIDE-DISMUTASE; OXYGEN RADICALS; SURVIVAL; DAMAGE; DNA AB The actinobacterium Kineococcus radiotolerans is highly resistant to ionizing radiation, desiccation, and oxidative stress, though the underlying biochemical mechanisms are unknown. The purpose of this study was to explore a possible linkage between the uptake of transition metals and extreme resistance to ionizing radiation and oxidative stress. The effects of six different divalent cationic metals on growth were examined in the absence of ionizing radiation. None of the metals tested were stimulatory, though cobalt was inhibitory to growth. In contrast, copper supplementation dramatically increased colony formation during chronic irradiation. K. radiotolerans exhibited specific uptake and intracellular accumulation of copper, compared to only a weak response to both iron and manganese supplementation. Copper accumulation sensitized cells to hydrogen peroxide. Acute-irradiation-induced DNA damage levels were similar in the copper-loaded culture and the age-synchronized no-copper control culture, though low-molecular-weight DNA was more persistent during postirradiation recovery in the Cu-loaded culture. Still, the estimated times for genome restoration differed by only 2 h between treatments. While we cannot discount the possibility that copper fulfills an unexpectedly important biochemical role in a low-radioactivity environment, K. radiotolerans has a high capacity for intracellular copper sequestration and presumably efficiently coordinated oxidative stress defenses and detoxification systems, which confers cross-protection from the damaging effects of ionizing radiation. C1 [Bagwell, C. E.; Milliken, C. E.] Savannah River Natl Lab, Aiken, SC 29803 USA. [Ghoshroy, S.; Blom, D. A.] Univ S Carolina, Ctr Electron Microscopy, Columbia, SC 29208 USA. RP Bagwell, CE (reprint author), Savannah River Natl Lab, 227 Gateway Dr,Bldg 999-W, Aiken, SC 29803 USA. EM Christopher.bagwell@srnl.doe.gov NR 52 TC 16 Z9 18 U1 0 U2 4 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD MAR PY 2008 VL 74 IS 5 BP 1376 EP 1384 DI 10.1128/AEM.02175-07 PG 9 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 271MO UT WOS:000253792700010 PM 18192425 ER PT J AU Hansel, CM Fendorf, S Jardine, PM Francis, CA AF Hansel, Colleen M. Fendorf, Scott Jardine, Phillip M. Francis, Christopher A. TI Changes in bacterial and archaeal community structure and functional diversity along a geochemically variable soil profile SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID AMMONIA-OXIDIZING ARCHAEA; 16S RIBOSOMAL-RNA; SULFATE-REDUCING PROKARYOTES; FERMENTANS GEN. NOV.; MICROBIAL COMMUNITIES; FOREST SOIL; NITRITE-REDUCTASE; MOLECULAR CHARACTERIZATION; KINGDOM CRENARCHAEOTA; MARINE-SEDIMENTS AB Spatial heterogeneity in physical, chemical, and biological properties of soils allows for the proliferation of diverse microbial communities. Factors influencing the structuring of microbial communities, including availability of nutrients and water, pH, and soil texture, can vary considerably with soil depth and within soil aggregates. Here we investigated changes in the microbial and functional communities within soil aggregates obtained along a soil profile spanning the surface, vadose zone, and saturated soil environments. The composition and diversity of microbial communities and specific functional groups involved in key pathways in the geochemical cycling of nitrogen, Fe, and sulfur were characterized using a coupled approach involving cultivation-independent analysis of both 16S rRNA (bacterial and archaeal) and functional genes (amoA and dsrAB) as well as cultivation-based analysis of Fe (III)-reducing organisms. Here we found that the microbial communities and putative ammonia-oxidizing and Fe (III) -reducing communities varied greatly along the soil profile, likely reflecting differences in carbon availability, water content, and pH. In particular, the Crenarchaeota 16S rRNA sequences are largely unique to each horizon, sharing a distribution and diversity similar to those of the putative (amoA-based) ammonia-oxidizing archaeal community. Anaerobic microenvironments within soil aggregates also appear to allow for both anaerobic- and aerobic-based metabolisms, further highlighting the complexity and spatial heterogeneity impacting microbial community structure and metabolic potential within soils. C1 [Hansel, Colleen M.; Fendorf, Scott; Francis, Christopher A.] Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA. [Jardine, Phillip M.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Hansel, CM (reprint author), Harvard Univ, Sch Engn & Appl Sci, Pierce Hall,Room 118, Cambridge, MA 02138 USA. EM hansel@seas.harvard.edu NR 94 TC 183 Z9 199 U1 18 U2 123 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 MAR PY 2008 VL 74 IS 5 BP 1620 EP 1633 DI 10.1128/AEM.01787-07 PG 14 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 271MO UT WOS:000253792700037 PM 18192411 ER PT J AU Mockos, GR Smith, WA Loge, FJ Thompson, DN AF Mockos, Gregory R. Smith, William A. Loge, Frank J. Thompson, David N. TI Selective enrichment of a methanol-utilizing consortium using pulp and paper mill waste streams SO APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY LA English DT Article DE foul condensate; waste-activated sludge; polyhydroxyalkanoates; pulp mill; natural fiber reinforced thermoplastic composite ID POLY-BETA-HYDROXYBUTYRATE; CHEMICAL RECOVERY PROCESS; ACTIVATED-SLUDGE BIOMASS; BIODEGRADABLE POLYMERS; KRAFT PULP; POLYHYDROXYALKANOATES; DYNAMICS; COMMUNITY; REACTORS; NITROGEN AB Efficient utilization of carbon inputs is critical to the economic viability of the current forest products sector. Input carbon losses occur in various locations within a pulp mill, including losses as volatile organics and wastewater. Opportunities exist to capture this carbon in the form of value-added products such as biodegradable polymers. Waste-activated sludge from a pulp mill wastewater facility was enriched for 80 days for a methanol-utilizing consortium with the goal of using this consortium to produce biopolymers from methanol-rich pulp mill waste streams. Five enrichment conditions were utilized: three high-methanol streams from the kraft mill foul condensate system, one methanol-amended stream from the mill wastewater plant, and one methanol-only enrichment. Enrichment reactors were operated aerobically in sequencing batch mode at neutral pH and 25 degrees C with a hydraulic residence time and a solids retention time of 4 days. Non-enriched waste activated sludge did not consume methanol or reduce chemical oxygen demand. With enrichment, however, the chemical oxygen demand reduction over 24-h feed/decant cycles ranged from 79 to 89%, and methanol concentrations dropped below method detection limits. Neither the non-enriched waste-activated sludge nor any of the enrichment cultures accumulated polyhydroxyalkanoates (PHAs) under conditions of nitrogen sufficiency. Similarly, the non-enriched waste activated sludge did not accumulate PHAs under nitrogen-limited conditions. By contrast, enriched cultures accumulated PHAs to nearly 14% on a dry weight basis under nitrogen-limited conditions. This indicates that selectively enriched pulp mill waste activated sludge can serve as an inoculum for PHA production from methanol-rich pulp mill effluents. C1 [Smith, William A.; Thompson, David N.] Idaho Natl Lab, Dept Biol Sci, Idaho Falls, ID 83415 USA. [Mockos, Gregory R.; Loge, Frank J.] Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA. RP Thompson, DN (reprint author), Idaho Natl Lab, Dept Biol Sci, POB 1625, Idaho Falls, ID 83415 USA. EM David.Thompson@inl.gov NR 32 TC 5 Z9 6 U1 3 U2 10 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA SN 0273-2289 J9 APPL BIOCHEM BIOTECH JI Appl. Biochem. Biotechnol. PD MAR PY 2008 VL 148 IS 1-3 BP 211 EP 226 DI 10.1007/s12010-007-8028-8 PG 16 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 289MD UT WOS:000255057700019 PM 18418753 ER PT J AU Decker, SR Teter, S AF Decker, Stephen R. Teter, Sarah TI Introduction to session 2: Enzyme catalysis and engineering SO APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY LA English DT Editorial Material C1 [Decker, Stephen R.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Teter, Sarah] Novozymes Inc, Davis, CA 95618 USA. RP Decker, SR (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM steve_decker@nrel.gov NR 0 TC 0 Z9 0 U1 0 U2 2 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA SN 0273-2289 J9 APPL BIOCHEM BIOTECH JI Appl. Biochem. Biotechnol. PD MAR PY 2008 VL 146 IS 1-3 BP 1 EP 2 DI 10.1007/s12010-008-8223-2 PG 2 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 289YG UT WOS:000255089200001 PM 18408900 ER PT J AU Karagulyan, HK Gasparyan, VK Decker, SR AF Karagulyan, Hakob K. Gasparyan, Vardan K. Decker, Stephen R. TI Immobilization of fungal beta-glucosidase on silica gel and kaolin carriers SO APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY LA English DT Article DE beta-glucosidase; immobilization; silica gel; kaolin; thermostability; corn stover; enzymatic hydrolysis ID WINE AB beta-Glucosidase is a key enzyme in the hydrolysis of cellulose for producing feedstock glucose for various industrial processes. Reuse of enzyme through immobilization can significantly improve the economic characteristics of the process. Immobilization of the fungal beta-glucosidase by covalent binding and physical adsorption on silica gel and kaolin was conducted for consequent application of these procedures in large-scale industrial processes. Different immobilization parameters (incubation time, ionic strength, pH, enzyme/support ratio, glutaric aldehyde concentration, etc.) were evaluated for their effect on the thermal stability of the immobilized enzyme. It was shown that the immobilized enzyme activity is stable at 50 degrees C over 8 days. It has also been shown that in the case of immobilization on kaolin, approximately 95% of the initial enzyme was immobilized onto support, and loss of activity was not observed. However, covalent binding of the enzyme to silica gel brings significant loss of enzyme activity, and only 35% of activity was preserved. In the case of physical adsorption on kaolin, gradual desorption of enzyme takes place. To prevent this process, we have carried out chemical modification of the protein. As a result, after repeated washings, enzyme desorption from kaolin has been reduced from 75 to 20-25% loss. C1 [Karagulyan, Hakob K.; Gasparyan, Vardan K.] Inst Biotechnol, Yerevan, Armenia. [Decker, Stephen R.] Natl Renewable Energy Lab, Chem & Biosci Ctr, Golden, CO 80401 USA. RP Karagulyan, HK (reprint author), Inst Biotechnol, 14 Gyurjyan Str, Yerevan, Armenia. EM hackarag@yahoo.com NR 17 TC 23 Z9 23 U1 5 U2 22 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA SN 0273-2289 EI 1559-0291 J9 APPL BIOCHEM BIOTECH JI Appl. Biochem. Biotechnol. PD MAR PY 2008 VL 146 IS 1-3 BP 39 EP 47 DI 10.1007/s12010-007-8065-3 PG 9 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 289YG UT WOS:000255089200005 PM 18421585 ER PT J AU Selig, MJ Knoshaug, EP Decker, SR Baker, JO Himmel, ME Adney, WS AF Selig, Michael J. Knoshaug, Eric P. Decker, Stephen R. Baker, John O. Himmel, Michael E. Adney, William S. TI Heterologous expression of Aspergillus niger beta-D-Xylosidase (XlnD): Characterization on lignocellulosic substrates SO APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY LA English DT Article DE xylosidase; xylanase; xylo-oligomer; pretreatment; lignocellulose; cellobiohydrolase ID XYLANASE; PRETREATMENT; XYLOSE AB The gene encoding a glycosyl hydrolase family 3 xylan 1,4-beta-xylosidase, xlnD, was successfully cloned from Aspergillus niger strain ATCC 10864. The recombinant product was expressed in Aspergillus awamori, purified by column chromatography, and verified by matrix-assisted laser desorption ionization, tandem time of flight (MALDI-TOF/TOF) mass spectroscopy of tryptic digests. The T (max) was determined using differential scanning microcalorimetry (DSC) to be 78.2 degrees C; the K (m) and k (cat) were found to be 255 mu M and 13.7 s(-1), respectively, using pNP-beta-D-xylopyranoside as substrate. End-product inhibition by D-xylose was also verified and shown to be competitive; the K(i) for this inhibition was estimated to be 3.3 mM. XlnD was shown to efficiently hydrolyze small xylo-oligomers to monomeric xylose, making it a critical hydrolytic activity in cases where xylose is to be recovered from biomass conversion processes. In addition, the presence of the XlnD was shown to synergistically enhance the ability of an endoxylanase, XynA from Thermomyces lanuginosus, to convert xylan present in selected pretreated lignocellulosic substrates. Furthermore, the addition of the XynA/XlnD complex was effective in enhancing the ability of a simplified cellulase complex to convert glucan present in the substrates. C1 [Selig, Michael J.; Knoshaug, Eric P.; Decker, Stephen R.; Baker, John O.; Himmel, Michael E.; Adney, William S.] Chem & Biosci Ctr, Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Selig, MJ (reprint author), Chem & Biosci Ctr, Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM michael_selig@nrel.gov NR 19 TC 32 Z9 35 U1 1 U2 13 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA SN 0273-2289 J9 APPL BIOCHEM BIOTECH JI Appl. Biochem. Biotechnol. PD MAR PY 2008 VL 146 IS 1-3 BP 57 EP 68 DI 10.1007/s12010-007-8069-z PG 12 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 289YG UT WOS:000255089200007 PM 18421587 ER PT J AU Knoshaug, EP Selig, MJ Baker, JO Decker, SR Himmel, ME Adney, WS AF Knoshaug, Eric P. Selig, Michael J. Baker, John O. Decker, Stephen R. Himmel, Michael E. Adney, William S. TI Heterologous expression of two ferulic acid esterases from Penicillium funiculosum SO APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY LA English DT Article DE ferulic acid esterase; hemicellulose; cellulose; biomass digestion; heterologous expression ID ASPERGILLUS-NIGER; NEUROSPORA-CRASSA; DEGRADATION AB Two recombinant ferulic acid esterases from Penicillium funiculosum produced in Aspergillus awamori were evaluated for their ability to improve the digestibility of pretreated corn stover. The genes, faeA and faeB, were cloned from P. funiculosum and expressed in A. awamori using their native signal sequences. Both enzymes contain a catalytic domain connected to a family 1 carbohydrate-binding module by a threonine-rich linker peptide. Interestingly, the carbohydrate binding-module is N-terminal in FaeA and C-terminal in FaeB. The enzymes were purified to homogeneity using column chromatography, and their thermal stability was characterized by differential scanning microcalorimetry. We evaluated both enzymes for their potential to enhance the cellulolytic activity of purified Trichoderma reesei Cel7A on pretreated corn stover. C1 [Knoshaug, Eric P.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. [Selig, Michael J.; Baker, John O.; Decker, Stephen R.; Himmel, Michael E.; Adney, William S.] Natl Renewable Energy Lab, Chem & Biosci Ctr, Golden, CO 80401 USA. RP Knoshaug, EP (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. EM eric_knoshaug@nrel.gov NR 16 TC 12 Z9 15 U1 0 U2 11 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA SN 0273-2289 J9 APPL BIOCHEM BIOTECH JI Appl. Biochem. Biotechnol. PD MAR PY 2008 VL 146 IS 1-3 BP 79 EP 87 DI 10.1007/s12010-007-8074-2 PG 9 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 289YG UT WOS:000255089200009 PM 18421589 ER PT J AU Borole, AP Davison, BH AF Borole, Abhijeet P. Davison, Brian H. TI Improving activity of salt-lyophilized enzymes in organic media SO APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY LA English DT Article DE subtilisin Carlsberg; salt lyophilization; nonaqueous media; drug derivatization; bergenin; acylation; surfactant; PEG ID COMBINATORIAL BIOCATALYSIS; NONAQUEOUS MEDIA; SOLVENTS; ACTIVATION; CHYMOTRYPSIN; ABSENCE; LIPASE AB Lyophilization with salts has been identified as an important method of activating enzymes in organic media. Using salt-activated enzymes to transform molecules tethered to solid surfaces in organic phase requires solubilization of enzymes in the solvents. Methods of improving performance of salt-lyophilized enzymes, further, via chemical modification, and use of surfactants and surfactants to create fine emulsions prior to lyophilization are investigated. The reaction system used is transesterification of N-acetyl phenylalanine ethyl ester with methanol or propanol. Initial rate of formation of amino acid esters by subtilisin Carlsberg (SC) was studied and found to increase two to sevenfold by either chemical modification or addition of surfactants in certain solvents, relative to the salt (only)-lyophilized enzyme. The method to prepare highly dispersed enzymes in a salt-surfactant milieu also improved activity by two to threefold. To test the effect of chemical modification on derivatization of drug molecules, acylation of bergenin was investigated using chemically modified SC. C1 [Borole, Abhijeet P.; Davison, Brian H.] Oak Ridge Natl Lab, Biosci Dept, Oak Ridge, TN 37831 USA. RP Borole, AP (reprint author), Oak Ridge Natl Lab, Biosci Dept, Oak Ridge, TN 37831 USA. EM borolea@ornl.gov RI Borole, AP/F-3933-2011; Davison, Brian/D-7617-2013; OI Davison, Brian/0000-0002-7408-3609; Borole, Abhijeet/0000-0001-8423-811X NR 23 TC 6 Z9 6 U1 0 U2 8 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA SN 0273-2289 J9 APPL BIOCHEM BIOTECH JI Appl. Biochem. Biotechnol. PD MAR PY 2008 VL 146 IS 1-3 BP 215 EP 222 DI 10.1007/s12010-007-8033-y PG 8 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 289YG UT WOS:000255089200020 PM 18421599 ER PT J AU Kuiken, T Zhang, H Gustin, M Lindberg, S AF Kuiken, Todd Zhang, Hong Gustin, Mae Lindberg, Steve TI Mercury emission from terrestrial background surfaces in the eastern USA. Part I: Air/surface exchange of mercury within a southeastern deciduous forest (Tennessee) over one year SO APPLIED GEOCHEMISTRY LA English DT Article; Proceedings Paper CT 8th International Conference on Mercury as a Global Pollutant CY AUG 06-11, 2006 CL Madison, WI SP Univ Wisconsin Madison, US Geol Survey, Univ Wisconsin La Crosse ID DYNAMIC FLUX CHAMBER; GASEOUS ELEMENTAL MERCURY; SOILS; AIR; MODEL; VAPOR; SIMULATION; ATMOSPHERE; FLORIDA; NEVADA AB This study focused oil the development of a seasonal data set of the Hg air/surface exchange over soils associated with low Hg containing surfaces in a deciduous forest in the southern USA. Data were collected every month for I I months in 2004 within Standing Stone State Forest in Tennessee using the dynamic flux chamber method. Mercury air/surface exchange associated with the litter covered forest floor was very low with the annual mean daytime flux being 0.4 +/- 0.5 ng m(-2) h(-1) (n = 30 1). The daytime Hg air/surface exchange over the year oscillated between emission (81% of samples with positive flux) and deposition (19%, of samples with negative flux). A seasonal trend of lower emission in the spring and summer (closed canopy) relative to the fall and winter (open canopy) was observed. Correlations were found between the air/surface exchange and certain environmental factors on specific days sampled but not collectively over the entire year. The very low magnitude of Hg air/surface exchange as observed in this study suggests that an improved methodology for determining and reporting emission fluxes is needed when the values of fluxes and chamber blanks are both very low and comparable. This study raises questions and points to a need for more research regarding how to scale the Hg air/surface exchange for surfaces with very low emissions. (c) 2008 Elsevier Ltd. All rights reserved. C1 [Kuiken, Todd; Zhang, Hong] Tennessee Technol Univ, Ctr Management Utilizat & Protect Water Resources, Cookeville, TN 38505 USA. [Kuiken, Todd; Zhang, Hong] Tennessee Technol Univ, Dept Chem, Cookeville, TN 38505 USA. [Gustin, Mae] Univ Nevada, Dept Nat Resources & Environm Sci, Reno, NV 89557 USA. [Lindberg, Steve] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Lindberg, Steve] Univ Tennessee, Knoxville, TN 37996 USA. [Lindberg, Steve] Univ Michigan, Ann Arbor, MI 48109 USA. RP Kuiken, T (reprint author), Woodrow Wilson Int Ctr Scholars, 1 Woodrow Wilson Plaza,1300 Penn Ave NW, Washington, DC 20004 USA. EM todd.kuiken@wilsoncenter.org RI Kuiken, Todd/A-3784-2016 OI Kuiken, Todd/0000-0001-7851-6232 NR 29 TC 31 Z9 37 U1 2 U2 12 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 MAR PY 2008 VL 23 IS 3 BP 345 EP 355 DI 10.1016/j.apgeocliem.2007.12.006 PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 289ID UT WOS:000255047300002 ER PT J AU Kuiken, T Gustin, M Zhang, H Lindberg, S Sedinger, B AF Kuiken, Todd Gustin, Mae Zhang, Hong Lindberg, Steve Sedinger, Ben TI Mercury emission from terrestrial background surfaces in the eastern USA. II: Air/surface exchange of mercury within forests from South Carolina to New England SO APPLIED GEOCHEMISTRY LA English DT Article; Proceedings Paper CT 8th International Conference on Mercury as a Global Pollutant CY AUG 06-11, 2006 CL Madison, WI SP Univ Wisconsin Madison, US Geol Survey, Univ Wisconsin La Crosse ID ELEMENTAL MERCURY; SOIL; AIR; ATMOSPHERE; FLUXES; NEVADA; WATER AB Mercury air/surface exchange was measured over litter-covered soils with low Hg concentrations within various types of forests along the eastern seaboard of the USA. The fieldwork was conducted at six forested sites in state parks in South Carolina, North Carolina, New Jersey, Pennsylvania, New York and Maine from mid-May to early June 2005. The study showed that the Hg air/surface exchange was consistently very low and similar (overall daytime mean flux = 0.2 +/- 0.9 ng m(-2) h(-1), n = 310, for all six sites monitored) with the various forest types. These flux values are comparable with those found in a year-long study in Tennessee (yearly daytime mean = 0.4 +/- 0.5 ng m(-2) h(-1)), but lower than many previous flux results reported for background soils. The Hg fluxes at all sites oscillated around zero, with many episodes of deposition (negative fluxes) occurring in both daytime and nighttime. While there were particular days showing significant correlations among the Hg air/surface exchange and certain environmental parameters, perhaps because of the low fluxes encountered, few significant correlations were found for any particular day of sampling between the Hg flux and environmental parameters such as solar radiation, soil temperature, air temperature (little variability seen), relative humidity, and ambient air Hg concentrations. Factors driving the Hg exchange as previously found for enriched soils may not hold for these background litter-covered forest soils. The results suggest that spatial variations of the Hg air/surface exchange were small among these different forest types for this particular time of year. (c) 2008 Elsevier Ltd. All rights reserved. C1 [Kuiken, Todd; Zhang, Hong] Tennessee Technol Univ, Ctr Management Utilizat & Protect Water Resources, Cookeville, TN 38505 USA. [Kuiken, Todd; Zhang, Hong] Tennessee Technol Univ, Dept Chem, Cookeville, TN 38505 USA. [Gustin, Mae; Lindberg, Steve; Sedinger, Ben] Univ Nevada, Dept Nat Resources & Environm Sci, Reno, NV 89557 USA. [Lindberg, Steve] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Lindberg, Steve] Univ Tennessee, Knoxville, TN 37996 USA. [Lindberg, Steve] Univ Michigan, Ann Arbor, MI 48109 USA. RP Kuiken, T (reprint author), Woodrow Wilson Int Ctr Scholars, Project Emerging Nanotechnol, 1 Woodrow Wilson Plaza,1300 Penn Ave NW, Washington, DC 20004 USA. EM todd.kuiken@wilsoncenter.org RI Kuiken, Todd/A-3784-2016 OI Kuiken, Todd/0000-0001-7851-6232 NR 17 TC 27 Z9 29 U1 1 U2 12 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 MAR PY 2008 VL 23 IS 3 BP 356 EP 368 DI 10.1016/j.apgeochem.2007.12.007 PG 13 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 289ID UT WOS:000255047300003 ER PT J AU Sanders, RD Coale, KH Gill, GA Andrews, AH Stephenson, M AF Sanders, Rhea D. Coale, Kenneth H. Gill, Gary A. Andrews, Allen H. Stephenson, Mark TI Recent increase in atmospheric deposition of mercury to California aquatic systems inferred from a 300-year geochronological assessment of lake sediments SO APPLIED GEOCHEMISTRY LA English DT Article; Proceedings Paper CT 8th International Conference on Mercury as a Global Pollutant CY AUG 06-11, 2006 CL Madison, WI SP Univ Wisconsin Madison, US Geol Survey, Univ Wisconsin La Crosse ID TRENDS; ACCUMULATION; BAY; SPECIATION; CANADA; FLUXES; LEAD AB Age-dated sediment cores from 4 remote lakes across California were analyzed for total Hg (Hg-T) concentration as a function of pre- and post-industrialization. Particle size, magnetic susceptibility and organic C and N, were measured to determine if the Hg concentration in sediment cores could be related to atmospheric deposition and/or watershed processes. Results indicate that (a) for each lake modern (1970-2004) Hg-T lake sediment concentrations have increased by an average factor of 5 times more than historic (pre-1850) Hg-T Concentrations; (b) the ratio of modern to pre-industrial lake sediment Hg-T for these lakes are higher than estimated for other locations where atmospheric deposition is presumed to be the main source of Hg; (c) 2 of the 4 studied lakes demonstrated significant relationships between Hg-T concentrations and percentage organic material (r(2) = 0.68 and p < 0.0 1; r(2) = 0.67 and p < 0.01) whereas the other two indicated no significant relationship (r(2) = 0.05 and p = 0.5 1; r(2) = 0. 12 and p = 0.36). (c) 2007 Elsevier Ltd. All rights reserved. C1 [Sanders, Rhea D.; Coale, Kenneth H.; Andrews, Allen H.; Stephenson, Mark] Calif State Univ, Moss Landing Marine Labs, Moss Landing, CA 95039 USA. [Gill, Gary A.] Battelle Marine Sci Lab, Sequim, WA 98382 USA. RP Sanders, RD (reprint author), Calif State Univ, Moss Landing Marine Labs, 8272 Moss Landing, Moss Landing, CA 95039 USA. EM rsanders@coas.oregonstate.edu RI Andrews, Allen/G-3686-2016 OI Andrews, Allen/0000-0002-9001-8305 NR 34 TC 16 Z9 17 U1 0 U2 5 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 MAR PY 2008 VL 23 IS 3 BP 399 EP 407 DI 10.1016/j.,tpgeochem2007.12.021 PG 9 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 289ID UT WOS:000255047300006 ER PT J AU Abbott, ML Lin, CJ Martian, P Einerson, JJ AF Abbott, Michael L. Lin, Che-Jen Martian, Peter Einerson, Jeffrey J. TI Atmospheric mercury near salmon falls creek reservoir in southern Idaho SO APPLIED GEOCHEMISTRY LA English DT Article; Proceedings Paper CT 8th International Conference on Mercury as a Global Pollutant CY AUG 06-11, 2006 CL Madison, WI SP Univ Wisconsin Madison, US Geol Survey, Univ Wisconsin La Crosse ID GASEOUS DRY DEPOSITION; SCIENTIFIC UNCERTAINTIES; NATIONAL-PARK; LAKE-MICHIGAN; MASS-BALANCE; MODELS; PARAMETERIZATION; EMISSIONS; NEVADA; BAY AB Gaseous elemental mercury (GEM) and reactive gaseous mercury (RGM) were measured over 2-week seasonal field campaigns near Salmon Falls Creek Reservoir in south-central Idaho from the summer of 2005 through the fall of 2006 and over the entire summer of 2006 using automated Tekran Hg analyzers. GEM, RGM, and particulate Hg (HgP) were also measured at a secondary site 90 km to the west in southwestern Idaho during the summer of 2006. The study was performed to characterize Hg air concentrations in the southern Idaho area for the first time, estimate Hg dry deposition rates, and investigate the source of observed elevated concentrations. High seasonal variability was observed with the highest GEM (1.91 +/- 0.9 ng m(-3)) and RGM (8.1 5.6 Pg m(-3)) concentrations occurring in the summer and lower values in the winter (1.32 +/- 0.3 ng m(-3), 3.2 +/- 2.9 Pg m(-3) for GEM, RGM, respectively). The summer-average HgP concentrations were generally below detection limit (0.6 +/- 1 pg m(-3)). Seasonally averaged deposition velocities calculated using a resistance model were 0.034 +/- 0.032, 0.043 +/- 0.040, 0.00084 +/- 0.0017 and 0.00036 +/- 0.0011 cms(-1) for GEM (spring, summer, fall and winter, respectively) and 0.50 +/- 0.39, 0.40 +/- 0.31, 0.51 +/- 0.43 and 0.76 +/- 0.57 cm s(-1) for RGM. The total annual RGM + GEM dry deposition estimate was calculated to be 11.9 +/- 3.3 mu g m(-3), or about 2/ 3 of the total (wet + dry) deposition estimate for the area. Periodic elevated short-term GEM (2.2-12 ng m(-3)) and RGM (50-150 Pg m(-3)) events were observed primarily during the warm seasons. Back-trajectory modeling and PSCF analysis indicate predominant source directions to the SE (western Utah, northeastern Nevada) and SW (north-central Nevada) with fewer inputs from the NW (southeastern Oregon and southwestern Idaho). Published by Elsevier Ltd. C1 [Abbott, Michael L.; Martian, Peter; Einerson, Jeffrey J.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Lin, Che-Jen] Lamar Univ, Dept Civil Engn, Beaumont, TX 77710 USA. RP Abbott, ML (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM michael.abbott@inl.gov RI Lin, Che-Jen/K-1808-2013 OI Lin, Che-Jen/0000-0001-5990-3093 NR 48 TC 17 Z9 17 U1 1 U2 7 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 MAR PY 2008 VL 23 IS 3 BP 438 EP 453 DI 10.1016/j.apgeochem.2007.12.012 PG 16 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 289ID UT WOS:000255047300009 ER PT J AU Purdy, TP Stamper-Kurn, DM AF Purdy, T. P. Stamper-Kurn, D. M. TI Integrating cavity quantum electrodynamics and ultracold-atom chips with on-chip dielectric mirrors and temperature stabilization SO APPLIED PHYSICS B-LASERS AND OPTICS LA English DT Article ID SINGLE ATOMS; TRAPS AB We have fabricated an atom chip device which combines the circuitry for magnetic trapping of cold atoms with high-finesse optical resonators suitable for cavity QED in the single-atom strong coupling regime. Fabry-Perot optical resonators with finesse F >= 2 x 10(5) were formed between a micropatterned on-chip planar mirror with lateral dimension of <= 100 mu m and a curved mirror suspended above the chip. The strong and rapid thermal coupling between on-chip electrical and optical elements was utilized to stabilize the cavity mirror separation with servo bandwidth exceeding 100 kHz during simulated operation of the atom chip. C1 [Purdy, T. P.; Stamper-Kurn, D. M.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Stamper-Kurn, D. M.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Purdy, TP (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM tpp@berkeley.edu RI Stamper-Kurn, Dan/B-5442-2015 OI Stamper-Kurn, Dan/0000-0002-4845-5835 NR 22 TC 14 Z9 14 U1 1 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0946-2171 J9 APPL PHYS B-LASERS O JI Appl. Phys. B-Lasers Opt. PD MAR PY 2008 VL 90 IS 3-4 BP 401 EP 405 DI 10.1007/s00340-007-2879-0 PG 5 WC Optics; Physics, Applied SC Optics; Physics GA 268IS UT WOS:000253574100008 ER PT J AU Jarman, KD Runkle, RC Anderson, KK Pfund, DM AF Jarman, Kenneth D. Runkle, Robert C. Anderson, Kevin K. Pfund, David M. TI A comparison of simple algorithms for gamma-ray spectrometers in radioactive source search applications SO APPLIED RADIATION AND ISOTOPES LA English DT Article DE nuclear measurements and monitoring techniques; homeland security; radioactive source search; gamma-ray spectral analysis; gamma-ray spectrometry ID RADIATION PORTAL MONITORS; POINT-SOURCE DETECTION AB Large variation in ambient gamma-ray backgrounds challenges the search for radiation sources. Raising detection thresholds is a common response, but one that comes at the price of reduced detection sensitivity. In response to this challenge, we explore several tripwire detection algorithms for gamma-ray spectrometers. We assess their ability to mitigate background variation and find that the best-performing algorithms focus on the spectral shape over several energy bins using spectral comparison ratios and dynamically predict background with the Kalman Filter. (c) 2007 Elsevier Ltd. All rights reserved. C1 [Jarman, Kenneth D.; Runkle, Robert C.; Anderson, Kevin K.; Pfund, David M.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Jarman, KD (reprint author), Pacific NW Natl Lab, POB 999,MS K6-08, Richland, WA 99352 USA. EM kj@pni.gov RI Jarman, Kenneth/B-6157-2011; OI Jarman, Kenneth/0000-0002-4396-9212; Anderson, Kevin/0000-0001-5613-5893 NR 18 TC 22 Z9 22 U1 0 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0969-8043 J9 APPL RADIAT ISOTOPES JI Appl. Radiat. Isot. PD MAR PY 2008 VL 66 IS 3 BP 362 EP 371 DI 10.1016/j.apradiso.2007.09.010 PG 10 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 270SZ UT WOS:000253741800014 PM 17980610 ER PT J AU Pearman, WF Carter, JC Angel, SM Chan, JWJ AF Pearman, William F. Carter, J. Chance Angel, S. Michael Chan, James Wai-Jeung TI Multipass capillary cell for enhanced Raman measurements of gases SO APPLIED SPECTROSCOPY LA English DT Article DE Raman multipass cell; capillary cell; gas analysis; silver-coated glass capillary ID CORE OPTICAL-FIBER; GLASS WAVE-GUIDES; SPECTROSCOPY AB A simple Raman multipass capillary cell (MCC) is described that gives 12-to 30-fold signal enhancements for non-absorbing gases. The cell is made by coating the inside of 2-mm inner diameter silica capillary tubes with silver. The device is very small and suitable for remote and in situ Raman measurements with optical fibers. Application of the MCC is similar to previously described liquid core waveguides but, unlike the latter devices, the MCC is generally more applicable to a wide range of non-absorbing gases. C1 [Pearman, William F.; Angel, S. Michael] Univ S Carolina, Dept Chem & Biochem, Columbia, SC 29208 USA. [Carter, J. Chance; Chan, James Wai-Jeung] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Angel, SM (reprint author), Univ S Carolina, Dept Chem & Biochem, 631 Sumter St, Columbia, SC 29208 USA. EM angel@mail.chem.sc.edu OI Angel, Stanley/0000-0002-0328-0568 NR 17 TC 11 Z9 11 U1 2 U2 25 PU SOC APPLIED SPECTROSCOPY PI FREDERICK PA 201B BROADWAY ST, FREDERICK, MD 21701 USA SN 0003-7028 J9 APPL SPECTROSC JI Appl. Spectrosc. PD MAR PY 2008 VL 62 IS 3 BP 285 EP 289 DI 10.1366/000370208783759650 PG 5 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA 272XT UT WOS:000253895700005 PM 18339235 ER PT J AU Christmann, A Steinwart, I AF Christmann, Andreas Steinwart, Ingo TI Consistency of kernel-based quantile regression SO APPLIED STOCHASTIC MODELS IN BUSINESS AND INDUSTRY LA English DT Article DE consistency; convex risk minimization; empirical risk minimization; kernel; non-parametric; quantile regression AB Quantile regression is used in many areas of applied research and business. Examples are actuarial, financial or biometrical applications. We show that a non-parametric generalization of quantile regression based on kernels shares with support vector machines the property of consistency to the Bayes risk. We further use this consistency to prove that the non-parametric generalization approximates the conditional quantile function which gives the mathematical justification for kernel-based quantile regression. Copyright (C) 2008 John Wiley & Sons, Ltd. C1 [Christmann, Andreas] Vrije Univ Brussels, Dept Math, B-1050 Brussels, Belgium. [Steinwart, Ingo] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Christmann, A (reprint author), Vrije Univ Brussels, Dept Math, Pleinlaan 2, B-1050 Brussels, Belgium. EM andreas.christmann@vub.ac.be OI Steinwart, Ingo/0000-0002-4436-7109 NR 19 TC 15 Z9 15 U1 2 U2 4 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 1524-1904 J9 APPL STOCH MODEL BUS JI Appl. Stoch. Models. Bus. Ind. PD MAR-APR PY 2008 VL 24 IS 2 BP 171 EP 183 DI 10.1002/asmb.700 PG 13 WC Operations Research & Management Science; Mathematics, Interdisciplinary Applications; Statistics & Probability SC Operations Research & Management Science; Mathematics GA 294ZK UT WOS:000255444600005 ER PT J AU Knutson, C Benko, G Rocheleau, T Mouffouk, F Maselko, J Chen, L Shreve, AP Rasmussen, S AF Knutson, Chad Benko, Gil Rocheleau, Tristan Mouffouk, Fouzi Maselko, Jerzy Chen, Liaohai Shreve, Andrew P. Rasmussen, Steen TI Metabolic photofragmentation kinetics for a minimal protocell: Rate-limiting factors, efficiency, and implications for evolution SO ARTIFICIAL LIFE LA English DT Article DE metabolism; photofragmentation; kinetics; gene selection; protocell ID PHOTOINDUCED ELECTRON-TRANSFER; LIVING MATTER; DNA; FRAGMENTATION; DISTANCE; ESTERS; DYNAMICS; ACCEPTOR; GUANINE; CATION AB A key requirement of an autonomous self-replicating molecular machine, a protocell, is the ability to digest resources and turn them into budding blocks. Thus a protocell needs a set of metabolic processes fueled by external free energy in the form of available chemical redox potential or light. We introduce and investigate a minimal photodriven metabolic system, which is based on photo fragmentation of resource molecules catalyzed by genetic molecules. We represent and analyze the full metabolic set of reaction-kinetic equations and, through a set of approximations, simplify the reaction kinetics so that analytical expressions can be obtained for the building block production. The analytical approximations are compared with the full equation set and with corresponding experimental results to the extent they are available. It should be noted, however, that the proposed metabolic system has not been experimental T implemented, so this investigation is conducted to obtain a deeper understanding of its dynamics and perhaps to anticipate its limitations. We demonstrate that this type of minimal photodriven metabolic scheme is typically rate-limited by the front-end photoexcitation process, while its yield is determined by the genetic catalysis. We further predict that gene-catalyzed metabolic reactions can undergo evolutionary selection only for certain combinations of the involved reaction rates due to their intricate interactions. We finally discuss how the expected range of metabolic rates likely affects other key protocellular processes such as container growth and division as well as gene replication. C1 [Rasmussen, Steen] Univ So Denmark, Ctr Fundamental Living Technol FLinT, Dept Chem & Phys, DK-5230 Odense, Denmark. [Knutson, Chad; Shreve, Andrew P.; Rasmussen, Steen] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Benko, Gil] Univ Leipzig, Graduiertenkolleg Wissensreprasentat, Leipzig, Germany. [Rocheleau, Tristan] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Mouffouk, Fouzi; Chen, Liaohai] Argonne Natl Lab, Argonne, IL 60439 USA. [Mouffouk, Fouzi; Chen, Liaohai] Rush Univ, Chicago, IL 60612 USA. [Maselko, Jerzy] Univ Alaska, Anchorage, AK 99508 USA. [Rasmussen, Steen] Santa Fe Inst, Santa Fe, NM 87501 USA. [Rasmussen, Steen] Univ Copenhagen, DK-2200 Copenhagen, Denmark. RP Rasmussen, S (reprint author), Univ So Denmark, Ctr Fundamental Living Technol FLinT, Dept Chem & Phys, DK-5230 Odense, Denmark. EM knutson@lanl.gov; gil@bioinf.uni-lelpzig.de; tristanr@lanl.gov; Fouzi_Mouffouk@rush.edu; afjml@uaa.alaska.edu; shreve@lanl.gov; steen@ifksdu.dk NR 28 TC 4 Z9 4 U1 0 U2 1 PU M I T PRESS PI CAMBRIDGE PA 238 MAIN STREET, STE 500, CAMBRIDGE, MA 02142-1046 USA SN 1064-5462 J9 ARTIF LIFE JI Artif. Life PD SPR PY 2008 VL 14 IS 2 BP 189 EP 201 DI 10.1162/artl.2008.14.2.189 PG 13 WC Computer Science, Artificial Intelligence; Computer Science, Theory & Methods SC Computer Science GA 281GV UT WOS:000254485800003 PM 18331190 ER PT J AU Roth, K Westphalen, D Brodrick, J AF Roth, Kurt Westphalen, Detlef Brodrick, James TI Ongoing commissioning SO ASHRAE JOURNAL LA English DT Article C1 [Roth, Kurt; Westphalen, Detlef] TIAX, HVAC & Refrigerat Technol Sector, Cambridge, MA USA. [Brodrick, James] US DOE, Bldg Technol Program, Washington, DC USA. RP Roth, K (reprint author), TIAX, HVAC & Refrigerat Technol Sector, Cambridge, MA USA. NR 24 TC 2 Z9 2 U1 0 U2 4 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 MAR PY 2008 VL 50 IS 3 BP 66 EP + PG 4 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 274SO UT WOS:000254021500012 ER PT J AU Jiang, LH Fan, XH Annis, J Becker, RH White, RL Chiu, K Lin, H Lupton, RH Richards, GT Strauss, MA Jester, S Schneider, DP AF Jiang, Linhua Fan, Xiaohui Annis, James Becker, Robert H. White, Richard L. Chiu, Kuenley Lin, Huan Lupton, Robert H. Richards, Gordon T. Strauss, Michael A. Jester, Sebastian Schneider, Donald P. TI A survey of z similar to 6 quasars in the sloan digital sky survey deep stripe. I. A flux-limited sample at z(AB)< 21 SO ASTRONOMICAL JOURNAL LA English DT Article DE galaxies : active; quasars : emission lines; quasars : general ID HIGH-REDSHIFT QUASARS; BLACK-HOLE MASSES; WIDE-FIELD SURVEY; LUMINOSITY FUNCTION; Z-GREATER-THAN-5.7 QUASARS; ADDITIONAL QUASARS; STELLAR OBJECTS; DATA RELEASE; REIONIZATION EPOCH; GALAXY MERGERS AB We present the discovery of five quasars at z similar to 6 selected from 260 deg(2) of the Sloan Digital Sky Survey (SDSS) southern survey, a deep imaging survey obtained by repeatedly scanning a stripe along the celestial equator. The five quasars with 20 < z(AB) < 21 are 1-2 magnitudes fainter than the luminous z similar to 6 quasars discovered in the SDSS main survey. One of them was independently discovered by the UKIRT Infrared Deep Sky Survey. These quasars, combined with another z similar to 6 quasar known in this region, make a complete flux-limited quasar sample at z(AB) < 21. The sample spans the redshift range 5.85 <= z <= 6.12 and the luminosity range -26.5 <= M-1450 <= -25.4 (H-0 = 70 km s(-1) Mpc(-1), Omega(m) = 0.3, and Omega(Lambda) = 0.7). We use the 1/V-a method to determine that the comoving quasar spatial density at < z > = 6.0 and < M-1450 > = -25.8 is (5.0 +/- 2.1) x 10(-9) Mpc(-3) mag(-1). We model the bright-end quasar luminosity function (QLF) at z similar to 6 as a power law Phi(L-1450) proportional to L-1450(beta). The slope beta calculated from a combination of our sample and the luminous SDSS quasar sample is -3.1 +/- 0.4, significantly steeper than the slope of the QLF at z similar to 4. Based on the derived QLF, we find that the quasar/active galactic nucleus (AGN) population cannot provide enough photons to ionize the intergalactic medium (IGM) at z similar to 6 unless the IGM is very homogeneous and the luminosity (L-1450(*)) at which the QLF power law breaks is very low. C1 [Jiang, Linhua; Fan, Xiaohui] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. [Annis, James; Lin, Huan] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Becker, Robert H.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Becker, Robert H.] Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. [White, Richard L.] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Chiu, Kuenley] Univ Exeter, Sch Phys, Exeter EX4 4QL, Devon, England. [Lupton, Robert H.; Strauss, Michael A.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Richards, Gordon T.] Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA. [Jester, Sebastian] Max Planck Inst Astron, D-69117 Heidelberg, Germany. [Schneider, Donald P.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. RP Jiang, LH (reprint author), Univ Arizona, Steward Observ, 933 N Cherry Ave, Tucson, AZ 85721 USA. RI White, Richard/A-8143-2012; Jiang, Linhua/H-5485-2016 OI Jiang, Linhua/0000-0003-4176-6486 NR 84 TC 90 Z9 91 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0004-6256 J9 ASTRON J JI Astron. J. PD MAR PY 2008 VL 135 IS 3 BP 1057 EP 1066 DI 10.1088/0004-6256/135/3/1057 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 271WF UT WOS:000253818700026 ER PT J AU White, RR Allan, A AF White, R. R. Allan, A. TI An overview of the heterogeneous telescope network system: Concept, scalability and operation SO ASTRONOMISCHE NACHRICHTEN LA English DT Article; Proceedings Paper CT Workshop on Hot-Wiring the Transient Universe CY JUN 04-07, 2007 CL Tucson, AZ SP VOEvent Working Grp, Heterogeneous Telescope Networks DE astronomical databases : miscellaneous; methods : observational; methods : miscellaneous; standards; telescopes ID THINKING TELESCOPES; ASTRONOMY; TIME; SKY AB In the coming decade there will be an avalanche of data streams devoted to astronomical exploration opening new windows of scientific discovery. The shear volume of data and the diversity of event types (Kantor 2006; Kaiser 2004; Vestrand & Theiler & Wozniak 2004) will necessitate; the move to a common language for the communication of event data, and enabling telescope systems with the ability to not just simply respond, but to act independently in order to take full advantage of available resources in a timely manner. Developed over the past three years, the Virtual Observatory Event (VOEvent) provides the best format for carrying these diverse event messages (White et al. 2006a; Seaman & Warner 2006). However, in order for the telescopes to be able to act independently, a system of interoperable network nodes must be in place, that will allow the astronomical assets to not only issue event notifications, but to coordinate and request specific observations. The Heterogeneous Telescope Network (HTN) is a network architecture that can achieve the goals set forth and provide a scalable design to match both fully autonomous and manual telescope system needs (Allan et al. 2006a; White et al. 2006b; Hessman 2006b). In this paper we will show the design concept of this meta-network and nodes, their scalable architecture and complexity, and how this concept can meet the needs of institutions in the near future. (K) 2008 WILEY-VCH Verlag GmbH & Co. KGaA. Weinheim. C1 [White, R. R.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Allan, A.] Univ Exeter, Sch Phys, Exeter EX4 4QL, Devon, England. RP White, RR (reprint author), Los Alamos Natl Lab, POB 1663,ISR 1 MS B244, Los Alamos, NM 87544 USA. EM rwhite@lanl.gov NR 24 TC 4 Z9 4 U1 0 U2 2 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0004-6337 J9 ASTRON NACHR JI Astro. Nachr. PD MAR PY 2008 VL 329 IS 3 BP 232 EP 236 DI 10.1002/asna.200710958 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 282CW UT WOS:000254546200002 ER PT J AU White, RR Davis, H Vestrand, WT Wozniak, PR AF White, R. R. Davis, H. Vestrand, W. T. Wozniak, P. R. TI Distributed intelligence in an astronomical Distributed Sensor Network SO ASTRONOMISCHE NACHRICHTEN LA English DT Article; Proceedings Paper CT Workshop on Hot-Wiring the Transient Universe CY JUN 04-07, 2007 CL Tucson, AZ SP VOEvent Working Grp, Heterogeneous Telescope Networks DE astronomical databases : miscellaneous; methods : observational; methods : miscellaneous; telescopes AB The Telescope Alert Operations Network System (TALONS) was designed and developed in the year 2000, around the architectural principles of a distributed sensor network. This network supported the original Rapid Telescopes for Optical Response (RAPTOR) project goals; however, only with further development could TALONS meet the goals of the larger Thinking Telescope Project. The complex objectives of the Thinking Telescope project required a paradigm shift in the software architecture - the centralised intelligence merged into the TALONS network operations could no longer meet all of the new requirements. The intelligence needed to be divorced from the network operations and developed as a series of peripheral intelligent agents, distributing the decision making and analytical processes based on the temporal volatility of the data. This paper is presented as only one part of the poster from the workshop and in it we will explore the details of this architecture and how that merges with the current Thinking Telescope system to meet our project goals. (C) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. C1 [White, R. R.; Davis, H.; Vestrand, W. T.; Wozniak, P. R.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP White, RR (reprint author), Los Alamos Natl Lab, POB 1663,ISR 1 MS B244, Los Alamos, NM 87544 USA. EM rwhite@lanl.gov OI Wozniak, Przemyslaw/0000-0002-9919-3310 NR 5 TC 0 Z9 0 U1 0 U2 3 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0004-6337 J9 ASTRON NACHR JI Astro. Nachr. PD MAR PY 2008 VL 329 IS 3 BP 278 EP 279 DI 10.1002/asna.200710956 PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 282CW UT WOS:000254546200015 ER PT J AU Bloom, JS Starr, DL Butler, NR Nugent, P Rischard, M Eads, D Poznanski, D AF Bloom, J. S. Starr, D. L. Butler, N. R. Nugent, P. Rischard, M. Eads, D. Poznanski, D. TI Towards a real-time transient classification engine SO ASTRONOMISCHE NACHRICHTEN LA English DT Article; Proceedings Paper CT Workshop on Hot-Wiring the Transient Universe CY JUN 04-07, 2007 CL Tucson, AZ SP VOEvent Working Grp, Heterogeneous Telescope Networks DE methods : statistical; methods : data analysis; surveys ID OBJECT CLASSIFICATION; SUPERNOVA SURVEY; SKY; PHOTOMETRY AB Temporal sampling does more than add another axis to the vector of observables. instead, under the recognition that how objects change (and move) in time speaks directly to the physics underlying astronomical phenomena, next-generation wide-field synoptic surveys are poised to revolutionize our understanding of just about anything that goes bump in the night (which is just about everything at some level). Still, even the most ambitious surveys will require targeted spectroscopic follow-up to fill in the physical details of newly discovered transients. We are now building a new system intended to ingest and classify transient phenomena in near real-time from high-throughput imaging data streams. Described herein, the Transient Classification Project at Berkeley will be making use of classification techniques operating on "features" extracted from time series and contextual (static) information. We also highlight the need for a community adoption of a standard representation of astronomical time series data (ie. "VOTimeseries"). (C) 2008 WILEY-VCH Verlag GmbH & Co. KGaA. Weinheim. C1 [Bloom, J. S.; Starr, D. L.; Butler, N. R.; Nugent, P.; Rischard, M.; Poznanski, D.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94709 USA. [Starr, D. L.] Las Cumbres Global Telescope Network, Goleta, CA 93117 USA. [Nugent, P.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Eads, D.] Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA. RP Bloom, JS (reprint author), Univ Calif Berkeley, Dept Astron, Berkeley, CA 94709 USA. EM jbloom@astro.berkeley.edu NR 16 TC 12 Z9 12 U1 0 U2 1 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0004-6337 J9 ASTRON NACHR JI Astro. Nachr. PD MAR PY 2008 VL 329 IS 3 BP 284 EP 287 DI 10.1002/asna.200710957 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 282CW UT WOS:000254546200017 ER PT J AU Bailey, S Aragon, C Romano, R Thomas, RC Weaver, BA Wong, D AF Bailey, S. Aragon, C. Romano, R. Thomas, R. C. Weaver, B. A. Wong, D. TI Object classification at the Nearby Supernova Factory SO ASTRONOMISCHE NACHRICHTEN LA English DT Article; Proceedings Paper CT Workshop on Hot-Wiring the Transient Universe CY JUN 04-07, 2007 CL Tucson, AZ SP VOEvent Working Grp, Heterogeneous Telescope Networks DE methods : data analysis; methods : statistical; techniques : image processing AB We present the results of applying new object classification techniques to the supernova search of the Nearby Supernova Factory. In comparison to simple threshold cuts, more sophisticated methods such as boosted decision trees, random forests, and support vector machines provide dramatically better object discrimination: we reduced the number of nonsupernova candidates by a factor of 10 while increasing our supernova identification efficiency. Methods such as these will be crucial for maintaining a reasonable false positive rate in the automated transient alert pipelines of upcoming large optical surveys. (C) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. C1 [Bailey, S.; Aragon, C.; Romano, R.; Thomas, R. C.; Weaver, B. A.; Wong, D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Romano, R.] Natl Energy Res Sci Comp Ctr, Berkeley, CA 94720 USA. [Weaver, B. A.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. RP Bailey, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM sjbailey@lbl.gov NR 8 TC 2 Z9 2 U1 0 U2 2 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0004-6337 J9 ASTRON NACHR JI Astro. Nachr. PD MAR PY 2008 VL 329 IS 3 BP 292 EP 294 DI 10.1002/asna.200710932 PG 3 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 282CW UT WOS:000254546200019 ER PT J AU Simon, P Watts, P Schneider, P Hoekstra, H Gladders, MD Yee, HKC Hsieh, BC Lin, H AF Simon, P. Watts, P. Schneider, P. Hoekstra, H. Gladders, M. D. Yee, H. K. C. Hsieh, B. C. Lin, H. TI First detection of galaxy-galaxy-galaxy lensing in RCS - A new tool for studying the matter environment of galaxy pairs SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE galaxies : halos; cosmology : large-scale structure of Universe; cosmology : dark matter; cosmology : observations ID SEQUENCE CLUSTER SURVEY; LARGE-SCALE STRUCTURE; 3-POINT CORRELATION-FUNCTION; DIGITAL SKY SURVEY; BONN DEEP SURVEY; COSMIC SHEAR; DARK-MATTER; COSMOLOGICAL PARAMETERS; SURVEY FIELDS; WEAK AB Context. The weak gravitational lensing effect, small coherent distortions of galaxy images by means of a gravitational tidal field, can be used to study the relation between the matter and galaxy distribution. Aims. In this context, weak lensing has so far only been used for considering a second-order correlation function that relates the matter density and galaxy number density as a function of separation. We implement two new, third-order correlation functions that have recently been suggested in the literature, and apply them to the Red-Sequence Cluster Survey. As a step towards exploiting these new correlators in the future, we demonstrate that it is possible, even with already existing data, to make significant measurements of third-order lensing correlations. Methods. We develop an optimised computer code for the correlation functions. To test its reliability a set of tests involving mock shear catalogues are performed. The correlation functions are transformed to aperture statistics, which allow easy tests for remaining systematics in the data. In order to further verify the robustness of our measurement, the signal is shown to vanish when randomising the source ellipticities. Finally, the lensing signal is compared to crude predictions based on the halo-model. Results. On angular scales between similar to 1' and similar to 11' a significant third-order correlation between two lens positions and one source ellipticity is found. We discuss this correlation function as a novel tool to study the average matter environment of pairs of galaxies. Correlating two source ellipticities and one lens position yields a less significant but nevertheless detectable signal on a scale of similar to 4'. Both signals lie roughly within the range expected by theory which supports their cosmological origin. C1 [Simon, P.] Univ Edinburgh, SUPA,Inst Astron, Sch Phys, Royal Observ, Edinburgh EH9 3HJ, Midlothian, Scotland. [Simon, P.; Watts, P.; Schneider, P.] Univ Bonn, Argelander Inst Astron, D-53121 Bonn, Germany. [Hoekstra, H.] Univ Victoria, Dept Phys & Astron, Victoria, BC V8P 5C2, Canada. [Gladders, M. D.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Yee, H. K. C.] Univ Toronto, Dept Astron & Astrophys, Toronto, ON M5S 3H8, Canada. [Hsieh, B. C.] Acad Sinica, Inst Astron & Astrophys, Taipei 106, Taiwan. [Lin, H.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Simon, P (reprint author), Univ Edinburgh, SUPA,Inst Astron, Sch Phys, Royal Observ, Blackford Hill, Edinburgh EH9 3HJ, Midlothian, Scotland. EM psimon@roe.ac.uk OI Hoekstra, Henk/0000-0002-0641-3231 NR 54 TC 6 Z9 6 U1 0 U2 0 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD MAR PY 2008 VL 479 IS 3 BP 655 EP 667 DI 10.1051/0004-6361:20078197 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 266RL UT WOS:000253454600006 ER PT J AU Besson, DZ Jenkins, J Matsuno, S Nam, J Smith, M Barwick, SW Beatty, JJ Binns, WR Chen, C Chen, P Clem, JM Connolly, A Dowkontt, PF DuVernois, MA Field, RC Goldstein, D Gorham, PW Goodhue, A Hast, C Hebert, CL Hoover, S Israel, MH Kowalski, J Learned, JG Liewer, KM Link, JT Lusczek, E Mercurio, B Miki, C Miocinovic, P Naudet, CJ Ng, J Nichol, R Palladino, K Reil, K Romero-Wolf, A Rosen, M Ruckman, L Saltzberg, D Seckel, D Varner, GS Walz, D Wu, F AF Besson, D. Z. Jenkins, J. Matsuno, S. Nam, J. Smith, M. Barwick, S. W. Beatty, J. J. Binns, W. R. Chen, C. Chen, P. Clem, J. M. Connolly, A. Dowkontt, P. F. DuVernois, M. A. Field, R. C. Goldstein, D. Gorham, P. W. Goodhue, A. Hast, C. Hebert, C. L. Hoover, S. Israel, M. H. Kowalski, J. Learned, J. G. Liewer, K. M. Link, J. T. Lusczek, E. Mercurio, B. Miki, C. Miocinovic, P. Naudet, C. J. Ng, J. Nichol, R. Palladino, K. Reil, K. Romero-Wolf, A. Rosen, M. Ruckman, L. Saltzberg, D. Seckel, D. Varner, G. S. Walz, D. Wu, F. TI In situ radioglaciological measurements near Taylor Dome, Antarctica and implications for ultra-high energy (UHE) neutrino astronomy SO ASTROPARTICLE PHYSICS LA English DT Article DE ultra-high energy neutrino detection; radioglaciology; askaryan effect ID ICE SHEETS AB Radiowave detection of the Cherenkov radiation produced by neutrino-ice collisions requires an understanding of the radiofrequency (RF) response of cold polar ice. We herein report on a series of radioglaciological measurements performed approximately 10 km north of Taylor Dome Station, Antarctica from December 6, 2006-December 16, 2006. Using RF signals broadcast from: (a) an englacial discone, submerged to a depth of 100 m and broadcasting to a surface dual-polarization horn receiver, and (b) a dual-polarization horn antenna on the surface transmitting signals which reflect off the underlying bed and back up to the surface receiver, we have made time-domain estimates of both the real (index-of-refraction "n") and imaginary (attenuation length "L-atten") components of the complex ice dielectric constant. We have also measured the uniformity of ice response along two orthogonal axes in the horizontal plane. We observe an apparent wavespeed asymmetry of order 0.1% between two orthogonal linear polarizations projected into the horizontal plane, consistent with some previous measurements, but somewhat lower than others. (C) 2008 Elsevier B.V. All rights reserved. C1 [Besson, D. Z.; Link, J. T.] Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. [Matsuno, S.; Gorham, P. W.; Hebert, C. L.; Kowalski, J.; Learned, J. G.; Miki, C.; Miocinovic, P.; Romero-Wolf, A.; Rosen, M.; Ruckman, L.; Varner, G. S.] Univ Hawaii Manoa, Dept Phys & Astron, Honolulu, HI 96822 USA. [Nam, J.; Barwick, S. W.; Goldstein, D.; Wu, F.] Univ Calif Irvine, Irvine, CA 92697 USA. [Beatty, J. J.; Mercurio, B.; Nichol, R.; Palladino, K.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Binns, W. R.; Dowkontt, P. F.; Israel, M. H.] Washington Univ, Dept Phys, St Louis, MO 63130 USA. [Chen, C.; Chen, P.; Field, R. C.; Hast, C.; Ng, J.; Reil, K.; Walz, D.] Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. [Clem, J. M.; Seckel, D.] Univ Delaware, Newark, DE 19716 USA. [Connolly, A.; Goodhue, A.; Hoover, S.; Saltzberg, D.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Lusczek, E.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [DuVernois, M. A.; Liewer, K. M.; Naudet, C. J.] Jet Propuls Lab, Pasadena, CA 91109 USA. RP Besson, DZ (reprint author), Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. EM dbesson@ku.edu RI Nichol, Ryan/C-1645-2008; Vieregg, Abigail/D-2287-2012; Connolly, Amy/J-3958-2013; Beatty, James/D-9310-2011; OI Beatty, James/0000-0003-0481-4952; Lusczek, Elizabeth/0000-0003-4680-965X NR 29 TC 12 Z9 12 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-6505 J9 ASTROPART PHYS JI Astropart Phys. PD MAR PY 2008 VL 29 IS 2 BP 130 EP 157 DI 10.1016/j.astropartphys.2007.12.004 PG 28 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 280UO UT WOS:000254452100006 ER PT J AU Sikora, M Moderski, R Madejski, GM AF Sikora, Marek Moderski, Rafax Madejski, Greg M. TI 3C 454.3 reveals the structure and physics of its "blazar zone" SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies : jets; gamma rays : theory; quasars : general; radiation mechanisms : nonthermal; X-rays : general ID EXTRAGALACTIC RADIO-SOURCES; ACTIVE GALACTIC NUCLEI; GAMMA-RAY-BLAZARS; INFRARED OBSERVATIONS; NONTHERMAL FLARES; LOUD QUASARS; JETS; ENERGY; RADIATION; 3C-454.3 AB Recent multiwavelength observations of 3C 454.3, in particular during its giant outburst in 2005, put severe constraints on the location of the "blazar zone," its dissipative nature, and high-energy radiation mechanisms. As the optical, X-ray, and millimeter light curves indicate, a significant fraction of the jet energy must be released in the vicinity of the millimeter photosphere; i.e., at distances where, due to lateral expansion, the jet becomes transparent at millimeter wavelengths. We conclude that this region is located at similar to 10 pc, which is also the distance that coincides with the location of the hot dust region. This location is consistent with the high-amplitude variations observed on a similar to 10 day timescale, provided that the Lorentz factor of a jet is Gamma(j) similar to 20. We argue that dissipation is driven by the reconfinement shock and demonstrate that X-rays and gamma-rays are likely to be produced via inverse Compton scattering of near- and mid-IR photons emitted by the hot dust. We also infer that the largest gamma-to-synchrotron luminosity ratio ever recorded in this object, which took place during its lowest luminosity states, could be simply due to weaker magnetic fields carried by a less powerful jet. C1 [Sikora, Marek; Moderski, Rafax] Nicolaus Copernicus Astron Ctr, PL-00716 Warsaw, Poland. [Madejski, Greg M.] Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. [Madejski, Greg M.] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94309 USA. RP Sikora, M (reprint author), Nicolaus Copernicus Astron Ctr, Bartycka 18, PL-00716 Warsaw, Poland. EM sikora@camk.edu.pl NR 45 TC 59 Z9 60 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 MAR 1 PY 2008 VL 675 IS 1 BP 71 EP 78 DI 10.1086/526419 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 268EP UT WOS:000253562000006 ER PT J AU Poelarends, AJT Herwig, F Langer, N Heger, A AF Poelarends, A. J. T. Herwig, F. Langer, N. Heger, A. TI The supernova channel of super-AGB stars SO ASTROPHYSICAL JOURNAL LA English DT Article DE stars : AGB and post-AGB; stars : evolution; stars : neutron; supernovae : general ID ASYMPTOTIC GIANT BRANCH; INTERMEDIATE-MASS STARS; ELECTRON-DEGENERATE CORES; CIRCLE-DOT MODEL; 8-10 M. STARS; NE-MG CORES; STELLAR EVOLUTION; DREDGE-UP; PRESUPERNOVA EVOLUTION; COLLAPSE SUPERNOVAE AB We study the late evolution of solar metallicity stars in the transition region between white dwarf formation and core collapse. This includes the super-asymptotic giant branch (super-AGB, SAGB) stars, which ignite carbon burning and form an oxygen-neon (ONe) core. SAGB star cores may grow to the Chandrasekhar mass because of continued H-and He-shell burning, ending as core-collapse supernovae. From stellar evolution models we find that the initial mass range for SAGB evolution is 7.5-9.25 M-circle dot. We perform calculations with three different stellar evolution codes to judge the robustness of our results. The mass range significantly depends on the treatment of semiconvective mixing and convective overshooting. To consider the effect of a large number of thermal pulses, as expected in SAGB stars, we construct synthetic SAGB models that are calibrated through stellar evolution simulations. The synthetic model enables us to compute the evolution of the main properties of SAGB stars from the onset of thermal pulses until the core reaches the Chandrasekhar mass or is uncovered by the stellar wind. Thereby, we differentiate the stellar initial mass ranges that produce ONe WDs from that leading to electron-capture SNe. The latter is found to be 9.0-9.25 M-circle dot for our fiducial model, implying that electron-capture SNe would constitute about 4% of all SNe in the local universe. The error in this determination due to uncertainties in the third dredge-up efficiency and AGB mass-loss rate could lead to about a doubling of the number of electron-capture SNe, which provides a firm upper limit to their contribution to all supernovae of similar to 20%. C1 [Poelarends, A. J. T.; Langer, N.] Astron Inst, NL-3508 TA Utrecht, Netherlands. [Poelarends, A. J. T.; Herwig, F.; Heger, A.] Los Alamos Natl Lab, Theoret Astrophys Grp, Los Alamos, NM 87545 USA. [Herwig, F.] Keele Univ, Sch Phys & Geol Sci, Keele Astrophys Grp, Keele, Staffs, England. [Heger, A.] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Heger, A.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. RP Poelarends, AJT (reprint author), Astron Inst, NL-3508 TA Utrecht, Netherlands. EM a.j.t.poelarends@astro.uu.nl; fherwig@lanl.gov; n.langer@astro.uu.nl; aheger@lanl.gov NR 74 TC 135 Z9 137 U1 0 U2 4 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD MAR 1 PY 2008 VL 675 IS 1 BP 614 EP 625 DI 10.1086/520872 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 268EP UT WOS:000253562000047 ER PT J AU Sakamoto, T Barthelmy, SD Barbier, L Cummings, JR Fenimore, EE Gehrels, N Hullinger, D Krimm, HA Markwardt, CB Palmer, DM Parsons, AM Sato, G Stamatikos, M Tueller, J Ukwatta, TN Zhang, B AF Sakamoto, T. Barthelmy, S. D. Barbier, L. Cummings, J. R. Fenimore, E. E. Gehrels, N. Hullinger, D. Krimm, H. A. Markwardt, C. B. Palmer, D. M. Parsons, A. M. Sato, G. Stamatikos, M. Tueller, J. Ukwatta, T. N. Zhang, B. TI The first Swift bat gamma-ray burst catalog SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE gamma rays : bursts ID X-RAY; TELESCOPE; AFTERGLOW; SPECTRUM; FLASHES; MISSION; HARD AB We present the first Swift Burst Alert Telescope (BAT) catalog of gamma-ray bursts (GRBs), which contains bursts detected by the BAT between 2004 December 19 and 2007 June 16. This catalog (hereafter the BAT1 catalog) contains burst trigger time, location, 90% error radius, duration, fluence, peak flux, and time-averaged spectral parameters for each of 237 GRBs, as measured by the BAT. The BAT-determined position reported here is within 1.75' of the Swift X-Ray Telescope (XRT)-determined position for 90% of these GRBs. The BAT T-90 and T-50 durations peak at 80 and 20 s, respectively. From the fluence-fluence correlation, we conclude that about 60% of the observed peak energies, E-peak(obs), of BAT GRBs could be less than 100 keV. We confirm that GRB fluence to hardness and GRB peak flux to hardness are correlated for BAT bursts in analogous ways to previous missions' results. The correlation between the photon index in a simple power-law model and E-peak(obs) is also confirmed. We also report the current status for the on-orbit BAT calibrations based on observations of the Crab Nebula. C1 [Sakamoto, T.; Barthelmy, S. D.; Barbier, L.; Cummings, J. R.; Gehrels, N.; Krimm, H. A.; Markwardt, C. B.; Parsons, A. M.; Sato, G.; Stamatikos, M.; Tueller, J.; Ukwatta, T. N.] NASA, Goddard Space Flight Ctr, CRESST, Greenbelt, MD 20771 USA. [Sakamoto, T.; Stamatikos, M.] Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA. [Cummings, J. R.] Univ Maryland, Joint Ctr Astrophys, Baltimore, MD 21250 USA. [Fenimore, E. E.; Palmer, D. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Hullinger, D.] Moxtek Inc, Orem, UT 84057 USA. [Krimm, H. A.] Univ Space Res Assoc, Columbia, MD 21044 USA. [Markwardt, C. B.] Univ Maryland, Dept Astron, College Pk, MD 20742 USA. [Sato, G.] Japan Aerosp Explorat Agcy, Inst Space & Astronaut Sci, Sagamihara, Kanagawa 2298510, Japan. [Ukwatta, T. N.] George Washington Univ, Dept Phys, Ctr Nucl Studies, Washington, DC 20052 USA. [Zhang, B.] Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA. RP Sakamoto, T (reprint author), NASA, Goddard Space Flight Ctr, CRESST, Greenbelt, MD 20771 USA. RI Barthelmy, Scott/D-2943-2012; Gehrels, Neil/D-2971-2012; Tueller, Jack/D-5334-2012; Parsons, Ann/I-6604-2012 NR 28 TC 117 Z9 119 U1 0 U2 2 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0067-0049 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD MAR PY 2008 VL 175 IS 1 BP 179 EP 190 DI 10.1086/523646 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 307CO UT WOS:000256295600012 ER PT J AU Destaillats, H Maddalena, RL Singer, BC Hodgson, AT McKone, TE AF Destaillats, Hugo Maddalena, Randy L. Singer, Brett C. Hodgson, Alfred T. McKone, Thomas E. TI Indoor pollutants emitted by office equipment: A review of reported data and information needs SO ATMOSPHERIC ENVIRONMENT LA English DT Review DE polybrominated diphenyl ethers (PBDEs); indoor aerosols; polycyclic aromatic hydrocarbons (PAHs); volatile organic compounds; ozone; particulate matters; phthalate esters; laser printers; plasticizers ID POLYBROMINATED DIPHENYL ETHERS; BROMINATED FLAME RETARDANTS; DRY-PROCESS PHOTOCOPIERS; OUTDOOR AIR; SECONDARY POLLUTANTS; ORGANIC-COMPOUNDS; RECYCLING PLANT; HUMAN EXPOSURE; TEST CHAMBER; EMISSIONS AB Computers, printers, copier machines and other electronic equipment are a common part of the home and office environments. However, human exposure to potentially harmful pollutants emitted from office equipment has not been systematically evaluated, and is currently not well understood. Ill this review, we summarize available information oil emission rates and/or indoor concentrations of various pollutants that are related to office equipment use, briefly describe experimental methods used to characterize emissions and identify critical research needs in this field. The office equipment evaluated in this review includes computers (desktops and notebooks), printers (laser, ink-jet and all-in-one machines) and photocopy machines. We summarize reported emission rates for the following pollutant groups: volatile organic chemicals (VOCs), ozone, particulate matter and several semivolatile organic chemicals (SVOCs). The latter includes phthalate esters, brominated flame retardants, organophosphate flame retardants, and polycyclic aromatic hydrocarbons (PAHs). We also review studies reporting airborne concentrations in indoor environments (offices, residences, schools, electronics recycling plants) where office equipment was present and deemed to be a significant contributor to the total pollutant burden. We find that for some pollutants, such as organophosphate flame retardants, the link between office-equipment emissions and indoor air concentrations is relatively well established. However, indoor VOCs, ozone, PAHs and phthalate esters can originate from a variety of sources, and their source apportionment is less straightforward. We then observe that personal exposures may be significantly larger than those estimated through average pollutant indoor concentrations, due to proximity of users to the sources over extended periods of time. Finally, we observe that the magnitude of emissions, the link from emissions to personal exposure, the toxicological Significance of the chemicals emitted, and the costs and impacts of alternate materials should all be considered in order to evaluate potential importance of human exposures and health risks. Published by Elsevier Ltd. C1 [Destaillats, Hugo; Maddalena, Randy L.; Singer, Brett C.; Hodgson, Alfred T.; McKone, Thomas E.] Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Indoor Environm Dept, Berkeley, CA 94720 USA. [McKone, Thomas E.] Univ Calif Berkeley, Sch Publ Hlth, Berkeley, CA 94720 USA. [Destaillats, Hugo] Arizona State Univ, Dept Civil & Environm Engn, Tempe, AZ 85287 USA. RP Destaillats, H (reprint author), Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Indoor Environm Dept, 1 Cyclotron Rd,MS 70-108B, Berkeley, CA 94720 USA. EM HDestaillats@lbl.gov; TEMcKone@lbl.gov RI Destaillats, Hugo/B-7936-2013 NR 50 TC 123 Z9 125 U1 8 U2 98 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 MAR PY 2008 VL 42 IS 7 BP 1371 EP 1388 DI 10.1016/j.atmosenv.2007.10.080 PG 18 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 278CY UT WOS:000254262300001 ER PT J AU Pongprueksa, P Lin, CJ Lindberg, SE Jang, C Braverman, T Bullock, OR Ho, TC Chu, HW AF Pongprueksa, Pruek Lin, Che-Jen Lindberg, Steve E. Jang, Carey Braverman, Thomas Bullock, O. Russell, Jr. Ho, Thomas C. Chu, Hsing-Wei TI Scientific uncertainties in atmospheric mercury models III: Boundary and initial conditions, model grid resolution, and Hg(II) reduction mechanism SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE atmospheric mercury; boundary and initial conditions; CMAQ-Hg; grid resolution; mercury reduction mechanism ID MEASUREMENT NETWORK CAMNET; EASTERN NORTH-AMERICA; TOTAL GASEOUS MERCURY; WET DEPOSITION; HYDROGEN; SENSITIVITY; EMISSIONS; CHEMISTRY; DETECTOR AB In this study, the model response in terms of simulated mercury concentration and deposition to boundary condition (BC), initial condition (IC), model grid resolution (12 km versus 36 km), and two alternative Hg(II) reduction mechanisms, was investigated. The model response to the change of gaseous elemental mercury (GEM) concentration from 0 to 2 ng m(-3) in IC/BC is found to be very linear (r(2) > 0.99) based on the results of sensitivity simulations in July 2001. An increase of 1 ng m(-3) of GEM in BC resulted in an increase of 0.81 ng m(-3) in the monthly average of total mercury concentration, and 1270 ng m(-2) in the monthly total deposition. IC has similar but weaker effects compared to those of BC. An increase of 1 ng m-3 of GEM in IC resulted in an increase of 0.14 ng m(-3) in the monthly average of total mercury concentration, and 250 ng m-2 in the monthly total deposition. Varying reactive gaseous mercury (RGM) or particulate mercury (PHg) in BC/IC has much less significant impact. Simulation results at different grid resolutions show good agreement (slope = 0.950-1.026, r =: 0.816-0.973) in mercury concentration, dry deposition, and total deposition. The agreement in wet deposition is somewhat weaker (slope = 0.770-0.794, r = 0.685-0.892) due to the difference in emission dilution and simulated precipitation that subsequently change reaction rates in the aqueous phase. Replacing the aqueous Hg(II)-HO2, reduction by either RGM reduction by CO (5 x 10(-18) cm(3) molecule(-1) s(-1)) or photoreduction of RGM (1 x 10(-5)s(-1)) gives Significantly better model agreement with the wet deposition measured by Mercury Deposition Network (MDN). Possible ranges of the reduction rates are estimated based on model sensitivity results. The kinetic estimate requires further verification by laboratory studies. (C) 2007 Elsevier Ltd. All rights reserved. C1 [Pongprueksa, Pruek; Lin, Che-Jen] Lamar Univ, Dept Civil Engn, Beaumont, TX 77710 USA. [Lin, Che-Jen] S China Univ Technol, Sch Environm Sci & Engn, Guangzhou, Guangdong, Peoples R China. [Lindberg, Steve E.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN USA. [Lindberg, Steve E.] Univ Nevada, Dept Nat Resources & Environm Sci, Reno, NV 89557 USA. [Jang, Carey; Braverman, Thomas] US EPA, Off Air Qual Planning & Standards, Res Triangle Pk, NC 27711 USA. [Bullock, O. Russell, Jr.] NOAA, Air Resources Lab, Res Triangle Pk, NC 27711 USA. [Ho, Thomas C.] Lamar Univ, Dept Chem Engn, Beaumont, TX 77710 USA. [Chu, Hsing-Wei] Lamar Univ, Dept Mech Engn, Beaumont, TX 77710 USA. RP Lin, CJ (reprint author), Lamar Univ, Dept Civil Engn, 211 Redbird Lane,ML 10024, Beaumont, TX 77710 USA. EM Jerry.Lin@lamar.edu RI Lin, Che-Jen/K-1808-2013 OI Lin, Che-Jen/0000-0001-5990-3093 NR 36 TC 39 Z9 44 U1 2 U2 17 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 MAR PY 2008 VL 42 IS 8 BP 1828 EP 1845 DI 10.1016/j.atmosenv.2007.11.020 PG 18 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 284SO UT WOS:000254726300014 ER PT J AU Shaw, WJ Allwine, KJ Fritz, BG Rutz, FC Rishel, JP Chapman, EG AF Shaw, William J. Allwine, K. Jerry Fritz, Bradley G. Rutz, Frederick C. Rishel, Jeremy P. Chapman, Elaine G. TI Evaluation of the wind erosion module in DUSTRAN SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE wind erosion; PM10; dust flux; DUSTRAN; TEOM ID DAILY MORTALITY; WINDBLOWN DUST; OWENS LAKE; MODEL; AREAS; SALTATION; TEOM(R); EVENTS; TAIWAN; AIR AB Pacific Northwest National Laboratory (PNNL) has developed a dust transport model (DUSTRAN), which calculates atmospheric dust concentrations that result from both natural and human activity. DUSTRAN is a comprehensive dispersion modeling system, consisting of a dust-emissions module, a diagnostic meteorological model, and dispersion models that are integrated seamlessly into graphical information system (GIS) software. DUSTRAN functions as a console application and allows the user to interactively create a release scenario and run the underlying models. We have recently compared dust concentrations calculated by DUSTRAN with observations of wind erosion on the US Department of Energy's Hanford Site in southeastern Washington. In this paper we describe both DUSTRAN's algorithm for predicting the source strength of wind-blown dust and the comparison of simulated dust concentrations with data. The comparisons use observations of PM10 concentrations for three separate dust events on the Hanford Site in 2001. The dust measurements were made as part of an effort to monitor site recovery following a large range fire that occurred in 2000. The comparisons have provided both encouragement as to the practical value of the wind erosion module in DUSTRAN and examples of occasions when the simulations and observations diverge. In general, the maximum dust concentrations from the simulations and the observations for each dust event agreed closely. Because of the lack of soil moisture information, the model was run in a "dry" mode. However, certain discrepancies between the measured and simulated values relative to the timing of observed precipitation events suggest that soil moisture should be accounted for where possible. For low dust concentrations, DUSTRAN tends to overestimate PM10 levels. This may be a weakness in the form of the dust flux parameterization at low wind speeds. Overall, however, we have shown DUSTRAN to be an effective tool for simulating dust events due to wind erosion. (C) 2007 Published by Elsevier Ltd. C1 [Shaw, William J.; Allwine, K. Jerry; Fritz, Bradley G.; Rutz, Frederick C.; Rishel, Jeremy P.; Chapman, Elaine G.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Shaw, WJ (reprint author), Pacific NW Natl Lab, POB 999,MS K9-30, Richland, WA 99352 USA. EM will.shaw@pnl.gov NR 49 TC 50 Z9 50 U1 3 U2 14 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 MAR PY 2008 VL 42 IS 8 BP 1907 EP 1921 DI 10.1016/j.atmosenv.2007.11.022 PG 15 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 284SO UT WOS:000254726300019 ER PT J AU Fu, QY Zhuang, GS Wang, J Xu, C Huang, K Li, J Hou, B Lu, T Streets, DG AF Fu, Qingyan Zhuang, Guoshun Wang, Jing Xu, Chang Huang, Kan Li, Juan Hou, Bing Lu, Tao Streets, David G. TI Mechanism of formation of the heaviest pollution episode ever recorded in the Yangtze River Delta, China SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE aerosol; haze; speciation; Shanghai; Yangtze River Delta ID CHEMICAL-CHARACTERIZATION; PARTICULATE POLLUTION; ATMOSPHERIC AEROSOL; ION CHEMISTRY; HAZE EPISODE; PM2.5; AIR; REGION; VISIBILITY; EMISSIONS AB The heaviest aerosol pollution day in the historical record of the Yangtze River Delta occurred on 19 January 2007, in which the daily concentration of PM 10 reached 512 mu g m(-3) in Shanghai, 463 mu g m(-3) in Suzhou, 354 mu g m(-3) in Hangzhou, and 282 mu g m(-3) in Nanjing. The hourly concentrations Of PM(2.5) and PM(10) reached peak values of 466 and 744 mu g m(-3), respectively, in Shanghai. With visibility < 0.6 kin, the regional haze covered nearly the entire Yangtze River Delta. High ratios Of PM(2.5)/PM(10) (61%), SO(2)/PM(10) (0.38) and NO(2)/PM(10) (0.24) were observed. The unusual stagnant dispersion conditions before a cold front played the predominant role in this high pollution episode, with relative humidity (RH) of 88%, both surface and upper-level inversions, as well as low wind speed (< 1 m s(-1)). The sulfur oxidation rate (SOR) reached 0.67 and the nitrogen oxidation rate (NOR) reached 0.61, signifying that formation of sulfate and nitrate contributed significantly to the high secondary aerosol concentration Of PM2.5. The enrichment factors of As, Cd, and Pb reached 4058, 6971, and 3972, which were 4.45-6.68 times higher than those on good/moderate days. It was demonstrated that emissions from anthropogenic sources, especially stationary sources such as power plants, industrial boilers, and furnaces, were the major contributors to the heaviest aerosol pollution in the delta. More attention should be paid to the increases in emissions and the higher occurrence of haze days that have accompanied the rapid development of the economy in the Yangtze River Delta. (c) 2007 Elsevier Ltd. All rights reserved. C1 [Fu, Qingyan; Zhuang, Guoshun; Xu, Chang; Huang, Kan; Li, Juan; Hou, Bing] Fudan Univ, Ctr Atmospher Chem Study, Dept Environm Sci & Engn, Shanghai 200433, Peoples R China. [Fu, Qingyan; Wang, Jing; Lu, Tao] Shanghai Environm Monitoring Ctr, Shanghai 200030, Peoples R China. [Streets, David G.] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA. RP Zhuang, GS (reprint author), Fudan Univ, Ctr Atmospher Chem Study, Dept Environm Sci & Engn, Shanghai 200433, Peoples R China. EM gzhuang@fudan.edu.cn RI Huang, Kan/E-4824-2011; OI Li, Juan/0000-0002-1555-5397; Streets, David/0000-0002-0223-1350 NR 35 TC 139 Z9 168 U1 11 U2 157 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 MAR PY 2008 VL 42 IS 9 BP 2023 EP 2036 DI 10.1016/j.atmosenv.2007.12.002 PG 14 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 297MM UT WOS:000255620800006 ER PT J AU Gilbert, NL Guay, M Gauvin, D Dietz, RN Chan, CC Levesque, B AF Gilbert, Nicolas L. Guay, Mireille Gauvin, Denis Dietz, Russell N. Chan, Cecilia C. Levesque, Benoit TI Air change rate and concentration of formaldehyde in residential indoor air SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE indoor air quality; formaldehyde; air change rate; ventilation ID CONVERSION VARNISHES; EMISSIONS; CANADA; HOMES AB The purpose of this study was to investigate the relationship between air change rates and indoor concentrations of formaldehyde. Concentrations of formaldehyde and air change rates were measured in 96 homes in Quebec City, Canada, in winter 2005. House characteristics such as heating systems or recent renovations were also documented. Formaldehyde concentrations were regressed to air change rates among the entire sample and among some sub-samples of homes, and predictive intervals were computed. The air change rate ensuring a formaldehyde concentration below Health Canada's guideline value of 50 mu g m(-3) in 95% of homes was 0.26 h(-1) based on the entire sample, 0.34 h-1 in homes with recent off-gassing sources of formaldehyde, and 0.37 h(-1) in homes heated mainly by electrical baseboard heaters. These results indicate that ventilation effectively decreases formaldehyde concentrations, but some categories of homes such as those with new off-gassing sources and homes heated by electrical baseboard heaters may require a higher air change rate to keep their formaldehyde levels within Health Canada's guidelines. (c) 2008 Elsevier Ltd. All rights reserved. C1 [Gilbert, Nicolas L.; Guay, Mireille] Hlth Canada, Ottawa, ON K1A 0L2, Canada. [Gauvin, Denis; Levesque, Benoit] Inst Natl Sante Publ Quebec, Quebec City, PQ, Canada. [Dietz, Russell N.] Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. [Chan, Cecilia C.] CASSEN Testing Labs, Toronto, ON, Canada. RP Gilbert, NL (reprint author), Hlth Canada, Ottawa, ON K1A 0L2, Canada. EM nicolas_gilbert@acdi.-cida.gc.ca OI Gilbert, Nicolas/0000-0001-6985-8046 NR 16 TC 32 Z9 32 U1 2 U2 25 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 MAR PY 2008 VL 42 IS 10 BP 2424 EP 2428 DI 10.1016/j.atmosenv.2007.12.017 PG 5 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 290ZX UT WOS:000255163200014 ER PT J AU Loch, SD Pindzola, MS Ballance, CP Griffin, DC Colgan, J Badnell, NR O'Mullane, MG Summers, HP AF Loch, S. D. Pindzola, M. S. Ballance, C. P. Griffin, D. C. Colgan, J. Badnell, N. R. O'Mullane, M. G. Summers, H. P. TI Generalized collisional radiative model for light elements. Part B: Data for the Be isonuclear sequence SO ATOMIC DATA AND NUCLEAR DATA TABLES LA English DT Article ID FINITE-DENSITY PLASMAS; DIELECTRONIC RECOMBINATION DATA; ELECTRON-BERYLLIUM SCATTERING; CLOSE-COUPLING CALCULATIONS; ISOELECTRONIC SEQUENCE; IMPACT EXCITATION; IONIZATION; IONS; ATOMS; POPULATIONS AB A first-stage collision database is assembled which contains electron-impact excitation, ionization, and recombination rate coefficients for Be, Be+, Be2+, and Be3+. The first-stage database is constructed using the R-matrix with pseudo-states, time-dependent close-coupling, and perturbative, distorted-wave methods. A second-stage collision database is then assembled which contains generalized collisional-radiative and radiated power loss coefficients. The second-stage database is constructed by solution of collisional-radiative equations in the quasi-static equilibrium approximation using the first-stage database. Both collision database stages reside in electronic form at the ORNL Controlled Fusion Atomic Data Center and in the ADAS database, and are easily accessed over the worldwide internet. (C) 2007 Elsevier Inc. All rights reserved. C1 [Loch, S. D.; Pindzola, M. S.] Auburn Univ, Dept Phys, Allison Lab 206, Auburn, AL 36849 USA. [Ballance, C. P.; Griffin, D. C.] Rollins Coll, Dept Phys, Winter Pk, FL 32789 USA. [Colgan, J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Badnell, N. R.; O'Mullane, M. G.; Summers, H. P.] Univ Strathclyde, Dept Phys, Glasgow G4 0NG, Lanark, Scotland. RP Loch, SD (reprint author), Auburn Univ, Dept Phys, Allison Lab 206, Auburn, AL 36849 USA. EM loch@physics.auburn.edu OI Colgan, James/0000-0003-1045-3858 NR 22 TC 14 Z9 14 U1 1 U2 3 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0092-640X J9 ATOM DATA NUCL DATA JI Atom. Data Nucl. Data Tables PD MAR PY 2008 VL 94 IS 2 BP 257 EP 321 DI 10.1016/j.adt.2007.11.002 PG 65 WC Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Physics GA 274JW UT WOS:000253998600003 ER PT J AU Kim, YG Ho, SO Gassman, NR Korlann, Y Landorf, EV Collart, FR Weiss, S AF Kim, Younggyu Ho, Sam O. Gassman, Natalie R. Korlann, You Landorf, Elizabeth V. Collart, Frank R. Weiss, Shimon TI Efficient site-specific Labeling of proteins via cysteines SO BIOCONJUGATE CHEMISTRY LA English DT Article ID SINGLE-MOLECULE FLUORESCENCE; ALTERNATING-LASER EXCITATION; PROMOTER OPEN COMPLEX; RNA-POLYMERASE; STRUCTURAL ORGANIZATION; IN-VITRO; TRANSCRIPTION; PROBES; CONJUGATION; INITIATION AB Methods for chemical modifications of proteins have been crucial for the advancement of proteomics. In particular, site-specific covalent labeling of proteins with fluorophores and other moieties has permitted the development of a multitude of assays for proteome analysis. A common approach for such a modification is solvent-accessible cysteine labeling using thiol-reactive dyes. Cysteine is very attractive for site-specific conjugation due to its relative rarity throughout the proteome and the ease of its introduction into a specific site along the protein's amino acid chain. This is achieved by site-directed mutagenesis, most often without perturbing the protein's function. Bottlenecks in this reaction, however, include the maintenance of reactive thiol groups without oxidation before the reaction, and the effective removal of unreacted molecules prior to fluorescence studies. Here, we describe an efficient, specific, and rapid procedure for cysteine labeling starting from well-reduced proteins in the solid state. The efficacy and specificity of the improved procedure are estimated using a variety of single-cysteine proteins and thiol-reactive dyes. Based on UV/vis absorbance spectra, coupling efficiencies are typically in the range 70-90%, and specificities are better than similar to 95%. The labeled proteins are evaluated using fluorescence assays, proving that the covalent modification does not alter their function. In addition to maleimide-based conjugation, this improved procedure may be used for other thiol-reactive conjugations such as haloacetyl, alkyl halide, and disulfide interchange derivatives. This facile and rapid procedure is well suited for high throughput proteome analysis. C1 [Kim, Younggyu; Ho, Sam O.; Gassman, Natalie R.; Korlann, You; Weiss, Shimon] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. [Weiss, Shimon] Univ Calif Los Angeles, Dept Physiol, Los Angeles, CA 90095 USA. [Weiss, Shimon] Univ Calif Los Angeles, Calif NanoSyst Inst, Los Angeles, CA 90095 USA. [Landorf, Elizabeth V.; Collart, Frank R.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Kim, YG (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, 607 Charles E Young Dr E, Los Angeles, CA 90095 USA. EM ykim@chem.ucla.edu; sweiss@chem.ucla.edu RI weiss, shimon/B-4164-2009; OI weiss, shimon/0000-0002-0720-5426; Gassman, Natalie/0000-0002-8488-2332; Collart, Frank/0000-0001-6942-4483 FU NIGMS NIH HHS [R01 GM069709-01A1, GM069709-01, R01 GM069709] NR 34 TC 67 Z9 67 U1 6 U2 43 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 MAR PY 2008 VL 19 IS 3 BP 786 EP 791 DI 10.1021/bc7002499 PG 6 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Chemistry, Multidisciplinary; Chemistry, Organic SC Biochemistry & Molecular Biology; Chemistry GA 277AO UT WOS:000254185000027 PM 18275130 ER PT J AU Shah, AR Oehmen, CS Webb-Robertson, BJ AF Shah, Anuj R. Oehmen, Christopher S. Webb-Robertson, Bobbie-Jo TI SVM-HUSTLE - an iterative semi-supervised machine learning approach for pairwise protein remote homology detection SO BIOINFORMATICS LA English DT Article ID TWILIGHT ZONE; INFORMATION; ALIGNMENT; MODELS; TOOL AB Motivation: As the amount of biological sequence data continues to grow exponentially we face the increasing challenge of assigning function to this enormous molecular 'parts list'. The most popular approaches to this challenge make use of the simplifying assumption that similar functional molecules, or proteins, sometimes have similar composition, or sequence. However, these algorithms often fail to identify remote homologs (proteins with similar function but dissimilar sequence) which often are a significant fraction of the total homolog collection for a given sequence. We introduce a Support Vector Machine (SVM)-based tool to detect homology using semi-supervised iterative learning (SVM-HUSTLE) that identifies significantly more remote homologs than current state-of-the-art sequence or cluster-based methods. As opposed to building profiles or position specific scoring matrices, SVM-HUSTLE builds an SVM classifier for a query sequence by training on a collection of representative high-confidence training sets, recruits additional sequences and assigns a statistical measure of homology between a pair of sequences. SVM-HUSTLE combines principles of semi-supervised learning theory with statistical sampling to create many concurrent classifiers to iteratively detect and refine, on-the-fly, patterns indicating homology. Results: When compared against existing methods for identifying protein homologs (BLAST, PSI-BLAST, COMPASS, PROF_SIM, RANKPROP and their variants) on two different benchmark datasets SVM-HUSTLE significantly outperforms each of the above methods using the most stringent ROC1 statistic with P-values less than 1e-20. SVM-HUSTLE also yields results comparable to HHSearch but at a substantially reduced computational cost since we do not require the construction of HMMs. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Shah, AR (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. NR 37 TC 20 Z9 20 U1 0 U2 3 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 J9 BIOINFORMATICS JI Bioinformatics PD MAR PY 2008 VL 24 IS 6 BP 783 EP 790 DI 10.1093/bioinformatics/btn028 PG 8 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA 274OK UT WOS:000254010400007 PM 18245127 ER PT J AU Gu, L Hanson, PJ Mac Post, W Kaiser, DP Yang, B Nemani, R Pallardy, SG Meyers, T AF Gu, Lianhong Hanson, Paul J. Mac Post, W. Kaiser, Dale P. Yang, Bai Nemani, Ramakrishna Pallardy, Stephen G. Meyers, Tilden TI The 2007 eastern US spring freezes: Increased cold damage in a warming world? SO BIOSCIENCE LA English DT Article DE extreme temperature fluctuation; frost damage; plant phenology; climate warming; carbon cycle ID ELEVATED ATMOSPHERIC CO2; FROST HARDINESS; CLIMATE-CHANGE; WINTER THAW; RED SPRUCE; SCOTS PINE; GROWTH; TOLERANCE; INJURY; TREES AB Plant ecologists have long been concerned with a seemingly paradoxical scenario in the relationship between plant growth and climate change: warming may actually increase the risk of plant frost damage. The underlying hypothesis is that mild winters and warm, early springs, which are expected to occur as the climate warms, may induce premature plant development, resulting in exposure of vulnerable plant tissues and organs to subsequent late-season frosts. The 2007 spring freeze in the eastern United States provides an excellent opportunity to evaluate this hypothesis and assess its large-scale consequences. In this article, we contrast the rapid prefreeze phenological advancement caused by unusually warm conditions with the dramatic postfreeze setback, and report complicated patterns of freeze damage to plants. The widespread devastation of crops and natural vegetation occasioned by this event demonstrates the need to consider large fluctuations in spring temperatures a real threat to terrestrial ecosystem structure and functioning in a warming climate. C1 [Gu, Lianhong; Hanson, Paul J.; Mac Post, W.; Kaiser, Dale P.; Yang, Bai] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Nemani, Ramakrishna] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. [Pallardy, Stephen G.] Univ Missouri, Dept Forestry, Columbia, MO USA. [Meyers, Tilden] Natl Ocean Atmospher Adm, Air Resources Lab, Atmospher Turbulence & Diffus Div, Oak Ridge, TN USA. RP Gu, L (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM lianhong-gu@ornl.gov RI Hanson, Paul J./D-8069-2011; Post, Wilfred/B-8959-2012; Meyers, Tilden/C-6633-2016; Gu, Lianhong/H-8241-2014 OI Hanson, Paul J./0000-0001-7293-3561; Gu, Lianhong/0000-0001-5756-8738 NR 38 TC 190 Z9 204 U1 8 U2 84 PU AMER INST BIOLOGICAL SCI PI WASHINGTON PA 1444 EYE ST, NW, STE 200, WASHINGTON, DC 20005 USA SN 0006-3568 J9 BIOSCIENCE JI Bioscience PD MAR PY 2008 VL 58 IS 3 BP 253 EP 262 DI 10.1641/B580311 PG 10 WC Biology SC Life Sciences & Biomedicine - Other Topics GA 275KQ UT WOS:000254070700011 ER PT J AU Yazdy, MM Autry, AR Honein, MA Frias, JL AF Yazdy, Mahsa M. Autry, Andrew R. Honein, Margaret A. Frias, Jaime L. TI Use of special education services by children with orofacial clefts SO BIRTH DEFECTS RESEARCH PART A-CLINICAL AND MOLECULAR TERATOLOGY LA English DT Article; Proceedings Paper CT 40th Annual Meeting of the Society-for-Epidemiologic-Research CY JUN 19-22, 2007 CL Boston, MA SP Soc Epidemiol Res DE cleft lip; cleft lip and palate; special education ID BIRTH-DEFECTS SURVEILLANCE; PALATE; ATTRACTIVENESS; DISABILITIES; HEARING AB BACKGROUND: Our objective was to evaluate the use of special education services by children with orofacial clefts (OFCs). METHODS: We linked the birth certificates of children born from 1982-2001 in five counties of metropolitan Atlanta to a population-based birth defects surveillance system to identify children with OFCs, and to the special education files for the school years 1992-2004 to identify children who used special education services. The special education data contained exceptionalities and services rendered for each school year. Prevalence ratios (PRs) and 95% CIs were calculated. The data were stratified by race/ethnicity, maternal education, type of OFC, and the presence of associated major malformations. In addition, we assessed the age at which special education began and the amount of time spent receiving services. RESULTS: Of the 777 children with OFCs, 201 (26%) were in special education at least I year compared with 8% of the children who had no major birth defects, yielding a PR of 3.2 (95% Cl: 2.9-3.6). The most common exceptionality or service for children with an OFC was speech and language services. Compared with children with no birth defects, children with an OFC were four times more likely to be in this exceptionality (PR 3.8; 95% CI: 3.3-4.3). After excluding children in speech and language services, children with OFCs were still more likely to use special education services (PR 2.4; 95% CL 1.7-3.2). CONCLUSIONS: Children with OFCs used special education services more often than children without birth defects. This information can help in planning for future population needs. C1 [Yazdy, Mahsa M.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Yazdy, Mahsa M.; Autry, Andrew R.; Honein, Margaret A.; Frias, Jaime L.] Ctr Dis Control & Prevent, Natl Ctr Birth Defects & Dev Disabil, Atlanta, GA USA. [Frias, Jaime L.] McKing Consulting Corp, Atlanta, GA USA. RP Honein, MA (reprint author), 1600 Clifron Rd,MS E-86, Atlanta, GA 30333 USA. EM mhonein@cdc.gov OI Yazdy, Mahsa/0000-0002-7415-5350 NR 20 TC 13 Z9 13 U1 2 U2 4 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1542-0752 EI 1542-0760 J9 BIRTH DEFECTS RES A JI Birth Defects Res. Part A-Clin. Mol. Teratol. PD MAR PY 2008 VL 82 IS 3 BP 147 EP 154 DI 10.1002/bdra.20433 PG 8 WC Developmental Biology; Toxicology SC Developmental Biology; Toxicology GA 282XS UT WOS:000254601400004 PM 18183625 ER PT J AU Lyness, JN Joe, S AF Lyness, J. N. Joe, S. TI Determination of the rank of an integration lattice SO BIT NUMERICAL MATHEMATICS LA English DT Article DE lattice rules; rank; integration lattice ID QUADRATURE-RULES; DIMENSIONS AB The continuing and widespread use of lattice rules for high-dimensional numerical quadrature is driving the development of a rich and detailed theory. Part of this theory is devoted to computer searches for rules, appropriate to particular situations. In some applications, one is interested in obtaining the (lattice) rank of a lattice rule Q(Lambda) directly from the elements of a generator matrix B (possibly in upper triangular lattice form) of the corresponding dual lattice Lambda(perpendicular to). We treat this problem in detail, demonstrating the connections between this (lattice) rank and the conventional matrix rank deficiency of modulo p versions of B. C1 [Lyness, J. N.] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Joe, S.] Univ Waikato, Dept Math, Hamilton, New Zealand. RP Lyness, JN (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM lyness@mcs.anl.gov; stephenj@math.waikato.ac.nz OI Joe, Stephen/0000-0002-7652-9205 NR 14 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0006-3835 J9 BIT JI Bit PD MAR PY 2008 VL 48 IS 1 BP 79 EP 93 DI 10.1007/s10543-008-0161-4 PG 15 WC Computer Science, Software Engineering; Mathematics, Applied SC Computer Science; Mathematics GA 276XW UT WOS:000254178000007 ER PT J AU Bhattacharyya, M Ebert-McNeill, A Cemy, E Chandar, M Clark, S Miller, J AF Bhattacharyya, Maryka Ebert-McNeill, Andrea Cemy, Elizabeth Chandar, Manisha Clark, Sara Miller, James TI Calcium release from bone in postmenopausal women: Effects of low level cadmium exposure SO BONE LA English DT Meeting Abstract CT International-Bone-and-Mineral-Society Davos Workshop on Bone Biology and Therapeutics CY MAR 09-14, 2008 CL Davos, SWITZERLAND SP Int Bone & Mineral Soc, Alliance Better Bone Hlth, Amgen, F Hoffman La Roche LTD, Hologic Inc, Novartis Oncol, Merck, Pfizer C1 [Bhattacharyya, Maryka; Ebert-McNeill, Andrea; Cemy, Elizabeth] Argonne Natl Lab, Argonne, IL 60439 USA. [Chandar, Manisha] Washington Univ, St Louis, MO USA. [Clark, Sara] N Georgia Coll & State Univ, Dahlonega, GA 30597 USA. [Miller, James] Univ Utah, Provo, UT USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 8756-3282 J9 BONE JI Bone PD MAR PY 2008 VL 42 SU 1 MA 65 BP S46 EP S46 DI 10.1016/j.bone.2007.12.075 PG 1 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 271OX UT WOS:000253799600065 ER PT J AU Koester, KJ Ager, JW Ritchie, RO AF Koester, Kurt J. Ager, Joel W. Ritchie, Robert O. TI The toughness of bone and the influence of bisphosphonates on the resistance to fracture SO BONE LA English DT Meeting Abstract CT International-Bone-and-Mineral-Society Davos Workshop on Bone Biology and Therapeutics CY MAR 09-14, 2008 CL Davos, SWITZERLAND SP Int Bone & Mineral Soc, Alliance Better Bone Hlth, Amgen, F Hoffman La Roche LTD, Hologic Inc, Novartis Oncol, Merck, Pfizer C1 [Koester, Kurt J.; Ritchie, Robert O.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Ager, Joel W.] Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA USA. OI Ager, Joel/0000-0001-9334-9751 NR 0 TC 0 Z9 0 U1 0 U2 2 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 8756-3282 J9 BONE JI Bone PD MAR PY 2008 VL 42 SU 1 MA 130 BP S76 EP S76 DI 10.1016/j.bone.2007.12.140 PG 1 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 271OX UT WOS:000253799600130 ER PT J AU Kramer, I Loots, GG Kneissel, M AF Kramer, Ina Loots, Gabriela G. Kneissel, Michaela TI PTH-induced bone anabolism is blunted in SOST overexpressing mice SO BONE LA English DT Meeting Abstract CT International-Bone-and-Mineral-Society Davos Workshop on Bone Biology and Therapeutics CY MAR 09-14, 2008 CL Davos, SWITZERLAND SP Int Bone & Mineral Soc, Alliance Better Bone Hlth, Amgen, F Hoffman La Roche LTD, Hologic Inc, Novartis Oncol, Merck, Pfizer C1 [Kramer, Ina; Kneissel, Michaela] Novartis Inst BioMed Res, Musculoskeletal Dis Area, Basel, Switzerland. [Loots, Gabriela G.] Lawrence Livermore Lab, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 8756-3282 J9 BONE JI Bone PD MAR PY 2008 VL 42 SU 1 MA 88 BP S56 EP S57 DI 10.1016/j.bone.2007.12.098 PG 2 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 271OX UT WOS:000253799600088 ER PT J AU Herrmann, HJ Harting, J Hecht, M Ben-Naim, E AF Herrmann, H. J. Harting, J. Hecht, M. Ben-Naim, E. TI Simulation of dense colloids SO BRAZILIAN JOURNAL OF PHYSICS LA English DT Article; Proceedings Paper CT 5th Brazilian Meeting on Simulational Physics CY JUL 31-AUG 04, 2007 CL Ouro Preto, BRAZIL SP CNPq, FAPEMIG, UFMG, UFOP DE computer simulations; molecular dynamics; SRD; lattice Boltzmann; colloids; shear cell; rheology ID DISCRETIZED BOLTZMANN-EQUATION; PARTICULATE SUSPENSIONS; NUMERICAL SIMULATIONS; DYNAMICS; SPHERES; MODEL; SOLVENT; FLUID AB We present in this proceeding recent large scale simulations of dense colloids. On one hand we simulate model clay consisting of nanometric aluminum oxydc spheres in water using realistic effective electrostatic interactions and Van der Waals attractions, known as DLVO potentials and a combination of molecular dynamics (MD) and stochastic rotation dynamics (SRD). We find pronounced cluster formation and retrieve the shear softening of the viscosity in quantitative agreement with experiments. On the other hand we study the velocity probability distribution functions (PDF) of sheared hard-sphere colloids using a combination of MD with lattice Boltzmann and find strong deviations from a Maxwell-Boltzmann distribution. We find a Gaussian core and an exponential tail over more than six orders of magnitude of probability. The simulation data follow very well a simple theory. We show that the PDFs scale with shear rate gamma as well as particle volume concentration phi, and kinematic viscosity nu. C1 [Herrmann, H. J.] ETH, IfB, CH-8093 Zurich, Switzerland. [Herrmann, H. J.] Univ Fed Ceara, Dept Fis, BR-60451970 Fortaleza, CE, Brazil. [Harting, J.; Hecht, M.] Inst Computat Phys, D-70569 Stuttgart, Germany. [Ben-Naim, E.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Ben-Naim, E.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Herrmann, HJ (reprint author), ETH, IfB, Schafmattstr 6, CH-8093 Zurich, Switzerland. RI Harting, Jens/B-4884-2008; Ben-Naim, Eli/C-7542-2009; UFC, DF/E-1564-2017; Universidade Federal do Ceara, Physics Department/J-4630-2016 OI Harting, Jens/0000-0002-9200-6623; Ben-Naim, Eli/0000-0002-2444-7304; Universidade Federal do Ceara, Physics Department/0000-0002-9247-6780 NR 43 TC 0 Z9 0 U1 1 U2 11 PU SOC BRASILEIRA FISICA PI SAO PAULO PA CAIXA POSTAL 66328, 05315-970 SAO PAULO, BRAZIL SN 0103-9733 J9 BRAZ J PHYS JI Braz. J. Phys. PD MAR PY 2008 VL 38 IS 1 BP 37 EP 42 PG 6 WC Physics, Multidisciplinary SC Physics GA 281TM UT WOS:000254521800007 ER PT J AU Rosner, R AF Rosner, Robert TI Making nuclear energy work SO BULLETIN OF THE ATOMIC SCIENTISTS LA English DT Article C1 [Rosner, Robert] Argonne Natl Lab, Argonne, IL 60439 USA. [Rosner, Robert] Univ Chicago, Enrico Fermi Inst, Dept Phys, Dept Astron & Astrophys, Chicago, IL 60637 USA. RP Rosner, R (reprint author), Argonne Natl Lab, Argonne, IL 60439 USA. NR 4 TC 2 Z9 2 U1 1 U2 1 PU EDUC FOUNDATION NUCLEAR SCI PI CHICAGO PA 6042 SOUTH KIMBARK, CHICAGO, IL 60637 USA SN 0096-3402 J9 B ATOM SCI JI Bull. Atom. Scient. PD MAR-APR PY 2008 VL 64 IS 1 BP 28 EP + DI 10.2968/064001008 PG 7 WC International Relations; Social Issues SC International Relations; Social Issues GA 266AU UT WOS:000253404100011 ER PT J AU Keating, GN Valentine, GA Krier, DJ Perry, FV AF Keating, Gordon N. Valentine, Greg A. Krier, Donathon J. Perry, Frank V. TI Shallow plumbing systems for small-volume basaltic volcanoes SO BULLETIN OF VOLCANOLOGY LA English DT Article DE eruptive conduit; basalt; cinder cone; conduit modeling; dike; magmatic; fissure eruption ID RADIOACTIVE-WASTE REPOSITORY; SOUTHERN NEVADA; NEW-MEXICO; YUCCA MOUNTAIN; FISSURE ERUPTIONS; VALLEY CALDERA; GRANTS RIDGE; NEW-ZEALAND; MAGMA; FIELD AB Eruptive dynamics in basaltic volcanoes are controlled, in part, by the conduit geometry. However, uncertainties in conduit shape and dike-to-conduit transition geometry have limited our predictive capability for hazards assessments. We characterize the subvolcanic geometry of small-volume basaltic volcanoes (magmatic volatile-driven eruptions, 0.1 to 0.5 km(3)) based on a synthesis of field studies of five basaltic volcanoes exposed to varying degrees by erosion and exhibiting feeder dikes, conduits, and vent areas <= 250 m depth. Study areas include East Grants Ridge (New Mexico, USA), Basalt Ridge, East Basalt Ridge, Paiute Ridge, and Southeast Crater Flat (Nevada, USA). Basaltic feeder dikes 250 to 100 m deep have typical widths of 4-12 m, with smooth host-rock contacts (rhyolite tuff). At depths less than 100 m, heterogeneities in the host rock form preferential pathways for small dike splays and sills, resulting in a 30-m effective width at 50 m depth. The development of a complex conduit at depths less than 70 m is reflected in bifurcating dikes and brecciation and incorporation of the country rock. The overall zone of effect at depths less than 50 m is <= 110 m wide (220 m elongated along the feeder dike). Based on comparisons with theoretical conduit flow models, the width of the feeder dike at depths from 250 to 500 m is expected to range from 1 to 10 m and is expected to decrease to about 1-2 m at depths greater than 500 m. The flaring shape of the observed feeder systems is similar to results of theoretical modeling using lithostatic pressure-balanced flow conditions. Sizes of observed conduits differ from modeled dimensions by up to a factor of 10 in the shallow subsurface (< 50 m depth), but at depths greater than 100 m the difference is a factor of 2 to 4. This difference is primarily due to the fact that observed eroded conduits record the superimposed effects of multiple eruptive events, while theoretical model results define dimensions necessary for a single, steady eruption phase. The complex details of magma-host rock interactions observed at the study areas (contact welding, brecciation, bifurcating dikes and sills, and stoping) represent the mechanisms by which the lithostatic pressure-balanced geometry is attained. The similarity in the normalized shapes of theoretical and observed conduits demonstrates the appropriateness of the pressure-balanced modeling approach, consistent with the conclusions of Wilson and Head (J Geophys Res 86:2971-3001, 1981) for this type of volcano. C1 [Keating, Gordon N.; Valentine, Greg A.; Krier, Donathon J.; Perry, Frank V.] Los Alamos Natl Lab, Earth & Environm Sic Div, Los Alamos, NM 87545 USA. RP Keating, GN (reprint author), Los Alamos Natl Lab, Earth & Environm Sic Div, Mail Stop D452, Los Alamos, NM 87545 USA. EM gkeating@lanl.gov NR 67 TC 74 Z9 74 U1 3 U2 17 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0258-8900 J9 B VOLCANOL JI Bull. Volcanol. PD MAR PY 2008 VL 70 IS 5 BP 563 EP 582 DI 10.1007/s00445-007-0154-1 PG 20 WC Geosciences, Multidisciplinary SC Geology GA 265GH UT WOS:000253346600002 ER PT J AU Gumel, AB Nuno, M Chowell, G AF Gumel, Abba B. Nuno, Miriam Chowell, Gerardo TI Mathematical assessment of Canada's pandemic influenza preparedness plan SO CANADIAN JOURNAL OF INFECTIOUS DISEASES & MEDICAL MICROBIOLOGY LA English DT Article DE antivirals; control measures; influenza; pandemic; preparedness plan; vaccination ID UNITED-STATES; STRATEGIES; IMPACT; TRANSMISSIBILITY; EPIDEMIC; VACCINE; NUMBER AB OBJECTIVE: The presence of the highly pathogenic avian H5N1 virus in wild bird populations in several regions of the world, together with recurrent cases of H5N1 influenza arising primarily from direct contact with poultry, have highlighted the urgent need for preparedness and coordinated global strategies to effectively combat a potential influenza pandemic. The purpose of the present study was to evaluate the Canadian pandemic influenza preparedness plan. PATIENTS AND METHODS: A mathematical model of the transmission dynamics of influenza was used to keep track of the population according to risk of infection (low or high) and infection status (susceptible, exposed or infectious). The model was parametrized using available Canadian demographic data. The model was then used to evaluate the key components outlined in the Canadian plan. RESULTS: The results indicated that the number of cases, mortalities and hospitalizations estimated in the Canadian plan may have been underestimated; the use of antivirals, administered therapeutically, prophylactically or both, is the most effective single intervention followed by the use of a vaccine and basic public health measures; and the combined use of pharmaceutical interventions (antivirals and vaccine) can dramatically minimize the burden of the pending influenza pandemic in Canada. Based on increasing concerns of Oseltamivir resistance (wide-scale implementation), coupled with the expected unavailability of a suitable vaccine during the early stages of a pandemic, the present study evaluated the potential impact of nonpharmaceutical interventions (NPIs) which were not emphasized in the current Canadian plan. To this end, the findings suggest that the use of NPIs can drastically reduce the burden of a pandemic in Canada. CONCLUSIONS: A deterministic model was designed and used to assess Canada's pandemic preparedness plan. The study showed that the estimates of pandemic influenza burden given in the Canada pandemic preparedness plan may be an underestimate, and that Canada needs to adopt NPIs to complement its preparedness plan. C1 [Gumel, Abba B.] Univ Manitoba, Dept Math, Winnipeg, MB R3T 2N2, Canada. [Nuno, Miriam] Harvard Sch Publ Hlth, Dept Biostat, Boston, MA USA. [Chowell, Gerardo] Ctr Nonlinear Studies, Math Modeling & Anal Grp MS B 284, Los Alamos Natl Lab, Los Alamos, NM USA. [Chowell, Gerardo] Arizona State Univ, Sch Human Evolut & Social Change, Tempe, AZ USA. RP Gumel, AB (reprint author), Univ Manitoba, Dept Math, Winnipeg, MB R3T 2N2, Canada. EM gumelab@cc.umanitoba.ca RI Chowell, Gerardo/A-4397-2008; Chowell, Gerardo/F-5038-2012 OI Chowell, Gerardo/0000-0003-2194-2251 FU NIAID NIH HHS [T32 AI007358]; NIBIB NIH HHS [R01 EB006195] NR 23 TC 7 Z9 7 U1 0 U2 2 PU PULSUS GROUP INC PI OAKVILLE PA 2902 S SHERIDAN WAY, OAKVILLE, ONTARIO L6J 7L6, CANADA SN 1712-9532 J9 CAN J INFECT DIS MED JI Can. J. Infect. Dis. Med. Microbiol. PD MAR-APR PY 2008 VL 19 IS 2 BP 185 EP 192 PG 8 WC Infectious Diseases; Microbiology SC Infectious Diseases; Microbiology GA 291GF UT WOS:000255181300006 PM 19352450 ER PT J AU Trabert, E Beiersdorfer, P Gu, MF AF Traebert, E. Beiersdorfer, P. Gu, M. F. TI Spectra of Ni- and Co-like ions of Xe in an electron-beam ion trap SO CANADIAN JOURNAL OF PHYSICS LA English DT Article ID NICKEL-LIKE IONS; LINE OVERLAP; ISOELECTRONIC SEQUENCE; DENSITY-DEPENDENCE; ATOMIC SPECTRA; RAY-LASER; TRANSITIONS; EXCITATION; TUNGSTEN; E1 AB High-resolution soft X-ray observations of Ni- and Co-like Xe ions in an electron-beam ion trap are compared with the predictions of various calculations. Calculated energy levels up to the 4p levels are presented alongside experimental determinations. C1 [Traebert, E.; Beiersdorfer, P.; Gu, M. F.] Lawrence Livermore Natl Lab, High Temp & Plasma Phys Div, Livermore, CA 94550 USA. [Traebert, E.] Ruhr Univ Bochum, Fak Phys & Astron, D-44780 Bochum, Germany. RP Trabert, E (reprint author), Lawrence Livermore Natl Lab, High Temp & Plasma Phys Div, POB 5508, Livermore, CA 94550 USA. EM traebert@ep3.ruhr-uni-bochum.de NR 46 TC 2 Z9 2 U1 1 U2 2 PU CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS PI OTTAWA PA 1200 MONTREAL ROAD, BUILDING M-55, OTTAWA, ON K1A 0R6, CANADA SN 0008-4204 J9 CAN J PHYS JI Can. J. Phys. PD MAR PY 2008 VL 86 IS 3 BP 467 EP 475 DI 10.1139/P07-180 PG 9 WC Physics, Multidisciplinary SC Physics GA 309UA UT WOS:000256484500004 ER PT J AU Rizki, A Weaver, VM Lee, SY Rozenberg, GI Chin, K Myers, CA Bascom, JL Semeiks, JR Grate, LR Man, IS Borowsky, AD Jensen, RA Idowu, MO Chen, F Chen, DJ Petersen, OW Gray, JW Bissell, MJ AF Rizki, Aylin Weaver, Valerie M. Lee, Sun-Young Rozenberg, Gabriela I. Chin, Koei Myers, Connie A. Bascom, Jamie L. Semeiks, Jeremy R. Grate, Leslie R. Man, I. Saira Borowsky, Alexander D. Jensen, Roy A. Idowu, Michael O. Chen, Fanqing Chen, David J. Petersen, Ole W. Gray, Joe W. Bissell, Mina J. TI A human breast cell model of preinvasive to invasive transition SO CANCER RESEARCH LA English DT Article ID COMPARATIVE GENOMIC HYBRIDIZATION; CARCINOMA IN-SITU; GENETIC ALTERATIONS; TUMOR-CELLS; MATRIX METALLOPROTEINASES; RECIPROCAL INTERACTIONS; EXTRACELLULAR-MATRIX; BIOLOGICAL FEATURES; CANCER PROGRESSION; EPITHELIAL-CELLS AB A crucial step in human breast cancer progression is the acquisition of invasiveness. There is a distinct lack of human cell culture models to study the transition from preinvasive to invasive phenotype as it may occur "spontaneously" in vivo. To delineate molecular alterations important for this transition, we isolated human breast epithelial cell lines that showed partial loss of tissue polarity in three-dimensional reconstituted basement membrane cultures. These cells remained noninvasive; however, unlike their nonmalignant counterparts, they exhibited a high propensity to acquire invasiveness through basement membrane in culture. The genomic aberrations and gene expression profiles of the cells in this model showed a high degree of similarity to primary breast tumor profiles. The xenograft tumors formed by the cell lines in three different microenvironments in nude mice displayed metaplastic phenotypes, including squamous and basal characteristics, with invasive cells exhibiting features of higher-grade tumors. To find functionally significant changes in transition from preinvasive to invasive phenotype, we performed attribute profile clustering analysis on the list of genes differentially expressed between preinvasive and invasive cells. We found integral membrane proteins, transcription factors, kinases, transport molecules, and chemokines to be highly represented. In addition, expression of matrix metalloproteinases MMP9, MMP13, MMP15, and MMP17 was up-regulated in the invasive cells. Using small interfering RNA-based approaches, we found these MMPs to be required for the invasive phenotype. This model provides a new tool for dissection of mechanisms by which preinvasive breast cells could acquire invasiveness in a metaplastic context. C1 [Rizki, Aylin; Lee, Sun-Young; Myers, Connie A.; Bascom, Jamie L.; Semeiks, Jeremy R.; Grate, Leslie R.; Man, I. Saira; Chen, Fanqing; Chen, David J.; Gray, Joe W.; Bissell, Mina J.] Ernest Orland Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Weaver, Valerie M.; Rozenberg, Gabriela I.] Univ Penn, Dept Pathol, Philadelphia, PA 19104 USA. [Weaver, Valerie M.; Rozenberg, Gabriela I.] Univ Penn, Inst Med & Engn, Philadelphia, PA 19104 USA. [Chin, Koei] Univ Calif San Francisco, Dept Lab Med, San Francisco, CA 94143 USA. [Chin, Koei] Univ Calif San Francisco, Ctr Comprehens Canc, San Francisco, CA 94143 USA. [Borowsky, Alexander D.; Gray, Joe W.] Univ Calif Davis, Dept Pathol, Davis, CA 95616 USA. [Borowsky, Alexander D.; Gray, Joe W.] Univ Calif Davis, Media Lab, Davis, CA 95616 USA. [Borowsky, Alexander D.; Gray, Joe W.] Univ Calif Davis, Ctr Comprehens Med, Davis, CA 95616 USA. [Jensen, Roy A.] Kansas Mason Canc Res Inst, Kansas City, KS USA. [Idowu, Michael O.] Virginia Commonwealth Univ, Dept Pathol, Richmond, VA USA. [Chen, David J.] UT SW Med ctr, Dept Radiat Oncol, Dallas, TX USA. [Petersen, Ole W.] Univ Copenhagen, Fac Hlth Sci, Dept Cellular & Mol Med, Copenhagen, Denmark. RP Bissell, MJ (reprint author), Ernest Orland Lawrence Berkeley Natl Lab, Div Life Sci, 1 Cyclotron Rd,Mailstop 977R225A, Berkeley, CA 94720 USA. EM ARizki@vcu.edu; MJBissell@lbl.gov RI Jensen, Roy/B-9739-2011 OI Jensen, Roy/0000-0003-4430-2281 FU NCI NIH HHS [P50 CA058207, CA098131, CA50519, CA58207, CA64786, CA78731, CA80067, CA88858, P50 CA098131, R01 CA050519, R01 CA064786, R01 CA078731, R01 CA078731-07, R01 CA088858, R37 CA050519, R37 CA064786]; NIA NIH HHS [P01 AG017242]; NIEHS NIH HHS [U01 ES011044] NR 57 TC 83 Z9 84 U1 1 U2 9 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 0008-5472 J9 CANCER RES JI Cancer Res. PD MAR 1 PY 2008 VL 68 IS 5 BP 1378 EP 1387 DI 10.1158/0008-5472.CAN-07-2225 PG 10 WC Oncology SC Oncology GA 271PW UT WOS:000253802200018 PM 18316601 ER PT J AU Bratlie, KM Li, YM Larsson, R Somorjai, GA AF Bratlie, Kaitlin M. Li, Yimin Larsson, Ragnar Somorjai, Gabor A. TI Compensation effect of benzene hydrogenation on Pt(111) and Pt(100) analyzed by the selective energy transfer model SO CATALYSIS LETTERS LA English DT Article DE catalytic reaction; C6 hydrocarbons; Pt(111); Pt(100); hydrogenation; compensation effect; isokinetic temperature; benzene; selective energy transfer model ID SUM-FREQUENCY GENERATION; HETEROGENEOUS CATALYSIS; VIBRATIONAL SPECTROSCOPY; ACTIVATION-ENERGIES; PRESSURE; DECOMPOSITION; MECHANISM; SURFACES; SITE AB Kinetic measurements at low temperatures (310-360 K) using gas chromatography (GC) for benzene hydrogenation on Pt(100) and Pt(111) single crystal surfaces have been carried out at Torr pressures. These kinetic measurements demonstrated a linear compensation effect for the production of cyclohexane. A detailed application of the model of selective energy transfer to the experimentally obtained results yields the vibrational frequency of the adsorbate leading to reaction. This frequency is attributed to ring distortion modes. The vibrational frequency of the heat bath, or catalyst, is ascribed to a Pt-H mode. An approximate heat of adsorption of the reacting molecule is also calculated from the model. C1 [Bratlie, Kaitlin M.; Li, Yimin; Larsson, Ragnar; Somorjai, Gabor A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Bratlie, Kaitlin M.; Li, Yimin; Somorjai, Gabor A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Larsson, Ragnar; Somorjai, Gabor A.] Lund Univ, S-22100 Lund, Sweden. RP Somorjai, GA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM somorjai@socrates.berkeley.edu RI Bratlie, Kaitlin/A-1133-2009; Li, Yimin/F-5817-2012; Li, Yimin/F-5821-2012 NR 28 TC 11 Z9 11 U1 4 U2 26 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1011-372X J9 CATAL LETT JI Catal. Lett. PD MAR PY 2008 VL 121 IS 3-4 BP 173 EP 178 DI 10.1007/s10562-007-9372-6 PG 6 WC Chemistry, Physical SC Chemistry GA 259LM UT WOS:000252940800001 ER PT J AU Yan, WF Ma, Z Mahurin, SM Jiao, J Hagaman, EW Overbury, SH Dai, S AF Yan, Wen Fu Ma, Zhen Mahurin, Shannon M. Jiao, Jian Hagaman, Edward W. Overbury, Steven H. Dai, Sheng TI Novel Au/TiO2/Al2O3 center dot xH(2)O catalysts for CO oxidation SO CATALYSIS LETTERS LA English DT Article DE gold catalysts; nanoparticles; TiO2; Al2O3; CO oxidation; activity; promotion ID GOLD NANOPARTICLES; AU/AL2O3 CATALYSTS; MQMAS NMR; AU NANOPARTICLES; CARBON-MONOXIDE; AL-27 MQMAS; TEMPERATURE; TIO2; SILICA; IMPREGNATION AB Au/Al2O3 center dot xH(2)O and Au/TiO2/Al2O3 center dot xH(2)O (x = 0-3) catalysts were prepared by assembling gold nanoparticles on neat and TiO2-modified Al2O3, AlOOH, and Al(OH)(3) supports, and their catalytic activity in CO oxidation was tested either as synthesized or after on-line pretreatment in O-2-He at 500 degrees C. A promotional effect of TiO2 on the activity of gold catalysts was observed upon 500 degrees C-pretreatment. The catalyst stability as a function of time on stream was tested in the absence or presence of H-2, and physiochemical characterization applying BET, ICP-OES, XRD, TEM, and Al-27 MAS NMR was conducted. C1 [Yan, Wen Fu; Ma, Zhen; Mahurin, Shannon M.; Jiao, Jian; Hagaman, Edward W.; Overbury, Steven H.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Yan, Wen Fu] Jilin Univ, Coll Chem, State Key Lab Inorgan Synthet & Preparat Chem, Changchun 130012, Peoples R China. RP Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM dais@ornl.gov RI Ma, Zhen/F-1348-2010; Overbury, Steven/C-5108-2016; Dai, Sheng/K-8411-2015 OI Ma, Zhen/0000-0002-2391-4943; Overbury, Steven/0000-0002-5137-3961; Dai, Sheng/0000-0002-8046-3931 NR 52 TC 17 Z9 18 U1 1 U2 17 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1011-372X EI 1572-879X J9 CATAL LETT JI Catal. Lett. PD MAR PY 2008 VL 121 IS 3-4 BP 209 EP 218 DI 10.1007/s10562-007-9369-1 PG 10 WC Chemistry, Physical SC Chemistry GA 259LM UT WOS:000252940800005 ER PT J AU Calloway, TB AF Calloway, T. Bond, Jr. TI What are chemical engineers doing about energy? SO CHEMICAL ENGINEERING PROGRESS LA English DT Article RP Calloway, TB (reprint author), Savannah River Natl Lab, 719-18A Savannah River Site, Aiken, SC 29808 USA. EM bond.calloway@srnl.doe.gov NR 0 TC 2 Z9 2 U1 0 U2 1 PU AMER INST CHEMICAL ENGINEERS PI NEW YORK PA 3 PARK AVE, NEW YORK, NY 10016-5901 USA SN 0360-7275 J9 CHEM ENG PROG JI Chem. Eng. Prog. PD MAR PY 2008 VL 104 IS 3 BP S2 EP S3 PG 2 WC Engineering, Chemical SC Engineering GA 275LX UT WOS:000254074300038 ER PT J AU Ferrando, R Jellinek, J Johnston, RL AF Ferrando, Riccardo Jellinek, Julius Johnston, Roy L. TI Nanoalloys: From theory to applications of alloy clusters and nanoparticles SO CHEMICAL REVIEWS LA English DT Review ID CORE-SHELL NANOPARTICLES; EMBEDDED-ATOM-METHOD; SIMPLE METAL-CLUSTERS; NI-AL CLUSTERS; BIMETALLIC NANOCLUSTER CATALYSTS; TRANSMISSION ELECTRON-MICROSCOPY; DENSITY-FUNCTIONAL CALCULATIONS; RAY PHOTOELECTRON-SPECTROSCOPY; INORGANIC COLLOIDAL PARTICLES; SURFACE-SANDWICH SEGREGATION C1 [Ferrando, Riccardo] Univ Genoa, Dipartimento Fis, INFM, I-16146 Genoa, Italy. [Ferrando, Riccardo] CNR, IMEM, I-16146 Genoa, Italy. [Jellinek, Julius] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. [Johnston, Roy L.] Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England. RP Ferrando, R (reprint author), Univ Genoa, Dipartimento Fis, INFM, Via Dodecaneso 33, I-16146 Genoa, Italy. EM fet-rando@fisica.unige.it RI Ferrando, Riccardo /C-4066-2011; Johnston, Roy/H-2281-2014 OI Ferrando, Riccardo /0000-0003-2750-9061; Johnston, Roy/0000-0003-4019-9280 NR 504 TC 1608 Z9 1625 U1 108 U2 957 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0009-2665 EI 1520-6890 J9 CHEM REV JI Chem. Rev. PD MAR PY 2008 VL 108 IS 3 BP 845 EP 910 DI 10.1021/cr040090g PG 66 WC Chemistry, Multidisciplinary SC Chemistry GA 273QW UT WOS:000253947800001 PM 18335972 ER PT J AU Crichton, H Klippenstein, S AF Crichton, Hilary Klippenstein, Stephen TI Model behaviour SO CHEMISTRY WORLD LA English DT Editorial Material C1 [Klippenstein, Stephen] Argonne Natl Lab, Argonne, IL 60439 USA. NR 0 TC 0 Z9 0 U1 0 U2 2 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-7604 J9 CHEM WORLD-UK JI Chem. World PD MAR PY 2008 VL 5 IS 3 BP 38 EP 38 PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 274RJ UT WOS:000254018300031 ER PT J AU Boparai, HK Comfort, SD Shea, PJ Szecsody, JE AF Boparai, H. K. Comfort, S. D. Shea, P. J. Szecsody, J. E. TI Remediating explosive-contaminated groundwater by in situ redox manipulation (ISRM) of aquifer sediments SO CHEMOSPHERE LA English DT Article DE dithionite; sediments; degradation; RDX; HMX; TNT ID REDUCTIVE DECHLORINATION; CHLORINATED ETHYLENES; FERRUGINOUS SMECTITE; CLAY-MINERALS; IRON; SOIL; TRANSFORMATION; FE(II); SUSPENSIONS; REACTIVITY AB In situ chemical reduction of clays and iron oxides in subsurface environments is an emerging technology for treatment of contaminated groundwater. Our objective was to determine the efficacy of dithionite-reduced sediments from the perched Pantex Aquifer (Amarillo, TX) to abiotically degrade the explosives RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine), HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine), and TNT (2,4,6-trinitrotoluene). The effects of dithionite/buffer concentrations, sediments-solution ratios, and the contribution of Fe(II) were evaluated in batch experiments. Results showed that reduced Pantex sediments were highly effective in degrading all three high explosives. Degradation rates increased with increasing dithionite/buffer concentrations and soil to solution ratios (1:80-1:10 w/v). When Fe(II) was partially removed from the reduced sediments by washing (citrate-bicarbonate buffer), RDX degradation slowed, but degradation efficiency could be restored by adding Fe(II) back to the treated sediments and maintaining an alkaline pH. These data support in situ redox manipulation as a remedial option for treating explosive-contaminated groundwater at the Pantex site. Published by Elsevier Ltd. C1 [Boparai, H. K.; Comfort, S. D.; Shea, P. J.] Univ Nebraska, Sch Nat Resources, Lincoln, NE 68583 USA. [Shea, P. J.] Univ Nebraska, Med Ctr, Dept Environm Agr & Occupat Hlth, Omaha, NE 68198 USA. [Szecsody, J. E.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Comfort, SD (reprint author), Univ Nebraska, Sch Nat Resources, Lincoln, NE 68583 USA. EM scomfort@unl.edu RI Boparai, Hardiljeet /H-5544-2013 OI Boparai, Hardiljeet /0000-0002-0068-337X NR 32 TC 22 Z9 22 U1 4 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0045-6535 J9 CHEMOSPHERE JI Chemosphere PD MAR PY 2008 VL 71 IS 5 BP 933 EP 941 DI 10.1016/j.chemosphere.2007.11.001 PG 9 WC Environmental Sciences SC Environmental Sciences & Ecology GA 286DW UT WOS:000254827000015 PM 18086486 ER PT J AU Shi, JR Chen, HB Tang, CX Zheng, SX Li, DR AF Shi Jia-Ru Chen Huai-Bi Tang Chuan-Xiang Zheng Shu-Xin Li, Derun TI LOM and HOM damping study in a superconducting deflecting cavity for ALS at LBNL SO CHINESE PHYSICS C LA English DT Article DE deflecting cavity; lower order mode; impedance calculation; HOM damping AB Superconducting deflecting cavities can be used in synchrotron light source to generate subpico-second X-ray pulses while the impedance of the lower order modes (LOM) and higher order modes (HOM) in the cavity should be kept below an accepted level to avoid beam instability. These modes can be damped by adding waveguide on beam pipe. Detailed simulation of Q in CST Microwave Studio is introduced and experiment results on an aluminum model cavity with damping waveguide are reported to make a comparison. C1 [Shi Jia-Ru; Chen Huai-Bi; Tang Chuan-Xiang; Zheng Shu-Xin] Tsinghua Univ, Dept Engn Phys, Beijing 100084, Peoples R China. [Li, Derun] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Shi, JR (reprint author), Tsinghua Univ, Dept Engn Phys, Beijing 100084, Peoples R China. EM shijiaru00@mails.tsinghua.edu.cn RI ZHENG, SHUXIN/I-3539-2016 NR 10 TC 2 Z9 2 U1 1 U2 3 PU SCIENCE CHINA PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 1674-1137 J9 CHINESE PHYS C JI Chin. Phys. C PD MAR PY 2008 VL 32 IS 3 BP 205 EP 208 PG 4 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 270VP UT WOS:000253748600009 ER PT J AU Bonfils, C Duffy, PB Santer, BD Wigley, TML Lobell, DB Phillips, TJ Doutriaux, C AF Bonfils, Celine Duffy, Philip B. Santer, Benjamin D. Wigley, Tom M. L. Lobell, David B. Phillips, Thomas J. Doutriaux, Charles TI Identification of external influences on temperatures in California SO CLIMATIC CHANGE LA English DT Article ID CLIMATE-CHANGE; REGIONAL-SCALE; GREENHOUSE-GAS; UNITED-STATES; TRENDS; ATTRIBUTION; SOLAR AB We use nine different observational datasets to estimate California-average temperature trends during the periods 1950-1999 and 1915-2000. Observed results are compared to trends from a suite of climate model simulations of natural internal climate variability. On the longer (86-year) timescale, increases in annual-mean surface temperature in all observational datasets are consistently distinguishable from climate noise. On the shorter (50-year) timescale, results are sensitive to the choice of observational dataset. For both timescales, the most robust results are large positive trends in mean and maximum daily temperatures in late winter/early spring, as well as increases in minimum daily temperatures from January to September. These trends are inconsistent with model-based estimates of natural internal climate variability, and thus require one or more external forcing agents to be explained. Observational datasets with adjustments for urbanization effects do not yield markedly different results from unadjusted data. Our findings suggest that the warming of Californian winters over the twentieth century is associated with human-induced changes in large-scale atmospheric circulation. We hypothesize that the lack of a detectable increase in summertime maximum temperature arises from a cooling associated with large-scale irrigation. This cooling may have, until now, counteracted summertime warming induced by increasing greenhouse gases effects. C1 [Bonfils, Celine; Duffy, Philip B.; Santer, Benjamin D.; Lobell, David B.; Phillips, Thomas J.; Doutriaux, Charles] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Bonfils, Celine; Duffy, Philip B.] Univ Calif, Merced, CA USA. [Wigley, Tom M. L.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. RP Bonfils, C (reprint author), Lawrence Livermore Natl Lab, POB 808 L-103, Livermore, CA 94550 USA. EM bonfils2@llnl.gov RI Santer, Benjamin/F-9781-2011; Bonfils, Celine/H-2356-2012 OI Bonfils, Celine/0000-0002-4674-5708 NR 34 TC 27 Z9 27 U1 2 U2 20 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 J9 CLIMATIC CHANGE JI Clim. Change PD MAR PY 2008 VL 87 SU 1 BP S43 EP S55 DI 10.1007/s10584-007-9374-9 PG 13 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 288LJ UT WOS:000254987600004 ER PT J AU Franco, G Sanstad, AH AF Franco, Guido Sanstad, Alan H. TI Climate change and electricity demand in California SO CLIMATIC CHANGE LA English DT Article ID FOLSOM LAKE RESPONSE; ENERGY DEMAND; UNITED-STATES; CONSUMPTION; METHODOLOGY; SCENARIOS AB The potential effect of climate change on California's electric power system is an issue of growing interest and importance to the state's policy makers. Climate change-induced temperature increases may exacerbate existing stresses on this system. Detailed recent data are used to estimate the relationships between temperature and both electricity consumption and peak demand at a sample of locations around California. These results are combined with new projections of regional climate change affecting California obtained by statistically downscaling recent global projections generated by two general circulation models, to yield estimates of potential impacts of future temperature changes on electricity consumption and peak demand, and illustrative economic cost estimates in several cases. Both current and prospective coping strategies, and priorities for further research, are summarized. C1 [Franco, Guido] Calif Energy Commiss, Publ Interest Energy Res Program, Sacramento, CA 95814 USA. [Sanstad, Alan H.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Franco, G (reprint author), Calif Energy Commiss, Publ Interest Energy Res Program, 1516 9th St, Sacramento, CA 95814 USA. EM gfranco@energy.state.ca.us NR 26 TC 34 Z9 34 U1 1 U2 3 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 J9 CLIMATIC CHANGE JI Clim. Change PD MAR PY 2008 VL 87 SU 1 BP S139 EP S151 DI 10.1007/s10584-007-9364-y PG 13 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 288LJ UT WOS:000254987600010 ER PT J AU Fried, JS Gilless, JK Riley, WJ Moody, TJ de Blas, CS Hayhoe, K Moritz, M Stephens, S Torn, M AF Fried, Jeremy S. Gilless, J. Keith Riley, William J. Moody, Tadashi J. de Blas, Clara Simon Hayhoe, Katharine Moritz, Max Stephens, Scoff Torn, Margaret TI Predicting the effect of climate change on wildfire behavior and initial attack success SO CLIMATIC CHANGE LA English DT Article ID PROTECTION PLANNING-MODEL; WILDLAND FIRE; STOCHASTIC REPRESENTATION; CALIFORNIA; SIMULATION AB This study focused on how climate change-induced effects on weather will translate into changes in wildland fire severity and outcomes in California, particularly on the effectiveness of initial attack at limiting the number of fires that escape initial attack. The results indicate that subtle shifts in fire behavior of the sort that might be induced by the climate changes anticipated for the next century are of sufficient magnitude to generate an appreciable increase in the number of fires that escape initial attack. Such escapes are of considerable importance in wildland fire protection planning, given the high cost to society of a catastrophic escape like those experienced in recent decades in the Berkeley-Oakland, Santa Barbara, San Diego, or Los Angeles areas. However, at least for the three study areas considered, it would appear that relatively modest augmentations to existing firefighting resources might be sufficient to compensate for change-induced changes in wildland fire outcomes. C1 [Gilless, J. Keith] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Fried, Jeremy S.] USDA, Forest Serv Pacific NW Res Stn, Portland, OR USA. [Riley, William J.; Torn, Margaret] Lawrence Berkeley Natl Lab Ctr Isotope Geochem, Berkeley, CA USA. [Moody, Tadashi J.; Moritz, Max; Stephens, Scoff] Univ Calif Berkeley, Berkeley, CA 94720 USA. [de Blas, Clara Simon] Univ Rey Juan Carlos, Madrid, Spain. [Hayhoe, Katharine] ATMOS Res & Consulting, Lubbock, TX USA. RP Gilless, JK (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA. EM gilless@nature.berkeley.edu RI Riley, William/D-3345-2015; Torn, Margaret/D-2305-2015; OI Riley, William/0000-0002-4615-2304; Simon de Blas, Clara/0000-0002-6963-1295 NR 19 TC 13 Z9 13 U1 2 U2 20 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 J9 CLIMATIC CHANGE JI Clim. Change PD MAR PY 2008 VL 87 SU 1 BP S251 EP S264 DI 10.1007/s10584-007-9360-2 PG 14 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 288LJ UT WOS:000254987600016 ER PT J AU Purkey, DR Joyce, B Vicuna, S Hanemann, MW Dale, LL Yates, D Dracup, JA AF Purkey, D. R. Joyce, B. Vicuna, S. Hanemann, M. W. Dale, L. L. Yates, D. Dracup, J. A. TI Robust analysis of future climate change impacts on water for agriculture and other sectors: a case study in the Sacramento Valley SO CLIMATIC CHANGE LA English DT Article ID PRIORITY-DRIVEN; UNITED-STATES; DEMAND-DRIVEN; CALIFORNIA; WEAP21 AB As part of the 2006 Climate Change Report to Governor Schwarzenegger and the California Legislature, an application of the Water Evaluation and Planning (WEAP) system in the Sacramento River Basin was deployed to look at the impact of climate change on agricultural water management and the potential for adaptation. The WEAP system includes a dynamically integrated rainfall runoff hydrology module that generates the components of the hydrologic cycle from input climate time series. This allows for direct simulation of water management responses to climate change without resorting to perturbations of historically observed hydrologic conditions. In the Sacramento River Basin, the four climate time series adopted for the 2006 Climate Change Report were used to simulate agricultural water management without any adaptation and with adaptation in terms of improvements in irrigation efficiency and shifts in cropping patterns during dry periods. These adaptations resulted in lower overall water demands in the agricultural sector, to levels observed during the recent past, and associated reductions in groundwater pumping and increases in surface water allocations to other water use sectors. C1 [Purkey, D. R.; Joyce, B.] Stockholm Environm Inst US Ctr, Davis, CA 95616 USA. [Vicuna, S.; Dracup, J. A.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Hanemann, M. W.] Univ Calif Berkeley, Dept Agr & Resource Econ, Berkeley, CA 94720 USA. [Dale, L. L.] Univ Calif Berkeley, Environm Energy Technol Div, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Yates, D.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. RP Purkey, DR (reprint author), Stockholm Environm Inst US Ctr, 133 D St,Suite F, Davis, CA 95616 USA. EM david.purkey@sei.se NR 9 TC 32 Z9 32 U1 2 U2 37 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 J9 CLIMATIC CHANGE JI Clim. Change PD MAR PY 2008 VL 87 SU 1 BP S109 EP S122 DI 10.1007/s10584-007-9375-8 PG 14 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 288LJ UT WOS:000254987600008 ER PT J AU Vicuna, S Leonardson, R Hanemann, MW Dale, LL Dracup, JA AF Vicuna, S. Leonardson, R. Hanemann, M. W. Dale, L. L. Dracup, J. A. TI Climate change impacts on high elevation hydropower generation in California's Sierra Nevada: a case study in the Upper American River SO CLIMATIC CHANGE LA English DT Article ID WATER-RESOURCES; RESERVOIR MANAGEMENT; CHANGE SCENARIOS; HYDROLOGY; OPERATION; BASIN AB Climate change is likely to affect the generation of energy from California's high-elevation hydropower systems. To investigate these impacts, this study formulates a linear programming model of an 11-reservoir hydroelectric system operated by the Sacramento Municipal Utility District in the Upper American River basin. Four sets of hydrologic scenarios are developed using the Variable Infiltration Capacity model combined with climatic output from two general circulation models under two greenhouse-gas emissions scenarios. Power generation and revenues fall under two of the four climate change scenarios, as a consequence of drier hydrologic conditions. Energy generation is primarily limited by annual volume of streamflow, and is affected more than revenues, reflecting the ability of the system to store water when energy prices are low for use when prices are high (July through September). Power generation and revenues increase for two of the scenarios, which predict wetter hydrologic conditions. In this case, power generation increases more than revenues indicating that the system is using most of its available capacity under current hydrologic conditions. Hydroelectric systems located in basins with hydrograph centroids occuring close to summer months (July through September) are likely to be affected by the changes in hydrologic timing associated with climate change (e.g., earlier snowmelts and streamflows) if the systems lack sufficient storage capacity. High Sierra hydroelectric systems with sufficiently large storage capacity should not be affected by climate-induced changes in hydrologic timing. C1 [Vicuna, S.; Leonardson, R.; Dracup, J. A.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Hanemann, M. W.] Univ Calif Berkeley, Dept Agr & Resource Econ, Berkeley, CA 94720 USA. [Dale, L. L.] Univ Calif Berkeley, Environm Energy Technol Div, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Vicuna, S (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, 612 Davis Hall,Mail Code 1710, Berkeley, CA 94720 USA. EM svicuna@berkeley.edu NR 16 TC 32 Z9 32 U1 0 U2 20 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 J9 CLIMATIC CHANGE JI Clim. Change PD MAR PY 2008 VL 87 SU 1 BP S123 EP S137 DI 10.1007/s10584-007-9365-x PG 15 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 288LJ UT WOS:000254987600009 ER PT J AU Beckman, P Iskra, K Yoshii, K Coghlan, S Nataraj, A AF Beckman, Pete Iskra, Kamil Yoshii, Kazutomo Coghlan, Susan Nataraj, Aroon TI Benchmarking the effects of operating system interference on extreme-scale parallel machines SO CLUSTER COMPUTING-THE JOURNAL OF NETWORKS SOFTWARE TOOLS AND APPLICATIONS LA English DT Article; Proceedings Paper CT IEEE International Conference on Cluster Computing CY SEP 25-28, 2006 CL Barcelona, SPAIN SP IEEE DE microbenchmark; noise; petascale; synchronicity AB We investigate operating system noise, which we identify as one of the main reasons for a lack of synchronicity in parallel applications. Using a microbenchmark, we measure the noise on several contemporary platforms and find that, even with a general-purpose operating system, noise can be limited if certain precautions are taken. We then inject artificially generated noise into a massively parallel system and measure its influence on the performance of collective operations. Our experiments indicate that on extreme-scale platforms, the performance is correlated with the largest interruption to the application, even if the probability of such an interruption on a single process is extremely small. We demonstrate that synchronizing the noise can significantly reduce its negative influence. C1 [Beckman, Pete; Iskra, Kamil; Yoshii, Kazutomo; Coghlan, Susan] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Nataraj, Aroon] Univ Oregon, Dept Comp & Informat Sci, Eugene, OR 97403 USA. RP Iskra, K (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM beckman@mcs.anl.gov; iskra@mcs.anl.gov; kazutomo@mcs.anl.gov; smc@mcs.anl.gov; anataraj@cs.uoregon.edu NR 19 TC 18 Z9 20 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1386-7857 EI 1573-7543 J9 CLUSTER COMPUT JI Cluster Comput. PD MAR PY 2008 VL 11 IS 1 BP 3 EP 16 DI 10.1007/s10586-007-0047-2 PG 14 WC Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA 269WH UT WOS:000253681000002 ER PT J AU Shet, AG Sadayappan, P Bernholdt, DE Nieplocha, J Tipparaju, V AF Shet, Aniruddha G. Sadayappan, P. Bernholdt, David E. Nieplocha, Jarek Tipparaju, Vinod TI A framework for characterizing overlap of communication and computation in parallel applications SO CLUSTER COMPUTING-THE JOURNAL OF NETWORKS SOFTWARE TOOLS AND APPLICATIONS LA English DT Article; Proceedings Paper CT IEEE International Conference on Cluster Computing CY SEP 25-28, 2006 CL Barcelona, SPAIN SP IEEE DE communication-computation overlap; latency hiding; performance instrumentation and monitoring; parallel applications AB Effective overlap of computation and communication is a well understood technique for latency hiding and can yield significant performance gains for applications on high-end computers. In this paper, we propose an instrumentation framework for message-passing systems to characterize the degree of overlap of communication with computation in the execution of parallel applications. The inability to obtain precise time-stamps for pertinent communication events is a significant problem, and is addressed by generation of minimum and maximum bounds on achieved overlap. The overlap measures can aid application developers and system designers in investigating scalability issues. The approach has been used to instrument two MPI implementations as well as the ARMCI system. The implementation resides entirely within the communication library and thus integrates well with existing approaches that operate outside the library. The utility of the framework is demonstrated by analyzing communication-computation overlap for micro-benchmarks and the NAS benchmarks, and the insights obtained are used to modify the NAS SP benchmark, resulting in improved overlap. C1 [Shet, Aniruddha G.; Sadayappan, P.] Ohio State Univ, Dept Comp Sci & Engn, Columbus, OH 43210 USA. [Shet, Aniruddha G.; Bernholdt, David E.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Nieplocha, Jarek; Tipparaju, Vinod] Pacific NW Natl Lab, Appl Comp Sci Grp, Richland, WA 99352 USA. RP Shet, AG (reprint author), Ohio State Univ, Dept Comp Sci & Engn, Columbus, OH 43210 USA. EM shet@cse.ohio-state.edu; saday@cse.ohio-state.edu; bernholdtde@ornl.gov; jarek.nieplocha@pnl.gov; vinod.tipparaju@pnl.gov NR 23 TC 6 Z9 6 U1 0 U2 10 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1386-7857 J9 CLUSTER COMPUT JI Cluster Comput. PD MAR PY 2008 VL 11 IS 1 BP 75 EP 90 DI 10.1007/s10586-007-0046-3 PG 16 WC Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA 269WH UT WOS:000253681000007 ER PT J AU Nordman, B Christensen, K AF Nordman, Bruce Christensen, Ken TI Save energy in Ethernet devices SO COMMUNICATIONS NEWS LA English DT Editorial Material C1 [Nordman, Bruce] Lawrence Berkeley Calif Natl Lab, Berkeley, CA 94720 USA. [Christensen, Ken] Univ S Florida, Tampa, FL USA. RP Nordman, B (reprint author), Lawrence Berkeley Calif Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU NELSON PUBLISHING PI NOKOMIS PA 2500 NORTH TAMIAMI TRAIL, NOKOMIS, FL 34275-3482 USA SN 0010-3632 J9 COMMUN NEWS JI Commun. News PD MAR PY 2008 VL 45 IS 3 BP 40 EP 40 PG 1 WC Telecommunications SC Telecommunications GA 275MC UT WOS:000254075000012 ER PT J AU Weronski, P Jiang, Y Rasmussen, S AF Weronski, Pawel Jiang, Yi Rasmussen, Steew TI Application of molecular dynamics computer simulations in the design of a minimal self-replicating molecular machine SO COMPLEXITY LA English DT Article DE molecular self-assembly; artificial life; lipid bilayer; peptide nucleic acid; micellar dynamics AB It is commonly agreed that a chemical assembly of molecules can be considered alive if it can ingest resources and convert them into building blocks; has the ability to grow and self-reproduce; and can evolve. In the design proposed by Rasmussen and Chen (Science 2004, 303, 963) the assembly or protocell could be as simple as a small micellar surfactant aggregate acting as a container, anchoring an informational molecule to its exterior and incorporating a metabolism within the oily interior We present several examples of modeling such a system with molecular dynamics computer simulations. (C) 2008 Wiley Periodicals, Inc. C1 [Weronski, Pawel; Jiang, Yi] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Weronski, Pawel; Jiang, Yi] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Weronski, Pawel] Polish Acad Sci, Inst Catalysis & Surface Chem, PL-30239 Krakow, Poland. [Rasmussen, Steew] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. RP Weronski, P (reprint author), Los Alamos Natl Lab, Div Theoret, POB 1663, Los Alamos, NM 87545 USA. EM ncwerons@cyf-kr.edu.pl NR 10 TC 0 Z9 0 U1 1 U2 6 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 1076-2787 J9 COMPLEXITY JI Complexity PD MAR-APR PY 2008 VL 13 IS 4 BP 10 EP 17 DI 10.1002/cplx.20212 PG 8 WC Mathematics, Interdisciplinary Applications; Multidisciplinary Sciences SC Mathematics; Science & Technology - Other Topics GA 277BF UT WOS:000254187000002 ER PT J AU Allison, J Asai, M Barrand, G Donszelmann, M Minamimoto, K Perl, J Tanaka, S Tcherniaev, E Tinslay, J AF Allison, J. Asai, M. Barrand, G. Donszelmann, M. Minamimoto, K. Perl, J. Tanaka, S. Tcherniaev, E. Tinslay, J. TI The GEANT4 Visualisation System SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE simulation; particle interactions; geometrical modelling; graphics; visualisation; ray tracing; DAWN; HepRep; OpenGL; open inventor; VRML; software engineering; object-oriented technology; distributed software development AB The GEANT4 Visualisation System is a multi-driver graphics system designed to serve the GEANT4 Simulation Toolkit. It is aimed at the visualisation of GEANT4 data, primarily detector descriptions and simulated particle trajectories and hits. It can handle a variety of graphical technologies simultaneously and interchangeably, allowing the user to choose the visual representation most appropriate to requirements. It conforms to the low-level GEANT4 abstract graphical user interfaces and introduces new abstract classes from which the various drivers are derived and that can be straightforwardly extended, for example, by the addition of a new driver. It makes use of an extendable class library of models and filters for data representation and selection. The GEANT4 Visualisation System supports a rich set of interactive commands based on the GEANT4 command system. It is included in the GEANT4 code distribution and maintained and documented like other components of GEANT4. (C) 2007 Elsevier B.V. All rights reserved. C1 [Allison, J.] Univ Manchester, Sch Phys & Astron, Manchester M13 9PL, Lancs, England. [Asai, M.; Donszelmann, M.; Perl, J.; Tinslay, J.] Stanford Linear Accelerator Ctr, Stanford, CA USA. [Barrand, G.] IN2P3 LAL, Orsay, France. [Minamimoto, K.] Inst Computat Fluid Dynam, Tokyo, Japan. [Tanaka, S.] Ritsumeikan Univ, Kyoto, Japan. [Tcherniaev, E.] European Org Nucl Res CERN, Zurich, Switzerland. RP Allison, J (reprint author), Univ Manchester, Sch Phys & Astron, Manchester M13 9PL, Lancs, England. EM John.Allison@manchester.ac.uk RI Tcherniaev, Evgueni/G-3453-2016 OI Tcherniaev, Evgueni/0000-0002-3685-0635 NR 7 TC 9 Z9 9 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD MAR 1 PY 2008 VL 178 IS 5 BP 331 EP 365 DI 10.1016/j.cpc.2007.09.010 PG 35 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 281AV UT WOS:000254469400001 ER PT J AU Kwon, Y Omitaomu, OA Wang, GN AF Kwon, Yongjin Omitaomu, Olufemi A. Wang, Gi-Nam TI Data mining approaches for modeling complex electronic circuit design activities SO COMPUTERS & INDUSTRIAL ENGINEERING LA English DT Article DE PCB; support vector regression; electronic circuit design; adaptive modeling; predictive modeling ID SUPPORT VECTOR REGRESSION; MACHINE; NOISE AB A printed circuit board (PCB) is an essential part of modern electronic circuits. It is made of a flat panel of insulating materials with patterned copper foils that act as electric pathways for various components such as ICs, diodes, capacitors, resistors, and coils. The size of PCBs has been shrinking over the years, while the number of components mounted on these boards has increased considerably. This trend makes the design and fabrication of PCBs ever more difficult. At the beginning of design cycles, it is important to estimate the time to complete the steps required accurately, based on many factors such as the required parts, approximate board size and shape, and a rough sketch of schematics. Current approach uses multiple linear regression (MLR) technique for time and cost estimations. However, the need for accurate predictive models continues to grow as the technology becomes more advanced. In this paper, we analyze a large volume of historical PCB design data, extract some important variables, and develop predictive models based on the extracted variables using a data mining approach. The data mining approach uses an adaptive support vector regression (ASVR) technique; the benchmark model used is the MLR technique currently being used in the industry. The strengths of SVR for this data include its ability to represent data in high-dimensional space through kernel functions. The Computational results show that a data mining approach is a better prediction technique for this data. Our approach reduces computation time and enhances the practical applications of the SVR technique. (c) 2007 Elsevier Ltd. All rights reserved. C1 [Kwon, Yongjin; Wang, Gi-Nam] Ajou Univ, Div Ind & Informat Syst Engn, Suwon, South Korea. [Omitaomu, Olufemi A.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. RP Kwon, Y (reprint author), Ajou Univ, Div Ind & Informat Syst Engn, Suwon, South Korea. EM yk73@drexel.edu NR 26 TC 8 Z9 8 U1 0 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-8352 J9 COMPUT IND ENG JI Comput. Ind. Eng. PD MAR PY 2008 VL 54 IS 2 BP 229 EP 241 DI 10.1016/j.cie.2007.07.006 PG 13 WC Computer Science, Interdisciplinary Applications; Engineering, Industrial SC Computer Science; Engineering GA 265MM UT WOS:000253363300005 ER PT J AU Hendrickson, B Berry, JW AF Hendrickson, Bruce Berry, JonatHan W. TI Graph analysis with high-performance computing SO COMPUTING IN SCIENCE & ENGINEERING LA English DT Article AB Large, complex graphs arise in many settings including the Internet, social networks, and communication networks. To study such data sets, the authors explored the use of high-performance computing (HPC) for graph algorithms. They found that the challenges in these applications are quite different from those arising in traditional HPC applications and that massively multithreaded machines are well suited for graph problems. C1 [Hendrickson, Bruce; Berry, JonatHan W.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Hendrickson, B (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM bahendr@sandia.gov; jberry@sandia.gov NR 16 TC 8 Z9 8 U1 1 U2 2 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 MAR-APR PY 2008 VL 10 IS 2 BP 14 EP 19 DI 10.1109/MCSE.2008.56 PG 6 WC Computer Science, Interdisciplinary Applications SC Computer Science GA 263LO UT WOS:000253218800005 ER PT J AU Barkhudarov, PM Shah, PB Watkins, EB Doshi, DA Brinker, CJ Majewski, J AF Barkhudarov, Philip M. Shah, Pratik B. Watkins, Erik B. Doshi, Dhaval A. Brinker, C. Jeffrey Majewski, Jaroslaw TI Corrosion inhibition using superhydrophobic films SO CORROSION SCIENCE LA English DT Article DE aluminium; sputtered films; organic coatings; neutron reflectivity; saltwater corrosion ID PLANT-SURFACES; WATER; INTERFACE AB Neutron reflectivity (NR) was used to study the effectiveness of superhydrophobic (SH) films as corrosion inhibitors. A low-temperature, low-pressure technique was used to prepare a rough, highly porous organosilica aerogel-like film. UV/ozone treatments were used to control the surface coverage of hydrophobic organic ligands on the silica framework, allowing the contact angle with water to be continuously varied over the range of 160 degrees (SH) to <10 degrees (hydrophilic). Thin (similar to 5000 angstrom) nano-porous films were layered onto aluminium surfaces and submerged in 5 wt% NaCl in D2O. NR measurements were taken over time to observe interfacial changes in thickness, density, and roughness, and therefore monitor the corrosion of the metal. NR shows that the SH nature of the surface prevents infiltration of water into the porous SH film and thus limits the exposure of corrosive elements to the metal surface. Published by Elsevier Ltd. C1 [Barkhudarov, Philip M.; Watkins, Erik B.; Doshi, Dhaval A.; Majewski, Jaroslaw] Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. [Shah, Pratik B.; Brinker, C. Jeffrey] Univ New Mexico, Ctr Microengineered Mat, Albuquerque, NM 87106 USA. [Brinker, C. Jeffrey] Sandia Natl Labs, Albuquerque, NM 87106 USA. [Barkhudarov, Philip M.] Univ Utrecht, NL-3508 TC Utrecht, Netherlands. [Watkins, Erik B.] Univ Calif Davis, Davis, CA 95616 USA. RP Majewski, J (reprint author), Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, MS-H805, Los Alamos, NM 87545 USA. EM jarek@lanl.gov RI Lujan Center, LANL/G-4896-2012 NR 19 TC 84 Z9 89 U1 9 U2 77 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0010-938X J9 CORROS SCI JI Corrosion Sci. PD MAR PY 2008 VL 50 IS 3 BP 897 EP 902 DI 10.1016/j.corsci.2007.10.005 PG 6 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 283VV UT WOS:000254665500031 ER PT J AU Burke, JJ Dunne, B AF Burke, J. J. Dunne, B. TI Investigating the effectiveness of the Thies Clima "Septoria Timer" to schedule fungicide applications to control Mycosphaerella graminicola on winter wheat in Ireland SO CROP PROTECTION LA English DT Article DE Mycosphaerella graminicola; fungicides; winter wheat; spray timing; yield ID TRITICI; INFECTION; EPIDEMICS; BLOTCH; MODEL AB The effectiveness of an in-crop decision support system, the Thies Clima "Septoria Timer", to schedule fungicide applications for the control of Mycosphaerella graminicola in winter wheat was evaluated over five seasons, 2001-2005. Spray applications, based on the output from this instrument, were compared with routine two-spray fungicide programmes applied at growth stages 37 and 65, or three-spray programmes applied at growth stages 32, 39 and 65. Septoria infection periods, as defined by the "Septoria Timer", varied from 12 in the 2002 season to two in 2004. There were 12 spray applications based on output from the "Septoria Timer" over the 5-year period compared with 15 for the standard three-spray programme and six for the standard two-spray programme included in 2003-2005). Over the same period, there was a corresponding reduction of 41% in the load of active ingredient entering the environment. Pycnidia of M. graminicola were counted on infected leaves in 2002 and 2003. Scheduling fungicide applications according to the "Septoria Timer" significantly reduced the number of pycnidia on the flag leaf compared with a three-spray programme in 2002, but there was no effect in 2003. There were no significant differences in values for the flag leaf area under the disease progress curve (AUDPC) between the three fungicide scheduling protocols in 2002 and 2005. Also, there was no significant difference in AUDPC values between the "Septoria Timer" and the three-spray programme in 2003 and 2004. All fungicide programmes significantly increased grain yield each season. In 2001, applying fungicides scheduled by the "Septoria Timer" protocol resulted in significantly lower yield compared with fungicide applications scheduled by crop growth stage. There was no significant yield difference between the three fungicide scheduling protocols in 2002 and 2004. In 2003 and 2005, there was no significant yield difference between fungicide programmes guided by the "Septoria Timer" output and the standard three-spray programme. Grain-specific weight in all seasons, with the exception of 2004, was significantly enhanced by fungicide application compared with the untreated control. During 2001-2005, scheduling fungicides according to the "Septoria Timer" provided grain of similar quality to that from plots receiving the three-spray standard programme. (c) 2007 Elsevier Ltd. All rights reserved. C1 [Burke, J. J.; Dunne, B.] Oak Pk Crops Res Ctr, Teagasc, Carlow, Ireland. RP Burke, JJ (reprint author), Oak Pk Crops Res Ctr, Teagasc, Carlow, Ireland. EM jburke@oakpark.teagase.ie NR 18 TC 6 Z9 7 U1 3 U2 8 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0261-2194 J9 CROP PROT JI Crop Prot. PD MAR-MAY PY 2008 VL 27 IS 3-5 BP 710 EP 718 DI 10.1016/j.cropro.2007.10.007 PG 9 WC Agronomy SC Agriculture GA 272SW UT WOS:000253881100054 ER PT J AU Nagasawa, H Wilson, PE Chen, DJ Thompson, LH Bedford, JS Little, JB AF Nagasawa, Hatsumi Wilson, Paul E. Chen, David J. Thompson, Larry H. Bedford, Joel S. Little, John B. TI Low doses of alpha particles do not induce sister chromatid exchanges in bystander Chinese hamster cells defective in homologous recombination SO DNA REPAIR LA English DT Article DE homologous recombination; Rad51 paralogs; BRCA2; sister chromatid exchange; low dose; ionizing radiation; alpha particles; bystander effect ID STRAND-BREAK REPAIR; INTERSTRAND CROSS-LINKS; OXIDATIVE DNA-DAMAGE; MAMMALIAN-CELLS; IONIZING-RADIATION; FANCONI-ANEMIA; CHROMOSOMAL-ABERRATIONS; RAD51 PARALOGS; LOW FLUENCES; MITOMYCIN-C AB We reported previously that the homologous recombinational repair (HRR)-deficient Chinese hamster mutant cell line irs3 (deficient in the Rad51 paralog Rad51C) showed only a 50% spontaneous frequency of sister chromatid exchange (SCE) as compared to parental wild-type V79 cells. Furthermore, when irradiated with very low doses of alpha particles, SCEs were not induced in irs3 cells, as compared to a prominent bystander effect observed in V79 cells [H. Nagasawa, Y. Peng, P.F Wilson, Y.C. Lio, D.J. Chen, J.S. Bedford, J.B. Little, Role of homologous recombination in the alpha-particle-induced bystander effect for sister chromatid exchanges and chromosomal aberrations, Radiat. Res. 164 (2005) 141-147]. In the present study, we examined additional Chinese hamster cell lines deficient in the Rad51 paralogs Rad51C, Rad51D, Xrcc2, and Xrcc3 as well as another essential HRR protein, Brca2. Spontaneous SCE frequencies in non-irradiated wild-type cell lines CHO, AA8 and V79 were 0.33 SCE/chromosome, whereas two Rad51C-deficient cell lines showed only 0.16 SCE/chromosome. Spontaneous SCE frequencies in cell lines defective in Rad51D, Xrcc2, Xrcc3, and Brca2 ranged from 0.23 to 0.33 SCE/chromosome, 0-30% lower than wild-type cells. SCEs were induced significantly 20-50% above spontaneous levels in wild-type cells exposed to a mean dose of 1.3 mGy of alpha particles (<1% of nuclei traversed by an alpha particle). However, induction of SCEs above spontaneous levels was minimal or absent after alpha-particle irradiation in all of the HRR-deficient cell lines. These data suggest that Brca2 and the Rad51 paralogs contribute to DNA damage repair processes induced in bystander cells (presumably oxidative damage repair in S-phase cells) following irradiation with very low doses of alpha particles. (c) 2007 Elsevier B.V. All rights reserved. C1 [Little, John B.] Harvard Univ, Sch Publ Hlth, Ctr Radiat Sci & Environm Hlth, Boston, MA 02115 USA. [Nagasawa, Hatsumi; Bedford, Joel S.] Colorado State Univ, Dept Environm & Radiol Hlth Sci, Ft Collins, CO 80523 USA. [Wilson, Paul E.; Thompson, Larry H.] Lawrence Livermore Natl Lab, Biosci & Biotechnol Div, Livermore, CA 94551 USA. [Chen, David J.] Univ Texas SW Med Ctr Dallas, Dept Radiat Oncol, Dallas, TX 75390 USA. RP Little, JB (reprint author), Harvard Univ, Sch Publ Hlth, Ctr Radiat Sci & Environm Hlth, 665 Huntington Ave, Boston, MA 02115 USA. EM jlittle@hsph.harvard.edu FU NCI NIH HHS [CA112566] NR 59 TC 19 Z9 19 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1568-7864 J9 DNA REPAIR JI DNA Repair PD MAR 1 PY 2008 VL 7 IS 3 BP 515 EP 522 DI 10.1016/j.dnarep.2007.11.014 PG 8 WC Genetics & Heredity; Toxicology SC Genetics & Heredity; Toxicology GA 275MG UT WOS:000254075700016 PM 18182331 ER PT J AU Licciardi, JM Denoncourt, CL Finkel, RC AF Licciardi, J. M. Denoncourt, C. L. Finkel, R. C. TI Cosmogenic Cl-36 production rates from Ca spallation in Iceland SO EARTH AND PLANETARY SCIENCE LETTERS LA English DT Article DE Iceland; cosmogenic nuclides; chlorine; production rates; surface exposure ages ID DATED DEGLACIATION SURFACES; HE-3 PRODUCTION-RATES; HOLOCENE LAVA FLOWS; NUCLIDE PRODUCTION; TERRESTRIAL ROCKS; FIDALGO ISLANDS; SCALING FACTORS; EXPOSURE AGES; WHIDBEY; REEVALUATION AB Cosmogenic Cl-36 concentrations were measured in whole-rock basalt samples from twenty-one surface sites on four radiocarbon-dated postglacial lava flows in Iceland. The new Cl-36 data are derived from splits of rock from the same suite of calibration sites used to determine cosmogenic He-3 production rates in recent work, and thus allow a direct co-calibration of production rates for these two widely used terrestrial cosmogenic nuclides. Ca spallation is the dominant Cl-36 production reaction in our samples; hence the calibration exercise is focused on this production pathway. The four calibration flows yield mean Ca-spallation Cl-36 production rates that agree within one standard deviation. The grand mean Ca spallation production rate from all four calibration flows in Iceland is 57 +/- 5 atoms Cl-36 (g Ca)(-1) yr(-1) (+/- 1 sigma; normalized to sea level at high latitudes with the standard atmosphere) and falls within the range of values reported in previous Cl-36 calibration studies. We contend that the Ca-spallation Cl-36 production rates in Iceland are 17% higher than normalized values calibrated in western U.S., which is equivalent in direction and magnitude to the previously reported offset in calibrated He-3 production rates between these two regions. Relatively high terrestrial cosmogenic nuclide production rates in Iceland are interpreted to reflect the time-integrated impact of persistent low atmospheric pressure associated with the Icelandic Low. The new Cl-36 production rate calibrations contribute significantly to an understanding of the production systematics of this nuclide and enable accurate Cl-36 surface exposure dating in Iceland. (C) 2007 Elsevier B.V. All rights reserved. C1 [Licciardi, J. M.; Denoncourt, C. L.] Univ New Hampshire, Dept Earth Sci, Durham, NH 03824 USA. [Finkel, R. C.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. RP Licciardi, JM (reprint author), Univ New Hampshire, Dept Earth Sci, Durham, NH 03824 USA. EM joe.licciardi@unh.edu NR 42 TC 20 Z9 21 U1 0 U2 4 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 MAR 1 PY 2008 VL 267 IS 1-2 BP 365 EP 377 DI 10.1016/j.epsl.2007.11.036 PG 13 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 284CX UT WOS:000254684000032 ER PT J AU Polsky, R Harper, JC Wheeler, DR Brozik, SM AF Polsky, Ronen Harper, Jason C. Wheeler, David R. Brozik, Susan M. TI Multifunctional electrode arrays: Towards a universal detection platform SO ELECTROANALYSIS LA English DT Review DE biosensor; diazonium; electrode array; DNA and protein sensor; microsystem ID ELECTROCHEMICAL DETECTION; DIAZONIUM SALTS; GOLD ELECTRODES; REDUCTION; PROTEIN; DNA; FUNCTIONALIZATION; IMMOBILIZATION; NANOPARTICLES; IMMUNOASSAYS AB In this article we review recent work in our laboratory towards the realization of a multianalyte microelectrode detection platform capable of discriminating chemicals and different biomolecules simultaneously. The functionalization of electrodes with aryl diazonium salts provides an electrically addressable deposition procedure capable of immobilizing a wide range of molecules. We demonstrate control over surface density and electron transfer kinetics as well as the activation of individual electrodes in an array. The direct electrically-addressable immobilization of diazonium-modified proteins is shown to be suitable for the construction of multianalyte immunosensors and the immobilization of horseradish peroxidase leading to the direct electron transfer between the redox enzyme and the electrode. The use of catalytic nanoparticles leads to the construction of a reagent-less immunosensor and the simultaneous detection of DNA and proteins on the same electrode array is demonstrated. C1 [Polsky, Ronen; Harper, Jason C.; Wheeler, David R.; Brozik, Susan M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Brozik, SM (reprint author), Sandia Natl Labs, POB 5800,MS-0892, Albuquerque, NM 87185 USA. EM smbrozi@sandia.gov NR 24 TC 43 Z9 43 U1 2 U2 36 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1040-0397 J9 ELECTROANAL JI Electroanalysis PD MAR PY 2008 VL 20 IS 6 BP 671 EP 679 DI 10.1002/elan.200704129 PG 9 WC Chemistry, Analytical; Electrochemistry SC Chemistry; Electrochemistry GA 286AC UT WOS:000254816300012 ER PT J AU Dougherty, GM Rose, KA Tok, JBH Pannu, SS Chuang, FYS Sha, MY Chakarova, G Penn, SG AF Dougherty, George M. Rose, Klint A. Tok, Jeffrey B. -H. Pannu, Satinderpall S. Chuang, Frank Y. S. Sha, Michael Y. Chakarova, Gabriela Penn, Sharron G. TI The zeta potential of surface-functionalized metallic nanorod particles in aqueous solution SO ELECTROPHORESIS LA English DT Article DE aqueous solution; nanoparticle; nanorod; self-assembled monolayer; zeta potential ID ENHANCED RAMAN-SCATTERING; COLLOIDAL GOLD; OPTICAL-PROPERTIES; PLASMON RESONANCE; NANOPARTICLES; NANOWIRES; FLOW; ELECTROPHORESIS; MOLECULES; DNA AB Metallic nanoparticles suspended in aqueous solutions and functionalized with chemical and biological surface coatings are important elements in basic and applied nanoscience research. Many applications require an understanding of the electrokinetic or colloidal properties of such particles. We describe the results of experiments to measure the zeta potential of metallic nanorod particles in aqueous saline solutions, including the effects of pH, ionic strength, metallic composition, and surface functionalization state. Particle substrates tested include gold, silver, and palladium monometallic particles as well as gold/silver bimetallic particles. Surface functionalization conditions included 11-mercaptoundecanoic acid (MUA), mercaptoethanol (ME), and mercaptoethanesulfonic acid (MESA) self-assembled monolayers (SAMs), as well as MUA layers subsequently derivatized with proteins. For comparison, we present zeta potential data for typical charge-stabilized polystyrene particles. We compare experimental zeta potential data with theoretically predicted values for SAM-coated and bimetallic particles. The results of these studies are useful in predicting and controlling the aggregation, adhesion, and transport of functionalized metallic nanoparticles within microfluidic devices and other systems. C1 [Dougherty, George M.; Rose, Klint A.; Tok, Jeffrey B. -H.; Pannu, Satinderpall S.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Chuang, Frank Y. S.] Univ Calif Davis, Davis, CA 95616 USA. [Sha, Michael Y.; Chakarova, Gabriela; Penn, Sharron G.] Oxonica, Mountain View, CA USA. RP Rose, KA (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave,L-223, Livermore, CA 94551 USA. EM rose38@llnl.gov NR 58 TC 41 Z9 41 U1 8 U2 74 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0173-0835 EI 1522-2683 J9 ELECTROPHORESIS JI Electrophoresis PD MAR PY 2008 VL 29 IS 5 SI SI BP 1131 EP 1139 DI 10.1002/elps.200700448 PG 9 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 277EK UT WOS:000254195300017 PM 18246574 ER PT J AU Davey, VJ Glass, RJ AF Davey, Victoria J. Glass, Robert J. TI Rescinding community mitigation strategies in an influenza pandemic SO EMERGING INFECTIOUS DISEASES LA English DT Article ID INTERVENTIONS; ILLNESS AB Using a networked, agent-based computational model of a stylized community, we evaluated thresholds for rescinding 2 community mitigation strategies after an influenza pandemic. We ended child sequestering or all-community sequestering when illness incidence waned to thresholds of 0, 1, 2, or 3 cases in 7 days in 2 levels of pandemic severity. An unmitigated epidemic or strategy continuation for the epidemic duration served as control scenarios. The 0-case per 7-day rescinding threshold was comparable to the continuation strategy on infection and illness rates but reduced the number of days strategies would be needed by 6% to 32% in mild or severe pandemics. If cases recurred, strategies were resumed at a predefined 10-case trigger, and epidemic recurrence was thwarted. Strategies were most effective when used with high compliance and when combined with stringent rescinding thresholds. The need for strategies implemented for control of an influenza pandemic was reduced, without increasing illness rates. C1 [Davey, Victoria J.] Vet Hlth Adm, Washington, DC 20420 USA. [Davey, Victoria J.] Uniformed Serv Univ Hlth Sci, Bethesda, MD 20814 USA. [Glass, Robert J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Davey, VJ (reprint author), Vet Hlth Adm, Washington, DC 20420 USA. EM victoria.davey@va.gov NR 19 TC 15 Z9 15 U1 0 U2 1 PU CENTERS DISEASE CONTROL PI ATLANTA PA 1600 CLIFTON RD, ATLANTA, GA 30333 USA SN 1080-6040 J9 EMERG INFECT DIS JI Emerg. Infect. Dis PD MAR PY 2008 VL 14 IS 3 BP 365 EP 372 DI 10.3201/eid1403.070673 PG 8 WC Immunology; Infectious Diseases SC Immunology; Infectious Diseases GA 270BV UT WOS:000253695800001 PM 18325247 ER PT J AU Lange, RG Carroll, WP AF Lange, Robert G. Carroll, Wade P. TI Review of recent advances of radioisotope power systems SO ENERGY CONVERSION AND MANAGEMENT LA English DT Review DE radioisotope power systems; Radioisotope thermoelectric generator (RTG); Plutonium-238; space power systems; general purpose heat source (GPHS) AB Radioisotope power systems have demonstrated numerous advantages over other types of power supplies for long-lived, unattended applications in space and in remote terrestrial locations. Many especially challenging power applications can be satisfied by proper selection, design, and integration of the radioisotope heat source and the power conversion technologies that are now available or that can be developed. This paper provides a brief review of the factors influencing selection of radioisotopes and design of power systems, and discusses the current state of practice and future programmatic and technical challenges to continued use of radioisotope power systems in space. (c) 2007 Published by Elsevier Ltd. C1 [Lange, Robert G.; Carroll, Wade P.] US DOE, Germantown, MD 20874 USA. RP Lange, RG (reprint author), US DOE, 19901 Germantown Rd, Germantown, MD 20874 USA. EM Robert.Lange@nuclear.energy.gov NR 1 TC 25 Z9 30 U1 2 U2 32 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0196-8904 J9 ENERG CONVERS MANAGE JI Energy Conv. Manag. PD MAR PY 2008 VL 49 IS 3 BP 393 EP 401 DI 10.1016/j.enconman.2007.10.028 PG 9 WC Thermodynamics; Energy & Fuels; Mechanics SC Thermodynamics; Energy & Fuels; Mechanics GA 269SP UT WOS:000253670800003 ER PT J AU Clarke, L Weyant, J Edmonds, J AF Clarke, Leon Weyant, John Edmonds, Jae TI On the sources of technological change: What do the models assume? SO ENERGY ECONOMICS LA English DT Article DE energy and environmental models; technological change; climate change ID RESEARCH-AND-DEVELOPMENT; CLIMATE-CHANGE; EXPERIENCE CURVE; CO2 ABATEMENT; POLICY AB It is widely acknowledged that technological change can substantially reduce the costs of stabilizing atmospheric concentrations of greenhouse gases. This paper discusses the sources of technological change and the representations of these sources in formal models of energy and the environment. The paper distinguishes between three major sources of technological change-R&D, learning-by-doing and spillovers-and introduces a conceptual framework for linking modeling approaches to assumptions about these real-world sources. A selective review of modeling approaches, including those employing exogenous technological change, suggests that most formal models have meaningful real-world interpretations that focus on a subset of possible sources of technological change while downplaying the roles of others. (c) 2006 Elsevier B.V. All rights reserved. C1 [Clarke, Leon; Edmonds, Jae] Joint Global Change Res Inst, Pacific NW Natl Lab, College Pk, MD 20740 USA. [Weyant, John] Stanford Univ, Stanford, CA 94305 USA. RP Clarke, L (reprint author), Joint Global Change Res Inst, Pacific NW Natl Lab, 8400 Baltimore Ave,Suite 201, College Pk, MD 20740 USA. EM Icon.clarke@pni.gov NR 30 TC 39 Z9 39 U1 0 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0140-9883 J9 ENERG ECON JI Energy Econ. PD MAR PY 2008 VL 30 IS 2 BP 409 EP 424 DI 10.1016/j.eneco.2006.05.023 PG 16 WC Economics SC Business & Economics GA 257FL UT WOS:000252784500013 ER PT J AU Link, DD Gormley, RJ Baltrus, JP Anderson, RR Zandhuis, PH AF Link, Dirk D. Gormley, Robert J. Baltrus, John P. Anderson, Richard R. Zandhuis, Paul H. TI Potential additives to promote seal swell in synthetic fuels and their effect on thermal stability SO ENERGY & FUELS LA English DT Article ID SIMILAR HYDROCARBON MIXTURES; HIGH-TEMPERATURE STABILIZERS; JET FUEL; DIESEL FUEL; IDENTIFICATION; 400-DEGREES-C; BLENDS AB Synthetic, fuels derived from the Fischer-Tropsch (F-T) process using natural gas or coal-derived synthesis gas as feedstocks can be used for powering ground vehicles, aircraft, and ships. Because of their chemical and physical properties, F-T fuels will probably require additives in order to meet specifications with respect to lubricity and seal swell capability for use in ground and air vehicles. Using both experimental and computational studies, the propensity of certain species to enhance the seal swell characteristics of synthetic fuels and surrogates has been determined, and promising additives have been identified. Important structural characteristics for potential additives, namely an aromatic ring along with a polar constituent, are described. The thermal stability of synthetic and surrogate fuels containing the single-component additive benzyl alcohol, which is representative of this structural class, has been determined by batch stressing of the mixtures at 350 degrees C for up to 12 h. Synthetic fuels spiked with benzyl alcohol at concentrations (vol%) of 1.0, 0.75, and 0.5 have demonstrated the ability to swell nitrile rubber o-rings to a comparable degree as petroleum jet fuel. Further, batch reactor studies have shown that addition of benzyl alcohol does not degrade the thermal oxidative stability of the fuel based on gravimetric analysis of the solid deposits after stressing. GC-MS was used to characterize the products from thermal stressing of neat and additized surrogate jet fuel, and their compositions were compared with respect to the creation of certain species and their potential effect on deposition. C1 [Link, Dirk D.; Gormley, Robert J.; Baltrus, John P.; Anderson, Richard R.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Zandhuis, Paul H.] RDS Parsons, South Pk, PA 15129 USA. RP Link, DD (reprint author), US DOE, Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA. EM dirk.link@netl.doe.gov NR 33 TC 10 Z9 10 U1 0 U2 11 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 MAR-APR PY 2008 VL 22 IS 2 BP 1115 EP 1120 DI 10.1021/ef700569k PG 6 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 277BY UT WOS:000254188900054 ER PT J AU Romanov, V Soong, Y AF Romanov, Vyacheslav Soong, Yee TI Long-term CO2 sorption on Upper Freeport coal powder and lumps SO ENERGY & FUELS LA English DT Article ID CARBON-DIOXIDE; SUPERCRITICAL STATES; ADSORPTION; GASES AB Powder and lumps of the Argonne Premium Upper Freeport coal were compared in a 9-month-long CO2 sorption-desorption study. On the basis of the slope analysis, CO2 induced the lumps swelling by 7%. The powder swelled by 8% and then rapidly shrank by 3% on desorption. This was verified by a "single point" injection of helium and the pressure-and-density technique, which was sufficiently sensitive. Low-pressure Langmuir-fit parameters suggest that the microporous textures of the powder and lumps are similar. The samples demonstrated greatly increased sticking coefficients and a slightly larger number of the "sorption ready" sites, after the CO2-induced swelling and structural rearrangement resulted in variable degrees of the matrix shrinkage. No permanent changes in the void volume and dry mass were detected after complete desorption. The observed hysteresis in sorption-desorption behavior of both samples upon the approach to the CO2 density fluctuation ridge is interpreted as a contribution of condensation and coalescence of CO2 clusters in mesopores. The differences between the two samples in the magnitude of the enhanced capillary condensation, with or without dissolution, demonstrate the importance of changes in mesoporous texture caused by grinding of coal lumps into powder. C1 [Romanov, Vyacheslav; Soong, Yee] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Romanov, V (reprint author), US DOE, Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA. EM romanov@netl.doe.gov RI Romanov, Vyacheslav/C-6467-2008 OI Romanov, Vyacheslav/0000-0002-8850-3539 NR 13 TC 6 Z9 7 U1 0 U2 3 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 MAR-APR PY 2008 VL 22 IS 2 BP 1167 EP 1169 DI 10.1021/ef700491t PG 3 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 277BY UT WOS:000254188900062 ER PT J AU Lin, J Zhou, N Levine, M Fridley, D AF Lin, Jiang Zhou, Nan Levine, Mark Fridley, David TI Taking out 1 billion tons of CO2: The magic of China's 11th Five-Year Plan? SO ENERGY POLICY LA English DT Article DE energy intensity; China; decomposition AB China's 11th Five-Year Plan (FYP) sets an ambitious target for energy-efficiency improvement: energy intensity of the country's gross domestic product (GDP) should be reduced by 20% from 2005 to 2010 [National Development and Reform Commission (NDRC), 2006. Overview of the 11th Five Year Plan for National Economic and Social Development. NDRC, Beijing]. This is the first time that a quantitative and binding target has been set for energy efficiency, and signals a major shift in China's strategic thinking about its long-term economic and energy development. The 20% energy-intensity target also translates into an annual reduction of over 1.5 billion tons of CO2 by 2010, making the Chinese effort one of the most significant carbon mitigation efforts in the world today. While it is still too early to tell whether China will achieve this target, this paper attempts to understand the trend in energy intensity in China and to explore a variety of options toward meeting the 20% target using a detailed end-use energy model. (C) 2007 Elsevier Ltd. All rights reserved. C1 [Lin, Jiang; Zhou, Nan; Levine, Mark; Fridley, David] Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Zhou, N (reprint author), Ernest Orlando Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS 90R4000, Berkeley, CA 94720 USA. EM NZhou@lbl.gov NR 18 TC 38 Z9 39 U1 0 U2 9 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 MAR PY 2008 VL 36 IS 3 BP 954 EP 970 DI 10.1016/j.enpol.2007.10.033 PG 17 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 272DL UT WOS:000253839200007 ER PT J AU Lin, J Rosenquist, G AF Lin, Jiang Rosenquist, Gregory TI Stay cool with less work: China's new energy-efficiency standards for air conditioners SO ENERGY POLICY LA English DT Article DE energy-efficiency standards; room air conditioners; China AB In response to electricity shortages, China announced a new set of minimum energy-efficiency standards for room air conditioners (RACs), with the first tier going into effect on March 1, 2005 and the second tier taking effect on January 1, 2009. This paper first reviews the requirements of the new Chinese standards for air conditioners and compares them to similar standards in other countries. It then presents results from an analysis of the cost-effectiveness of the standards and the impact of the new standards on energy savings, electric generation capacity, and CO2 emissions reductions. China's recent efforts to regulate the efficiency of RACs will yield significant consumer economic savings as well as avoided construction of a large number of power plants and avoided emissions of GHG and other local pollutants. (C) 2007 Elsevier Ltd. All rights reserved. C1 [Lin, Jiang; Rosenquist, Gregory] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Lin, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, MS 90-4000,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM J_lin@lbl.gov NR 7 TC 11 Z9 12 U1 1 U2 4 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 MAR PY 2008 VL 36 IS 3 BP 1090 EP 1095 DI 10.1016/j.enpol.2007.11.019 PG 6 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 272DL UT WOS:000253839200017 ER PT J AU Brown, MA Southworth, F AF Brown, Marilyn A. Southworth, Frank TI Mitigating climate change through green buildings and smart growth SO ENVIRONMENT AND PLANNING A LA English DT Article ID ENERGY-EFFICIENCY AB Energy-efficient buildings are seen by climate change experts as one of the least-cost approaches to mitigating greenhouse gas emissions. This paper summarizes a study carried out for the Pew Center on Global Climate Change that takes a broader look at the potential role of a climate-friendly built environment including not only considerations of how buildings are constructed and used, but also how they interface with the electric grid and where they are located in terms of urban densities and access to employment and services. In addition to summarizing mechanisms of change (barriers and drivers) the paper reviews a set of policies that could bring carbon emissions in the building sector in 2025 almost back to 2004 levels. By the middle of the century the combination of green buildings and smart growth could deliver the deeper reductions that many believe are needed to mitigate climate change. C1 [Brown, Marilyn A.; Southworth, Frank] Oak Ridge Natl Lab, Engn Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Brown, MA (reprint author), Oak Ridge Natl Lab, Engn Sci & Technol Div, POB 2008, Oak Ridge, TN 37831 USA. EM brownma@ornl.gov; southworthf@ornl.gov NR 68 TC 25 Z9 26 U1 3 U2 17 PU PION LTD PI LONDON PA 207 BRONDESBURY PARK, LONDON NW2 5JN, ENGLAND SN 0308-518X J9 ENVIRON PLANN A JI Environ. Plan. A PD MAR PY 2008 VL 40 IS 3 BP 653 EP 675 DI 10.1068/a38419 PG 23 WC Environmental Studies; Geography SC Environmental Sciences & Ecology; Geography GA 297OH UT WOS:000255625500010 ER PT J AU Cava, F de Pedro, MA Blas-Galindo, E Waldo, GS Westblade, LF Berenguer, J AF Cava, Felipe Angel de Pedro, Miguel Blas-Galindo, Emilio Waldo, Geoffrey S. Westblade, Lars F. Berenguer, Jose TI Expression and use of superfolder green fluorescent protein at high temperatures in vivo: a tool to study extreme thermophile biology SO ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID ARGININE TRANSLOCATION PATHWAY; RESPIRATORY NITRATE REDUCTASE; RNA-POLYMERASE HOLOENZYME; FOLDING QUALITY-CONTROL; THERMUS-THERMOPHILUS; ANGSTROM RESOLUTION; CRYSTAL-STRUCTURE; ESCHERICHIA-COLI; ALKALINE-PHOSPHATASE; TRANSFORMATION AB Superfolder GFP (sGFP) is a variant of the Green Fluorescent Protein that folds efficiently when fused to poorly folded proteins. In this study, we show that sGFP, but not enhanced GFP, is functional in vivo at 70 degrees C in the extreme thermophile Thermus thermophilus (Tth); thus, permitting the use of sGFP as a localization tag in vivo. We created a suite of plasmids that allow the expression of carboxy-terminal sGFP fusion proteins in both Escherichia coli and Tth. In order to demonstrate the facility of sGFP as an in vivo localization tag in Tth, we tagged GroES (the small subunit of the bacterial GroES/GroEL chaperone), NarC (a membrane component of the nitrate respiration apparatus) and PhoA (a TAT-secreted periplasmic protein), and visualized the distribution of the sGFP fusion proteins using confocal microscopy. Fusions to NarC and PhoA produced enzymatically active proteins that complemented both the narC and the phoA strains respectively. Observation of the distribution of the GroES-sGFP protein by confocal microscopy revealed a homogeneous fluorescence in the cells, which is in full agreement with the cytoplasmic nature of GroES, whereas the NarC-sGFP protein was localized to the membrane. Finally, a combination of confocal microscopy and biochemistry revealed that PhoA is localized in the periplasm. We suggest that sGFP will be broadly applicable in characterizing various extreme thermophile systems. C1 [Cava, Felipe; Angel de Pedro, Miguel; Blas-Galindo, Emilio; Berenguer, Jose] Univ Autonoma Madrid, Ctr Biol Mol Severo Ochoa, CSIC, E-28049 Madrid, Spain. [Waldo, Geoffrey S.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Westblade, Lars F.] Rockefeller Univ, New York, NY 10065 USA. RP Berenguer, J (reprint author), Univ Autonoma Madrid, Ctr Biol Mol Severo Ochoa, CSIC, E-28049 Madrid, Spain. EM jberenguer@cbm.uam.es NR 35 TC 26 Z9 26 U1 0 U2 15 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1462-2912 J9 ENVIRON MICROBIOL JI Environ. Microbiol. PD MAR PY 2008 VL 10 IS 3 BP 605 EP 613 DI 10.1111/j.1462-2920.2007.01482.x PG 9 WC Microbiology SC Microbiology GA 256FE UT WOS:000252712300006 PM 18190515 ER PT J AU Holem, RR Hopkins, WA Talent, LG AF Holem, Ryan R. Hopkins, William A. Talent, Larty G. TI Effects of repeated exposure to malathion on growth, food consumption, and locomotor performance of the western fence lizard (Sceloporus occidentalis) SO ENVIRONMENTAL POLLUTION LA English DT Article DE repeated exposure; lizard; locomotor performance; malathion; reptiles ID CHOLINESTERASE-INHIBITING PESTICIDE; BULLFROGS RANA-CATESBEIANA; SWIMMING PERFORMANCE; PREDATOR AVOIDANCE; SPRINT PERFORMANCE; BEHAVIOR; SURVIVAL; POPULATIONS; ECOTOXICOLOGY; TERRESTRIAL AB Effects of repeated pollutant exposure on growth, locomotor performance, and behavior have rarely been evaluated in reptiles. We administered three doses of malathion (2.0, 20, or 100 mg/kg body weight) to western fence lizards (Sceloporus occidentalis) over an 81 day period. Eight and 23% mortality occurred at 20 and 100 mg/kg (p = 0.079) and 85% of lizards in the 100 mg/kg group exhibited clinical symptoms of poisoning. Growth, food consumption, body condition index, and terrestrial locomotor performance were not significantly influenced by malathion. However, arboreal sprint velocity was significantly reduced in lizards receiving 100 mg/kg. Fifty percent of lizards in the 100 mg/kg group also refused to sprint in the arboreal setting (p = 0.085). Based on these results, arboreal locomotor performance was the most sensitive metric of exposure we evaluated. Further study of compounds such as malathion is warranted due to highly variable application rates and exposure scenarios. Published by Elsevier Ltd. C1 [Hopkins, William A.] Virginia Polytech Inst & State Univ, Dept Fisheries & Wildlife Sci, Blacksburg, VA 24061 USA. [Holem, Ryan R.; Hopkins, William A.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29801 USA. [Holem, Ryan R.] ENTRIX Inc, Okemos, MI 48864 USA. [Talent, Larty G.] Oklahoma State Univ, Stillwater, OK 74078 USA. RP Hopkins, WA (reprint author), Virginia Polytech Inst & State Univ, Dept Fisheries & Wildlife Sci, Blacksburg, VA 24061 USA. EM hopkinsw@vt.edu NR 46 TC 13 Z9 15 U1 4 U2 17 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0269-7491 EI 1873-6424 J9 ENVIRON POLLUT JI Environ. Pollut. PD MAR PY 2008 VL 152 IS 1 BP 92 EP 98 DI 10.1016/j.envpol.2007.05.017 PG 7 WC Environmental Sciences SC Environmental Sciences & Ecology GA 283XP UT WOS:000254670100010 PM 17611009 ER PT J AU Kelly, SD Kemner, KM Carley, J Criddle, C Jardine, PM Marsh, TL Phillips, D Watson, D Wu, WM AF Kelly, Shelly D. Kemner, Kenneth M. Carley, Jack Criddle, Craig Jardine, Phillip M. Marsh, Terence L. Phillips, Debra Watson, David Wu, Wei-Min TI Speciation of uranium in sediments before and after in situ biostimulation SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID HIGHLY CONTAMINATED AQUIFER; MICROBIAL REDUCTION; SUBSURFACE SEDIMENT; WATER INTERFACE; GROUND-WATER; U(VI); BIOREDUCTION; BACTERIA; NITRATE; SCALE AB The success of sequestration-based remediation strategies will depend on detailed information, including the predominant U species present as sources before biostimulation and the products produced during and after in situ biostimulation. We used X-ray absorption spectroscopy to determine the valence state and chemical speciation of U in sediment samples collected at a variety of depths through the contaminant plume at the Field Research Center at Oak Ridge, TN, before and after approximately 400 days of in situ biostimulation, as well as in duplicate bioreduced sediments after 363 days of resting conditions. The results indicate that U(VI) in subsurface sediments was partially reduced to 10-40% U(IV) during biostimulation. After biostimulation, U was no longer bound to carbon ligands and was adsorbed to Fe/Mn minerals. Reduction of 01) to U(IV) continued in sediment samples stored under anaerobic condition at < 4 degrees C for 12 months, with the fraction of U(IV) in sediments more than doubling and U concentrations in the aqueous phase decreasing from 0.5-0.74 to < 0.1 mu M. A shift of uranyl species from uranyl bound to phosphorus ligands to uranyl bound to carbon ligands and the formation of nanoparticulate uraninite occurred in the sediment samples during storage. C1 [Kelly, Shelly D.; Kemner, Kenneth M.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Carley, Jack; Jardine, Phillip M.; Watson, David] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Criddle, Craig; Wu, Wei-Min] Stanford Univ, Dept Civil & Environm Engn, Stanford, CA 94305 USA. [Marsh, Terence L.] Michigan State Univ, E Lansing, MI 48824 USA. [Phillips, Debra] Queens Univ Belfast, Environm Engn Res Ctr, Sch Planning Architecture & Civil Engn, Belfast BT9 5AG, Antrim, North Ireland. RP Kelly, SD (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM skelly@anl.gov RI Phillips, Debra/F-1828-2010; ID, MRCAT/G-7586-2011; Watson, David/C-3256-2016 OI Phillips, Debra/0000-0001-8548-7409; Watson, David/0000-0002-4972-4136 NR 34 TC 79 Z9 80 U1 3 U2 50 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 MAR 1 PY 2008 VL 42 IS 5 BP 1558 EP 1564 DI 10.1021/es071764i PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 267PK UT WOS:000253521300032 PM 18441803 ER PT J AU Ilton, ES Qafoku, NP Liu, CX Moore, DA Zachara, JM AF Ilton, Eugene S. Qafoku, Nikolla P. Liu, Chongxuan Moore, Dean A. Zachara, John M. TI Advective removal of intraparticle uranium from contaminated Vadose zone sediments, Hanford, US SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID SITE; URANYL; DISSOLUTION; WASHINGTON; DESORPTION; SORPTION; SURFACE; SOILS AB A column study on U(VI)-contaminated vadose zone sediments from the Hanford Site, WA, was performed to investigate U(VI) release kinetics with water advection and variable geochemical conditions. The sediments were collected from an area adjacent to and below tank BX-102 that was contaminated as a result of a radioactive tank waste overfill event. The primary reservoir for U(VI) in the sediments are micrometer size precipitates composed of nanocrystallite aggregates of a Na-U-Silicate phase, most likely Na-boltwoodite, that nucleated and grew within microfractures of the plagioclase component of sand-sized granitic clasts. Two sediment samples, with different U(VI) concentrations and intraparticle mass transfer properties, were leached with advective flows of three different solutions. The influent solutions were all calcite-saturated and in equilibrium with atmospheric CO2. One solution was prepared from DI water, the second was a synthetic groundwater (SGW) with elevated Na that mimicked groundwater at the Hanford site, and the third was the same SGW but with both elevated Na and Si. The latter two solutions were employed, in part, to test the effect of saturation state on U(VI) release. For both sediments, and all three electrolytes, there was an initial rapid release of U(VI) to the advecting solution followed by slower near steady-state release. U(VI)aq concentrations increased during subsequent stop-flow events. The electrolytes with elevated Na and Si depressed U(VI)aq concentrations in effluent solutions. Effluent U(VI)aq concentrations for both sediments and all three electrolytes were simulated reasonably well by a three domain model (the advecting fluid, fractures, and matrix) that coupled U(VI) dissolution, intraparticle U(VI)aq diffusion, and interparticle advection, where diffusion and dissolution properties were parameterized in a previous batch study. C1 [Ilton, Eugene S.; Qafoku, Nikolla P.; Liu, Chongxuan; Moore, Dean A.; Zachara, John M.] Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Ilton, ES (reprint author), Pacific NW Natl Lab, Div Chem Sci, 902 Battelle Blvd,MS K8-96, Richland, WA 99352 USA. EM Eugene.Ilton@pnl.gov RI Liu, Chongxuan/C-5580-2009; OI Qafoku, Nikolla P./0000-0002-3258-5379 NR 21 TC 19 Z9 20 U1 2 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD MAR 1 PY 2008 VL 42 IS 5 BP 1565 EP 1571 DI 10.1021/es071113m PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 267PK UT WOS:000253521300033 PM 18441804 ER PT J AU Beak, DG Wilkin, RT Ford, RG Kelly, SD AF Beak, Douglas G. Wilkin, Richard T. Ford, Robert G. Kelly, Shelly D. TI Examination of arsenic speciation in sulfidic solutions using X-ray absorption spectroscopy SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID EXISTING EXPERIMENTAL-DATA; FINE-STRUCTURE; WATERS; SOLUBILITY; AS(III); COMPLEXES; AS2S3; LAKE; STOICHIOMETRY; THIOARSENATES AB Both thioarsenites and thioarsenates have been demonstrated to exist in sulfidic waters, yet there is uncertainty regarding the geochemical conditions that govern the formation of these arsenic species. The purpose of this research was to use advanced spectroscopy techniques, speciation modeling, and chromatography to elucidate the chemical speciation of arsenic in sulfidic solutions initially containing arsenite and sulfide. Results of X-ray absorption spectroscopy (XAS) show that experimental solutions contained mixtures of arsenite and thioarsenites with increasing substitution of sulfur for oxygen on arsenic as the sulfide concentration increased. Experimental samples showed no evidence of polymeric arsenic species, or transformation of thioarsenites to thioarsenates. The arsenic speciation measured using XAS was similar to predictions obtained from a thermodynamic model for arsenic speciation, excluding thioarsenate species in sulfidic systems. Our data cast some doubt on the application of chromatographic methods for determining thioarsenates and thioarsenites (or mixtures) in natural waters in cases where the arsenic oxidation state cannot be independently verified. The same chromatographic peak positions proposed for thioarsenates can be explained by thioarsenite species. Furthermore, sample dilution was shown to change the species distribution and care should be taken to avoid sample dilution prior to chromatographic analysis. C1 [Beak, Douglas G.; Wilkin, Richard T.; Ford, Robert G.] US EPA, Natl Risk Management Res Lab, Ada, OK 74820 USA. [Kelly, Shelly D.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Beak, DG (reprint author), US EPA, Natl Risk Management Res Lab, 919 Kerr Res Dr, Ada, OK 74820 USA. EM beak.douglas@epa.gov RI Beak, Douglas/F-1846-2010; ID, MRCAT/G-7586-2011; Ford, Robert/N-4634-2014 OI Ford, Robert/0000-0002-9465-2282 NR 32 TC 41 Z9 42 U1 2 U2 40 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD MAR 1 PY 2008 VL 42 IS 5 BP 1643 EP 1650 DI 10.1021/es071858s PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 267PK UT WOS:000253521300044 PM 18441815 ER PT J AU Manceau, A Nagy, KL Marcus, MA Lanson, M Geoffroy, N Jacquet, T Kirpichtchikova, T AF Manceau, Alain Nagy, Kathryn L. Marcus, Matthew A. Lanson, Martine Geoffroy, Nicolas Jacquet, Thierry Kirpichtchikova, Tatiana TI Formation of metallic copper nanoparticles at the soil-root interface SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID X-RAY-FLUORESCENCE; SUBCELLULAR-LOCALIZATION; SILVER NANOPARTICLES; PHRAGMITES-AUSTRALIS; NATURAL SPECIATION; EXAFS SPECTROSCOPY; MICROMETER SCALE; SILENE-VULGARIS; HEAVY-METALS; ABSORPTION AB Copper is an essential element in the cellular electron-transport chain, but as a free ion it can catalyze production of damaging radicals. Thus, all life forms attempt to prevent copper toxicity. Plants diminish excess copper in two structural regions: rare hyperaccumulators bind cationic copper to organic ligands in subaerial tissues, whereas widespread metal-tolerant plants segregate copper dominantly in roots by mechanisms thought to be analogous. Here we show using synchrotron microanalyses that common wetlands plants Phragmites australis and Iris pseudoacorus can transform copper into metallic nanoparticles in and near roots with evidence of assistance by endomycorrhizal fungi when grown in contaminated soil in the natural environment. Biomolecular responses to oxidative stress, similar to reactions used to abiotically synthesize Cu-0 nanostructures of controlled size and shape, likely cause the transformation. This newly identified mode of copper biomineralization by plant roots under copper stress may be common in oxygenated environments. C1 [Manceau, Alain; Lanson, Martine; Geoffroy, Nicolas] CNRS, LGIT Maison Geosci, F-38041 Grenoble, France. [Manceau, Alain; Lanson, Martine; Geoffroy, Nicolas] Univ J Fourier, LGIT Maison Geosci, F-38041 Grenoble, France. [Nagy, Kathryn L.] Univ Illinois, Dept Earth & Environm Sci, Chicago, IL 60607 USA. [Marcus, Matthew A.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Jacquet, Thierry; Kirpichtchikova, Tatiana] Hotel Vigee Le Brun, Phytorestore Site & Concept, F-75002 Paris, France. RP Manceau, A (reprint author), CNRS, LGIT Maison Geosci, F-38041 Grenoble, France. EM manceau@obs.ujf-grenoble.fr RI Lanson, Martine/E-3249-2012; Beamline, FAME/G-9313-2012 NR 63 TC 95 Z9 100 U1 9 U2 73 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD MAR 1 PY 2008 VL 42 IS 5 BP 1766 EP 1772 DI 10.1021/es072017o PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 267PK UT WOS:000253521300062 PM 18441833 ER PT J AU Maniadis, P Tsimpanogiannis, IN Kober, EM Lookman, T AF Maniadis, P. Tsimpanogiannis, I. N. Kober, E. M. Lookman, T. TI Phase segregation of diblock copolymers in nanopore geometries SO EPL LA English DT Article ID BLOCK-COPOLYMER; CYLINDRICAL CONFINEMENT; MORPHOLOGY; SIMULATION; FILMS AB The self-assembly of a diblock copolymer melt in a confined regular geometry with a given pore size is studied using self-consistent field theory. For a particle in a polymer domain, we obtain the interaction potential as a function of the distance from the polymer interface. For a given concentration of particles of a certain size and separation, we find that microphase segregation is sensitive to the characteristic length scales of the geometry. In particular, novel polymer morphologies arise when the size of the pores and the distance between them are comparable to the diblock polymer radius of gyration R(g). Confinement can result in morphologies not allowed in the bulk. However, if the pore size is much larger than R(g), the effects are then limited to the vicinity of the pore surface. Copyright (c) EPLA, 2008. C1 [Maniadis, P.; Kober, E. M.; Lookman, T.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Tsimpanogiannis, I. N.] Natl Ctr Sci Res Demokritos, Environm Res Lab, Athens 15310, Greece. RP Maniadis, P (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM maniadis@lanl.gov RI Maniadis, Panagiotis/A-7861-2012; OI Lookman, Turab/0000-0001-8122-5671 NR 24 TC 8 Z9 8 U1 0 U2 11 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PD MAR PY 2008 VL 81 IS 5 AR 56001 DI 10.1209/0295-5075/81/56001 PG 6 WC Physics, Multidisciplinary SC Physics GA 293XP UT WOS:000255369000015 ER PT J AU Noh, HJ Koh, H Oh, SJ Park, JH Kim, HD Rameau, JD Valla, T Kidd, TE Johnson, PD Hu, Y Li, Q AF Noh, H. -J. Koh, H. Oh, S. -J. Park, J. -H. Kim, H. -D. Rameau, J. D. Valla, T. Kidd, T. E. Johnson, P. D. Hu, Y. Li, Q. TI Spin-orbit interaction effect in the electronic structure of Bi(2)Te(3) observed by angle-resolved photoemission spectroscopy SO EPL LA English DT Article ID BISMUTH TELLURIDE; THERMOELECTRIC PROPERTIES; VALENCE-BAND; MERIT; FIGURE AB The electronic structure of p-type doped Bi(2)Te(3) is studied by angle-resolved photoemission spectroscopy (ARPES) to experimentally confirm the mechanism responsible for the high thermoelectric figure of merit. Our ARPES study shows that the band edges are located off. the Gamma-Z line in the Brillouin zone, which provides direct observation that the spin-orbit interaction is a key factor to understand the electronic structure and the corresponding thermoelectric properties of Bi(2)Te(3). A successive time-dependent ARPES measurement also reveals that the electron-like bands crossing E(F) near the (Gamma) under bar -point are formed in an hour after cleaving the crystals. We interpret these as surface states induced by surface band bending, possibly due to quintuple inter-layer distance change of Bi(2)Te(3). Copyright (c) EPLA, 2008. C1 [Noh, H. -J.] Chonnam Natl Univ, Dept Phys, Kwangju 500757, South Korea. [Noh, H. -J.; Koh, H.; Oh, S. -J.] Seoul Natl Univ, Sch Phys, Seoul 151742, South Korea. [Noh, H. -J.; Koh, H.; Oh, S. -J.] Seoul Natl Univ, Ctr Strongly Correlated Mat Res, Seoul 151742, South Korea. [Park, J. -H.] Pohang Univ Sci & Technol, Dept Phys, Pohang 790784, South Korea. [Kim, H. -D.] Pohang Univ Sci & Technol, Pohang Accelerator Lab, Pohang 790784, South Korea. [Rameau, J. D.; Valla, T.; Kidd, T. E.; Johnson, P. D.; Hu, Y.; Li, Q.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Rameau, J. D.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11974 USA. RP Noh, HJ (reprint author), Chonnam Natl Univ, Dept Phys, Kwangju 500757, South Korea. EM ffnhj@chonnam.ac.kr NR 23 TC 63 Z9 63 U1 2 U2 31 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PD MAR PY 2008 VL 81 IS 5 AR 57006 DI 10.1209/0295-5075/81/57006 PG 5 WC Physics, Multidisciplinary SC Physics GA 293XP UT WOS:000255369000024 ER PT J AU Capstick, S Svarc, A Tiator, L Gegelia, J Giannini, MM Santopinto, E Hanhart, C Scherer, S Lee, TSH Sato, T Suzuki, N AF Capstick, S. Svarc, A. Tiator, L. Gegelia, J. Giannini, M. M. Santopinto, E. Hanhart, C. Scherer, S. Lee, T. -S. H. Sato, T. Suzuki, N. TI The physical meaning of scattering matrix singularities in coupled-channel formalisms SO EUROPEAN PHYSICAL JOURNAL A LA English DT Article; Proceedings Paper CT 11th Workshop on the Physics of Excited Nucleons CY SEP 05-08, 2007 CL Univ Bonn, Bonn, GERMANY SP Deutsch Forschungsgemeinsch, Forschungszentrum Julich, Univ Bonn, CAEN SpA, sysGen GmbH, W IE NE R Plein & Baus GmbH HO Univ Bonn ID CHIRAL PERTURBATION-THEORY; QUANTUM FIELD THEORIES; ZWEIG-IIZUKA RULE; RELATIVISTIC QUARK-MODEL; STRANGE-BARYON SPECTRUM; 3-BODY FORCE MODEL; P-WAVE BARYONS; PHENOMENOLOGICAL LAGRANGIANS; ELECTROMAGNETIC-EXCITATION; COMPOSITE PARTICLES AB The physical meaning of bare and dressed scattering matrix singularities has been investigated. Special attention has been attributed to the role of the well-known invariance of the scattering matrix with respect to the field transformation of the effective Lagrangian. Examples of evaluating bare and dressed quantities in various models are given. C1 [Capstick, S.] Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. [Svarc, A.] Rudjer Boskovic Inst, Zagreb 10002, Croatia. [Tiator, L.; Gegelia, J.; Scherer, S.] Johannes Gutenberg Univ Mainz, Inst Kernphys, D-55099 Mainz, Germany. [Giannini, M. M.; Santopinto, E.] Univ Genoa, Dipartimento Fis, Genoa, Italy. [Giannini, M. M.; Santopinto, E.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Hanhart, C.] Forschungszentrum Julich, Inst Kernphys, D-52425 Julich, Germany. [Lee, T. -S. H.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Lee, T. -S. H.; Sato, T.; Suzuki, N.] Thomas Jefferson Natl Accelerator Facil, Excited Baryon Anal Ctr, Newport News, VA 22901 USA. [Sato, T.; Suzuki, N.] Osaka Univ, Dept Phys, Osaka 5600043, Japan. RP Capstick, S (reprint author), Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. EM tiator@kph.uni-mainz.de OI Hanhart, Christoph/0000-0002-3509-2473 NR 98 TC 33 Z9 33 U1 0 U2 6 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6001 J9 EUR PHYS J A JI Eur. Phys. J. A PD MAR PY 2008 VL 35 IS 3 BP 253 EP 266 DI 10.1140/epja/i2007-10576-1 PG 14 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 290AU UT WOS:000255095800002 ER PT J AU Catanesi, MG Radicioni, E Edgecock, R Ellis, M Soler, FJP Goessling, C Bunyatov, S Krasnoperov, A Popov, B Serdiouk, V Tereschenko, V Di Capua, E Vidal-Sitjes, G Artamonov, A Giani, S Gilardoni, S Gorbunov, P Grant, A Grossheim, A Ivanchenko, A Ivanchenko, V Kayis-Topaksu, A Panman, J Papadopoulos, I Tcherniaev, E Tsukerman, I Veenhof, R Wiebusch, C Zucchelli, P Blondel, A Borghi, S Morone, MC Prior, G Schroeter, R Meurer, C Gastaldi, U Mills, GB Graulich, JS Gregoire, G Bonesini, M Ferri, F Kirsanov, M Bagulya, A Grichine, V Polukhina, N Palladino, V Coney, L Schmitz, D Barr, G De Santo, A Bobisut, F Gibin, D Guglielmi, A Mezzetto, M Dumarchez, J Dore, U Orestano, D Pastore, F Tonazzo, A Tortora, L Booth, C Howlett, L Bogomilov, M Chizhov, M Kolev, D Tsenov, R Piperov, S Temnikov, P Apollonio, M Chimenti, P Giannini, G Burguet-Castell, J Cervera-Villanueva, A Gomez-Cadenas, JJ Martin-Albo, J Novella, P Sorel, M AF Catanesi, M. G. Radicioni, E. Edgecock, R. Ellis, M. Soler, F. J. P. Goessling, C. Bunyatov, S. Krasnoperov, A. Popov, B. Serdiouk, V. Tereschenko, V. Di Capua, E. Vidal-Sitjes, G. Artamonov, A. Giani, S. Gilardoni, S. Gorbunov, P. Grant, A. Grossheim, A. Ivanchenko, A. Ivanchenko, V. Kayis-Topaksu, A. Panman, J. Papadopoulos, I. Tcherniaev, E. Tsukerman, I. Veenhof, R. Wiebusch, C. Zucchelli, P. Blondel, A. Borghi, S. Morone, M. C. Prior, G. Schroeter, R. Meurer, C. Gastaldi, U. Mills, G. B. Graulich, J. S. Gregoire, G. Bonesini, M. Ferri, F. Kirsanov, M. Bagulya, A. Grichine, V. Polukhina, N. Palladino, V. Coney, L. Schmitz, D. Barr, G. De Santo, A. Bobisut, F. Gibin, D. Guglielmi, A. Mezzetto, M. Dumarchez, J. Dore, U. Orestano, D. Pastore, F. Tonazzo, A. Tortora, L. Booth, C. Howlett, L. Bogomilov, M. Chizhov, M. Kolev, D. Tsenov, R. Piperov, S. Temnikov, P. Apollonio, M. Chimenti, P. Giannini, G. Burguet-Castell, J. Cervera-Villanueva, A. Gomez-Cadenas, J. J. Martin-Albo, J. Novella, P. Sorel, M. TI Large-angle production of charged pions by 3-12.9 GeV/c protons on beryllium, aluminium and lead targets SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID ATMOSPHERIC NEUTRINO FLUX; PRODUCTION CROSS-SECTION; OF-FLIGHT SYSTEM; HARP EXPERIMENT; PARTICLE-PRODUCTION; POSITIVE PIONS; CERN PS; PERFORMANCE; CALIBRATION; COLLISIONS AB Measurements of the double-differential pi(+/-) production cross-section in the range of momentum 100 MeV/c <= p < 800 MeV/c and angle 0.35 rad <= theta < 2.15 rad in proton-beryllium, proton-aluminium and proton-lead collisions are presented. The data were taken with the HARP detector in the T9 beam line of the CERN PS. The pions were produced by proton beams in a momentum range from 3 GeV/c to 12.9 GeV/c hitting a target with a thickness of 5% of a nuclear interaction length. The tracking and identification of the produced particles was performed using a small-radius cylindrical time projection chamber (TPC) placed inside a solenoidal magnet. Incident particles were identified by an elaborate system of beam detectors. Results are obtained for the double-differential cross-sections d(2)sigma/dpd theta at six incident proton beam momenta (3 GeV/c, 5 GeV/c, 8 GeV/c, 8.9 GeV/c (Be only), 12 GeV/c and 12.9 GeV/c (Al only)) and compared to previously available data. C1 [Catanesi, M. G.; Radicioni, E.] Univ Sez, Ist Nazl Fis Nucl, Bari, Italy. [Edgecock, R.; Ellis, M.; Soler, F. J. P.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Goessling, C.] Univ Dortmund, Inst Phys, D-44221 Dortmund, Germany. [Bunyatov, S.; Krasnoperov, A.; Popov, B.; Serdiouk, V.; Tereschenko, V.] Joint Inst Nucl Res, Dubna, Russia. [Di Capua, E.; Vidal-Sitjes, G.] Univ Sez, Ist Nazl Fis Nucl, Ferrara, Italy. [Artamonov, A.; Giani, S.; Gilardoni, S.; Gorbunov, P.; Grant, A.; Grossheim, A.; Ivanchenko, A.; Ivanchenko, V.; Kayis-Topaksu, A.; Panman, J.; Papadopoulos, I.; Tcherniaev, E.; Tsukerman, I.; Veenhof, R.; Wiebusch, C.; Zucchelli, P.] CERN, Geneva, Switzerland. [Blondel, A.; Borghi, S.; Morone, M. C.; Prior, G.; Schroeter, R.] Univ Geneva, Sect Phys, CH-1211 Geneva 4, Switzerland. [Meurer, C.] Forschungszentrum Karlsruhe, Inst Phys, Karlsruhe, Germany. [Gastaldi, U.] Ist Nazl Fis Nucl, Lab Nazl Legnaro, I-35020 Legnaro, Italy. [Mills, G. B.] Los Alamos Natl Lab, Los Alamos, NM USA. [Graulich, J. S.; Gregoire, G.] UCL, Inst Nucl Phys, Louvain la Neuve, Belgium. [Bonesini, M.; Ferri, F.] Univ Sez, INFN Milano Bicocca, I-20126 Milan, Italy. [Kirsanov, M.] Moscow MV Lomonosov State Univ, Inst Nucl Phys, Moscow, Russia. [Bagulya, A.; Grichine, V.; Polukhina, N.] Russian Acad Sci, PN Lebedev Phys Inst, FIAN, Moscow, Russia. [Palladino, V.] Univ Naples Federico II, Sez INFN, Naples, Italy. [Coney, L.; Schmitz, D.] Columbia Univ, New York, NY USA. [Barr, G.; De Santo, A.] Univ Oxford, Nucl & Astrophys Lab, Oxford OX1 2JD, England. [Bobisut, F.; Gibin, D.; Guglielmi, A.; Mezzetto, M.] Univ Sez, Ist Nazl Fis Nucl, Padua, Italy. [Dumarchez, J.] Univ Paris 06, LPNHE, Paris, France. [Dore, U.] Univ Paris 07, LPNHE, Paris, France. [Orestano, D.; Pastore, F.; Tonazzo, A.; Tortora, L.] Univ La Sapienza Sez, Ist Nazl Fis Nucl, Rome, Italy. [Booth, C.; Howlett, L.] Univ Sez, Ist Nazl Fis Nucl Roma 3, Rome, Italy. [Bogomilov, M.; Chizhov, M.; Kolev, D.; Tsenov, R.] Univ Sheffield, Dept Phys, Sheffield S10 2TN, S Yorkshire, England. [Piperov, S.; Temnikov, P.] Sofia Univ St Kliment Ohridski, Fac Phys, Sofia, Bulgaria. [Piperov, S.; Temnikov, P.] Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, Sofia, Bulgaria. [Apollonio, M.; Chimenti, P.; Giannini, G.] Univ Sez, Ist Nazl Fis Nucl, Trieste, Italy. [Burguet-Castell, J.; Cervera-Villanueva, A.; Gomez-Cadenas, J. J.; Martin-Albo, J.; Novella, P.; Sorel, M.] Univ Valencia, E-46003 Valencia, Spain. [Burguet-Castell, J.; Cervera-Villanueva, A.; Gomez-Cadenas, J. J.; Martin-Albo, J.; Novella, P.; Sorel, M.] CSIC, Inst Fis Corpscular, IFIC, Valencia, Spain. RP Catanesi, MG (reprint author), Univ Sez, Ist Nazl Fis Nucl, Bari, Italy. EM maurizio.bonesini@mib.infn.it RI Booth, Christopher/B-5263-2016; Temnikov, Petar/L-6999-2016; Graulich, Jean-Sebastien/B-4806-2009; Chimenti, Pietro/F-9898-2012; Wiebusch, Christopher/G-6490-2012; Prior, Gersende/I-8191-2013; Bagulya, Alexander/D-4273-2014; Novella, Pau/K-2845-2014; Gomez Cadenas, Juan Jose/L-2003-2014; Grichine, Vladimir/M-8526-2015; Polukhina, Natalia/E-1610-2014; Soler, Paul/E-8464-2011; Tcherniaev, Evgueni/G-3453-2016; Morone, Maria Cristina/P-4407-2016 OI Prior, Gersende/0000-0002-6058-1420; Booth, Christopher/0000-0002-6051-2847; Bonesini, Maurizio/0000-0001-5119-1896; Temnikov, Petar/0000-0002-9559-3384; Chimenti, Pietro/0000-0002-9755-5066; Wiebusch, Christopher/0000-0002-6418-3008; Novella, Pau/0000-0002-0923-3172; Gomez Cadenas, Juan Jose/0000-0002-8224-7714; Soler, Paul/0000-0002-4893-3729; Tcherniaev, Evgueni/0000-0002-3685-0635; Morone, Maria Cristina/0000-0002-0200-0632 NR 41 TC 24 Z9 24 U1 0 U2 2 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 MAR PY 2008 VL 54 IS 1 BP 37 EP 60 DI 10.1140/epjc/s10052-007-0517-y PG 24 WC Physics, Particles & Fields SC Physics GA 261AY UT WOS:000253052700002 ER PT J AU David, G AF David, G. TI Recent results on jet energy loss and direct photons at RHIC SO EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS LA English DT Article ID QUARK-GLUON PLASMA; TRANSVERSE-MOMENTUM; AU+AU COLLISIONS; NEUTRAL PIONS; PHENIX; DISTRIBUTIONS; COLLABORATION; PERSPECTIVE AB Measurements of the 70 and direct photon nuclear modification factors in p + p and A+A collisions in the PHENIX experiment at RHIC will be reviewed and recent results at root S-NN = 62.4 GeV will be presented. Using for the first time the p + p reference measured in the same experiment instead of averaging world data the pi(0) suppression turns out to be almost as large at root S-NN = 62.4 GeV as at root S-NN = 200 GeV, implying gluon densities dN(g)/dy > 800. Possible origins of photon suppression at high PT in V root S-NN = 200 GeV are discussed in light of the new results on photon R-AA at root S-NN = 62.4 GeV. C1 Brookhaven Natl Lab, Upton, NY 11961 USA. RP David, G (reprint author), Brookhaven Natl Lab, Upton, NY 11961 USA. EM david@bnl.gov NR 42 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1951-6355 EI 1951-6401 J9 EUR PHYS J-SPEC TOP JI Eur. Phys. J.-Spec. Top. PD MAR PY 2008 VL 155 BP 27 EP 36 DI 10.1140/epjst/e2008-00586-1 PG 10 WC Physics, Multidisciplinary SC Physics GA 288RF UT WOS:000255002800005 ER PT J AU Mocsy, A Petreczky, P AF Mocsy, A. Petreczky, P. TI Describing charmonium correlation functions in Euclidean time SO EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS LA English DT Article ID QUARK-GLUON PLASMA; PSI-SUPPRESSION; HEAVY QUARKONIA; DISSOCIATION; QCD AB We present a detailed investigation of the quark mass-dependence of charmonium correlators in Euclidean-time obtained using potential model as well as the comparison with results on isotropic lattice calculations. C1 [Mocsy, A.; Petreczky, P.] Brookhaven Natl Lab, RIKEN, Res Ctr, Upton, NY 11973 USA. [Petreczky, P.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Mocsy, A (reprint author), Brookhaven Natl Lab, RIKEN, Res Ctr, Upton, NY 11973 USA. EM mocsy@bnl.gov; petreczk@bn1.gov NR 31 TC 7 Z9 7 U1 0 U2 0 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1951-6355 J9 EUR PHYS J-SPEC TOP JI Eur. Phys. J.-Spec. Top. PD MAR PY 2008 VL 155 BP 101 EP 106 DI 10.1140/epjst/e2008-00593-2 PG 6 WC Physics, Multidisciplinary SC Physics GA 288RF UT WOS:000255002800012 ER PT J AU Petreczky, P AF Petreczky, P. TI Properties of quark gluon plasma from lattice calculations SO EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS LA English DT Article ID SPATIAL STRING TENSION; CHIRAL CRITICAL-POINT; QCD PHASE-TRANSITION; SU(2) GAUGE-THEORY; HIGH-TEMPERATURE; FREE-ENERGY; SPECTRAL FUNCTIONS; POTENTIALS; DEPENDENCE; ENTROPY AB I discuss lattice QCD calculations of the properties of strongly interacting matter at finite temperature, including the determination of the transition temperature T,, equation of state, different static screening lengths and quarkonium spectral functions. The lattice data suggest that at temperatures above 2.0T(c) many properties of the quark gluon plasma can be understood using weak coupling approach, although non-perturbative effects due to static magnetic fields are significant in some quantities. C1 [Petreczky, P.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Petreczky, P.] Brookhaven Natl Lab, RIKEN, BNL, Res Ctr, Upton, NY 11973 USA. RP Petreczky, P (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM petreczk@bnl.gov NR 68 TC 4 Z9 4 U1 0 U2 0 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1951-6355 J9 EUR PHYS J-SPEC TOP JI Eur. Phys. J.-Spec. Top. PD MAR PY 2008 VL 155 BP 123 EP 130 DI 10.1140/epjst/e2008-00596-y PG 8 WC Physics, Multidisciplinary SC Physics GA 288RF UT WOS:000255002800015 ER PT J AU Vogt, R AF Vogt, R. TI The total charm cross section SO EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS LA English DT Article ID HEAVY-QUARK PRODUCTION; BOTTOM; HADROPRODUCTION AB We assess the theoretical uncertainties on the total charm cross section. We discuss the importance of the quark mass, the scale choice and the parton densities on the estimate of the uncertainty. We conclude that due to the small charm quark mass, which amplifies the effect of varying the other parameters in the calculation, the uncertainty on the total charm cross section is difficult to quantify. C1 [Vogt, R.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Vogt, R.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. RP Vogt, R (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA. EM vogt2@llnl.gov NR 25 TC 36 Z9 38 U1 0 U2 2 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1951-6355 EI 1951-6401 J9 EUR PHYS J-SPEC TOP JI Eur. Phys. J.-Spec. Top. PD MAR PY 2008 VL 155 BP 213 EP 222 DI 10.1140/epjst/e2008-00603-5 PG 10 WC Physics, Multidisciplinary SC Physics GA 288RF UT WOS:000255002800022 ER PT J AU Encinas, JM Vazquez, ME Switzer, RC Chamberland, DW Nick, H Levine, HG Scarpa, PJ Enikolopov, G Steindler, DA AF Encinas, Juan M. Vazquez, Marcelo E. Switzer, Robert C. Chamberland, Dennis W. Nick, Harry Levine, Howard G. Scarpa, Philip J. Enikolopov, Grigori Steindler, Dennis A. TI Quiescent adult neural stem cells are exceptionally sensitive to cosmic radiation SO EXPERIMENTAL NEUROLOGY LA English DT Article ID CENTRAL-NERVOUS-SYSTEM; HIPPOCAMPAL NEUROGENESIS; CONFOCAL MICROSCOPY; IRRADIATION; BRAIN; STEREOLOGY; MARKERS; VITRO AB Generation of new neurons in the adult brain, a process that is likely to be essential for learning, memory, and mood regulation, is impaired by radiation. Therefore, radiation exposure might have not only such previously expected consequences as increased probability of developing cancer, but might also impair cognitive function and emotional stability. Radiation exposure is encountered in settings ranging from cancer therapy to space travel; evaluating the neurogenic risks of radiation requires identifying the at-risk populations of stem and progenitor cells in the adult brain. Here we have used a novel reporter mouse line to find that early neural progenitors are selectively affected by conditions simulating the space radiation environment. This is reflected both in a decrease in the number of these progenitors in the neurogenic regions and in an increase in the number of dying cells in these regions. Unexpectedly, we found that quiescent neural stem cells, rather than their rapidly dividing progeny, are most sensitive to radiation. Since these stem cells are responsible for adult neurogenesis, their death would have a profound impact on the production of new neurons in the irradiated adult brain. Our finding raises an important concern about cognitive and emotional risks associated with radiation exposure. (C) 2007 Elsevier Inc. All rights reserved. C1 [Encinas, Juan M.; Enikolopov, Grigori] Cold Spring Harbor Lab, Cold Spring Harbor, NY 11724 USA. [Vazquez, Marcelo E.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Chamberland, Dennis W.; Levine, Howard G.; Scarpa, Philip J.] NASA, Kennedy Space Ctr, FL USA. [Nick, Harry; Steindler, Dennis A.] Univ Florida, McKnight Brain Inst, Gainesville, FL 32611 USA. RP Enikolopov, G (reprint author), Cold Spring Harbor Lab, 1 Bungtown Rd, Cold Spring Harbor, NY 11724 USA. EM enik@cshl.edu RI Enikolopov, Grigori/B-7771-2009; Encinas, Juan/E-3625-2010; OI Enikolopov, Grigori/0000-0001-8178-8917; Encinas, Juan Manuel/0000-0002-0402-972X FU NHLBI NIH HHS [HL 70143]; NIMH NIH HHS [R21 MH081258, R21 MH081258-01]; NINDS NIH HHS [R01 NS037556, NS 37556] NR 24 TC 20 Z9 21 U1 0 U2 3 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0014-4886 J9 EXP NEUROL JI Exp. Neurol. PD MAR PY 2008 VL 210 IS 1 BP 274 EP 279 DI 10.1016/j.expneurol.2007.10.021 PG 6 WC Neurosciences SC Neurosciences & Neurology GA 270WV UT WOS:000253751800029 PM 18076878 ER PT J AU Kostiuk, MA Corvi, MM Keller, BO Plummer, G Prescher, JA Hangauer, MJ Bertozzi, CR Rajaiah, G Falck, JR Berthiaume, LG AF Kostiuk, Morris A. Corvi, Maria M. Keller, Bernd O. Plummer, Greg Prescher, Jennifer A. Hangauer, Matthew J. Bertozzi, Carolyn R. Rajaiah, Gurram Falck, John R. Berthiaume, Luc G. TI Identification of palmitoylated mitochondrial proteins using a bio-orthogonal azido-palmitate analogue SO FASEB JOURNAL LA English DT Article DE azido-fatty acid; carbamoyl phosphate synthetase 1; Staudinger ligation; 3-hydroxy-3-methylglutaryl CoA synthase ID COENZYME-A DEHYDROGENASE; ACID BETA-OXIDATION; ELECTRON-TRANSFER FLAVOPROTEIN; ACYL-COA DEHYDROGENASES; RAT-LIVER MITOCHONDRIA; IRON-SULFUR FLAVOPROTEIN; SITE FATTY ACYLATION; GLUTAMATE-DEHYDROGENASE; CATALYTIC-PROPERTIES; IN-VITRO AB Increased levels of circulating saturated free fatty acids, such as palmitate, have been implicated in the etiology of type II diabetes and cancer. In addition to being a constituent of glycerolipids and a source of energy, palmitate also covalently attaches to numerous cellular proteins via a process named palmitoylation. Recognized for its roles in membrane tethering, cellular signaling, and protein trafficking, palmitoylation is also emerging as a potential regulator of metabolism. Indeed, we showed previously that the acylation of two mitochondrial proteins at their active site cysteine residues result in their inhibition. Herein, we sought to identify other palmitoylated proteins in mitochondria using a nonradioactive bio-orthogonal azido-palmitate analog that can be selectively derivatized with various tagged triarylphosphines. Our results show that, like palmitate, incorporation of azido-palmitate occurred on mitochondrial proteins via thioester bonds at sites that could be competed out by palmitoyl-CoA. Using this method, we identified 21 putative palmitoylated proteins in the rat liver mitochondrial matrix, a compartment not recognized for its content in palmitoylated proteins, and confirmed the palmitoylation of newly identified mitochondrial 3-hydroxy 3-methylglutaryl-CoA synthase. We postulate that covalent modification and perhaps inhibition of various mitochondrial enzymes by palmitoyl-CoA could lead to the metabolic impairments found in obesity-related diseases. C1 [Kostiuk, Morris A.; Corvi, Maria M.; Plummer, Greg; Berthiaume, Luc G.] Univ Alberta, Fac Med & Dent, Dept Cell Biol, Edmonton, AB T6G 2H7, Canada. [Keller, Bernd O.] Univ British Columbia, Child & Family Res Inst, Dept Pathol & Lab Med, Vancouver, BC V5Z 1M9, Canada. [Prescher, Jennifer A.; Hangauer, Matthew J.; Bertozzi, Carolyn R.] Univ Calif Berkeley, Dept Chem & Mol Cell Biol, Berkeley, CA 94720 USA. [Prescher, Jennifer A.; Hangauer, Matthew J.; Bertozzi, Carolyn R.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Prescher, Jennifer A.; Hangauer, Matthew J.; Bertozzi, Carolyn R.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA USA. [Rajaiah, Gurram; Falck, John R.] Univ Texas SW Med Ctr Dallas, Dept Biochem, Dallas, TX 75390 USA. RP Berthiaume, LG (reprint author), Univ Alberta, Fac Med & Dent, Dept Cell Biol, Edmonton, AB T6G 2H7, Canada. EM luc.berthiaume@ualberta.ca OI Keller, Bernd/0000-0002-6154-5173; Berthiaume, Luc/0000-0003-0926-059X; Falck, John/0000-0002-9219-7845 FU Howard Hughes Medical Institute; NIGMS NIH HHS [R01 GM058867, GM58867, R37 GM058867, R01 GM031278] NR 66 TC 65 Z9 67 U1 2 U2 13 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 J9 FASEB J JI Faseb J. PD MAR PY 2008 VL 22 IS 3 BP 721 EP 732 DI 10.1096/fj.07-9199com PG 12 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA 276LQ UT WOS:000254143700011 PM 17971398 ER PT J AU Abbott, D Gea-Banacloche, J Davies, PCW Hameroff, S Zeilinger, A Eisert, J Wiseman, H Bezrukov, SM Frauenfelder, H AF Abbott, Derek Gea-Banacloche, Julio Davies, Paul C. W. Hameroff, Stuart Zeilinger, Anton Eisert, Jens Wiseman, Howard Bezrukov, Sergey M. Frauenfelder, Hans TI Plenary debate: Quantum effects in biology: trivial or not? SO FLUCTUATION AND NOISE LETTERS LA English DT Editorial Material C1 [Abbott, Derek] Univ Adelaide, CBME, Adelaide, SA 5005, Australia. [Abbott, Derek] Univ Adelaide, Dept Elect & Elect Engn, Adelaide, SA 5005, Australia. [Gea-Banacloche, Julio] Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA. [Davies, Paul C. W.] Arizona State Univ, Ctr Fdn Concepts Sci, Tempe, AZ 85287 USA. [Hameroff, Stuart] Univ Arizona, Ctr Consciousness Studies, Dept Anesthesiol & Psychol, Tucson, AZ 85721 USA. [Zeilinger, Anton] Univ Innsbruck, Inst Expt Phys, A-6020 Innsbruck, Austria. [Eisert, Jens] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, QOLS, London SW7 2BW, England. [Eisert, Jens] Univ London Imperial Coll Sci Technol & Med, Inst Math Sci, London SW7 2PE, England. [Wiseman, Howard] Griffith Univ, Ctr Quantrum Dynam, Ctr Quantrum Comp Technol, Brisbane, Qld 4111, Australia. [Bezrukov, Sergey M.] NICHHD, Lab Phys & Struct Biol, NIH, Bethesda, MD 20892 USA. [Frauenfelder, Hans] Los Alamos Natl Lab, Theroy Div T10, Los Alamos, NM 87545 USA. RP Abbott, D (reprint author), Univ Adelaide, CBME, Adelaide, SA 5005, Australia. RI Zeilinger, Anton/A-1170-2011; Wiseman, Howard/A-7266-2008; Quantum, CQD at IMS/D-2115-2010; Abbott, Derek/E-8352-2011; Gea-Banacloche, Julio/J-7546-2013; Eisert, Jens/D-9640-2017 OI Wiseman, Howard/0000-0001-6815-854X; Abbott, Derek/0000-0002-0945-2674; Gea-Banacloche, Julio/0000-0001-9482-9060; Eisert, Jens/0000-0003-3033-1292 NR 0 TC 11 Z9 11 U1 0 U2 13 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0219-4775 J9 FLUCT NOISE LETT JI Fluct. Noise Lett. PD MAR PY 2008 VL 8 IS 1 BP C5 EP C26 DI 10.1142/S0219477508004301 PG 22 WC Mathematics, Interdisciplinary Applications; Physics, Applied SC Mathematics; Physics GA 281IY UT WOS:000254491300002 ER PT J AU Marsh, GE AF Marsh, Gerald E. TI Charge, geometry, and effective mass SO FOUNDATIONS OF PHYSICS LA English DT Article DE Reissner-Nordstrom; charge; curvature ID GENERAL-RELATIVITY AB Charge, like mass in Newtonian mechanics, is an irreducible element of electromagnetic theory that must be introduced ab initio. Its origin is not properly a part of the theory. Fields are then defined in terms of forces on either masses-in the case of Newtonian mechanics, or charges in the case of electromagnetism. General Relativity changed our way of thinking about the gravitational field by replacing the concept of a force field with the curvature of space-time. Mass, however, remained an irreducible element. It is shown here that the Reissner-Nordstrom solution to the Einstein field equations tells us that charge, like mass, has a unique space-time signature. C1 Argonne Natl Lab Ret, Chicago, IL 60615 USA. RP Marsh, GE (reprint author), Argonne Natl Lab Ret, 5433 W View Pk, Chicago, IL 60615 USA. EM geraldemarsh63@yahoo.com NR 13 TC 3 Z9 3 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0015-9018 J9 FOUND PHYS JI Found. Phys. PD MAR PY 2008 VL 38 IS 3 BP 293 EP 300 DI 10.1007/s10701-008-9209-1 PG 8 WC Physics, Multidisciplinary SC Physics GA 270XS UT WOS:000253754100006 ER PT J AU Eberling, JL Bankiewicz, KS O'Neil, JP Jagust, WJ AF Eberling, Jamie L. Bankiewicz, Krystof S. O'Neil, James P. Jagust, William J. TI PET 6-[F-18]fluoro-L-m-tyrosine studies of dopaminergic function in human and nonhuman primates SO FRONTIERS IN HUMAN NEUROSCIENCE LA English DT Article DE dopamine; FMT; Patlak; PET ID PARKINSONIAN MONKEYS; HUMAN BRAIN; AAV-HAADC; MPTP; KINETICS; DISEASE; MODEL; THERAPY; ANALOGS AB Although positron emission tomography ( PET) and the aromatic L-amino acid decarboxylase (AADC) tracer 6-[F-18]fluoro-L-m-tyrosine (FMT) has been used to assess the integrity of the presynaptic dopamine system in the brain, relatively little has been published in terms of brain FMT uptake values especially for normal human subjects. Twelve normal volunteer subjects were scanned using PET and FMT to determine the range of normal striatal uptake values using Patlak graphical analysis. For comparison, seven adult rhesus monkeys were studied and the data analyzed in the same way. A subset of monkeys that were treated with a unilateral intracarotid artery infusion of the dopamine neurotoxin MPTP showed an 87% decrease in striatal FMT uptake. These findings support the use of PET and FMT to image AADC distribution in both normal and diseased brains using Patlak graphical analysis and tissue input functions. C1 [Eberling, Jamie L.; O'Neil, James P.; Jagust, William J.] Lawrence Berkeley Natl Lab, Dept Mol Imaging & Neurosci, Berkeley, CA 94720 USA. [Eberling, Jamie L.] Univ Calif Davis, Dept Neurol, Davis, CA 95616 USA. [Bankiewicz, Krystof S.] Univ Calif San Francisco, Dept Neurol Surg, San Francisco, CA 94143 USA. [Jagust, William J.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. RP Eberling, JL (reprint author), Lawrence Berkeley Natl Lab, Dept Mol Imaging & Neurosci, 1 Cyclotron Rd,Mail Stop 55-121, Berkeley, CA 94720 USA. EM jleberling@lbl.gov FU Avigen Inc.; Laboratory Technology Applications Division; Office of Energy under a CRADA; US DOE [DE-AC03-76SF00098] FX This work was supported by Avigen Inc. and by the Laboratory Technology Applications Division, Office of Energy under a CRADA ( Cooperative Research and Development Agreement) between the Lawrence Berkeley National Laboratory and Somatix Therapy, Alameda, CA, under US DOE Contract DE-AC03-76SF00098. NR 25 TC 0 Z9 0 U1 0 U2 0 PU FRONTIERS RES FOUND PI LAUSANNE PA PO BOX 110, LAUSANNE, 1015, SWITZERLAND SN 1662-5161 J9 FRONT HUM NEUROSCI JI Front. Hum. Neurosci. PD MAR PY 2008 VL 1 AR 9 DI 10.3389/neuro.09.009.2007 PG 5 WC Neurosciences; Psychology SC Neurosciences & Neurology; Psychology GA 470HR UT WOS:000267966300009 ER PT J AU DuRant, SE Romero, LM Talent, LG Hopkins, WA AF DuRant, Sarah E. Romero, L. Michael Talent, Larry G. Hopkins, William A. TI Effect of exogenous corticosterone on respiration in a reptile SO GENERAL AND COMPARATIVE ENDOCRINOLOGY LA English DT Article DE stress; bioenergetics; metabolism; lizard ID LIZARD SCELOPORUS-OCCIDENTALIS; BINDING GLOBULIN; PASSERINE BIRDS; FENCE LIZARD; PARUS-MAJOR; STRESS; METABOLISM; CORTISOL; STANDARD; THERMOREGULATION AB Release of glucocorticoids (GCs) enables organisms to meet energy requirements during stressful situations by regulating intermediary metabolism. In the absence of compensatory mechanisms, increased metabolic activity (e.g., protein catabolism, lipolysis, and gluconeogenesis) should translate to increases in whole animal metabolism, and therefore energy expenditures, by organisms. However, to our knowledge, no study has estimated the total energy cost of elevated plasma GCs in any organism. Here we evaluated the effect of exogenous corticosterone (CORT) on metabolism in captive western fence lizards (Sceloporus occidentalis) by conducting two experiments. In experiment I we deter-mined the dynamics of plasma CORT concentrations resulting from CORT injections. In experiment 11 we frequently measured changes in respiration for 24 h before and after CORT injection. Injection of 0.025 mu g/g (low CORT) and 0.40 mu g/g CORT (high CORT) produced up to 26-fold increases in plasma CORT in lizards 3 h following injection compared to baseline levels. Plasma CORT concentrations returned to baseline levels 6 h after injection. CORT increased metabolism in both low and high CORT lizards (up to 121% and 245%, respectively) during the first 7.5 h after CORT injections compared to pre-treatment trials. Respiration returned to baseline rates 7.5 h after CORT administration. A surprising finding was that although high CORT males achieved higher plasma CORT concentrations than high CORT females, the metabolic response of high CORT females was 30% greater than high CORT males. Our results suggest that GC-induced changes in respiration may be important for understanding the overall energetic implications of stress. (C) 2007 Elsevier Inc. All rights reserved. C1 [DuRant, Sarah E.; Hopkins, William A.] Virginia Polytech Inst & State Univ, Dept Fisheries & Wildlife Sci, Wildlife Ecotoxicol & Physiol Ecol Program, Blacksburg, VA 24061 USA. [DuRant, Sarah E.; Hopkins, William A.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Romero, L. Michael] Tufts Univ, Dept Biol, Medford, MA 02155 USA. [Talent, Larry G.] Oklahoma State Univ, Dept Nat Resource Ecol & Management, Stillwater, OK 74078 USA. RP Hopkins, WA (reprint author), Virginia Polytech Inst & State Univ, Dept Fisheries & Wildlife Sci, Wildlife Ecotoxicol & Physiol Ecol Program, Blacksburg, VA 24061 USA. EM hopkinsw@vt.edu NR 43 TC 29 Z9 29 U1 6 U2 23 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0016-6480 J9 GEN COMP ENDOCR JI Gen. Comp. Endocrinol. PD MAR 1 PY 2008 VL 156 IS 1 BP 126 EP 133 DI 10.1016/j.ygcen.2007.12.004 PG 8 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 273HV UT WOS:000253921900014 PM 18249406 ER PT J AU Yin, T DiFazio, SP Gunter, LE Zhang, X Sewell, MM Woolbright, SA Allan, GJ Kelleher, CT Douglas, CJ Wang, M Tuskan, GA AF Yin, Tongming DiFazio, Stephen P. Gunter, Lee E. Zhang, Xinye Sewell, Michell M. Woolbright, Scott A. Allan, Gery J. Kelleher, Collin T. Douglas, Carl J. Wang, Mingxiu Tuskan, Gerald A. TI Genome structure and emerging evidence of an incipient sex chromosome in Populus SO GENOME RESEARCH LA English DT Article ID GENETIC-MAP; SUPPRESSED RECOMBINATION; LYCOPERSICON-ESCULENTUM; DIOECIOUS PLANTS; LINKAGE MAPS; SEGREGATION; RESISTANCE; GROWTH; L.; CONSTRUCTION AB The genus Populus consists of dioecious woody species with largely unknown genetic mechanisms for gender determination. We have discovered genetic and genomic features in the peritelomeric region of chromosome XIX that suggest this region of the Populus genome is in the process of developing characteristics of a sex chromosome. We have identified a gender-associated locus that consistently maps to this region. Furthermore, comparison of genetic maps across multiple Populus families reveals consistently distorted segregation within this region. We have intensively characterized this region using an F, interspecific cross involving the female genotype that was used for genome sequencing. This region shows suppressed recombination and high divergence between the alternate haplotypes, as revealed by dense map-based genome assembly using microsatellite markers. The suppressed recombination, distorted segregation, and haplotype divergence were observed only for the maternal parent in this cross. Furthermore, the progeny of this cross showed a strongly male-biased sex ratio, in agreement with Haldane's rule that postulates that the heterogametic sex is more likely to be absent, rare, or sterile in interspecific crosses. Together, these results support the role of chromosome XIX in sex determination and suggest that sex determination in Populus occurs through a ZW system in which the female is the heterogametic gender. C1 [Yin, Tongming; Gunter, Lee E.; Sewell, Michell M.; Tuskan, Gerald A.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [DiFazio, Stephen P.] W Virginia Univ, Dept Biol, Morgantown, WV 26506 USA. [Zhang, Xinye; Tuskan, Gerald A.] Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA. [Woolbright, Scott A.; Allan, Gery J.] No Arizona Univ, Environm Genet & Gen Lab, Flagstaff, AZ 86011 USA. [Kelleher, Collin T.] Natl Bot Garden, Dublin 9, Ireland. [Douglas, Carl J.] Univ British Columbia, Dept Bot, Vancouver, BC V6T 1Z4, Canada. [Wang, Mingxiu] Nanjing Forestry Univ, Key Lab Forest Genet & Gene Engn, Nanjing 210037, Peoples R China. RP Tuskan, GA (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. EM tuskanga@ornl.gov RI Tuskan, Gerald/A-6225-2011; Douglas, Carl/B-1384-2013; Woolbright, Scott/B-4354-2012; Gunter, Lee/L-3480-2016 OI Tuskan, Gerald/0000-0003-0106-1289; Woolbright, Scott/0000-0002-7886-1009; Gunter, Lee/0000-0003-1211-7532 NR 54 TC 108 Z9 122 U1 5 U2 41 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI WOODBURY PA 500 SUNNYSIDE BLVD, WOODBURY, NY 11797-2924 USA SN 1088-9051 J9 GENOME RES JI Genome Res. PD MAR PY 2008 VL 18 IS 3 BP 422 EP 430 DI 10.1101/gr.7076308 PG 9 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity GA 271CO UT WOS:000253766700008 PM 18256239 ER PT J AU Gok, R Mahdi, H Al-Shukri, H Rodgers, AJ AF Goek, Rengin Mahdi, Hanan Al-Shukri, Haydar Rodgers, Arthur J. TI Crustal structure of Iraq from receiver functions and surface wave dispersion: implications for understanding the deformation history of the Arabian-Eurasian collision SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Article DE body waves; surface waves and free oscillations; continental tectonics; compressional; crustal structure ID TURKISH-IRANIAN PLATEAU; SURROUNDING REGIONS; LITHOSPHERIC STRUCTURE; GROUP VELOCITIES; JOINT INVERSION; EASTERN TURKEY; MOUNTAIN BELT; SOUTHERN IRAN; MIDDLE-EAST; BENEATH AB We report the crustal structure for two locations in Iraq estimated by joint inversion of P-wave receiver functions (RFs) and surface (Rayleigh) wave group velocity dispersion. RFs were computed from teleseismic recordings at two temporary broad-band seismic stations located in Mosul (MSL) in the Zagros Fold Belt and Baghdad (BHD) in the Mesopotamian Foredeep. Group velocity dispersion curves at the sites were derived from continental-scale tomography. The inversion results show that the crustal thicknesses are 39 km at MSL and 43 km at BHD. We observe a strong Ps(Moho) at BHD consistent with a sharp Moho discontinuity. However, at MSL we observe a weak Ps(Moho) suggesting a transitional Moho where crustal thickening is likely to be occurring in the deep crust. Both sites reveal low velocity surface layers consistent with sedimentary thickness of about 3 km at station MSL and 7 km at BHD and agreeing well with the previous reports. Ignoring the sediments, the crystalline crustal velocities and thicknesses are remarkably similar at both stations. The similarity of crustal structure suggests that the crust of the northeastern proto-Arabian Platform was uniform before subsidence and deposition of the sediments in the Cenozoic. If crystalline crustal structure is uniform across the northern Arabian Platform then crustal thickness variations in the Zagros Fold Belt and Thrust Zone should reveal the history of deformation and crustal shortening in the Arabian-Eurasian collision zone and not reflect pre-existing crustal thickness variations in the Arabian Plate. C1 [Goek, Rengin; Rodgers, Arthur J.] Lawrence Livermore Natl Lab, Earth & Life Sci Directorate, Atmospher Earth & Energy Div, Livermore, CA 94550 USA. [Mahdi, Hanan; Al-Shukri, Haydar] Univ Arkansas, Dept Appl Sci, Little Rock, AR 72204 USA. RP Gok, R (reprint author), Lawrence Livermore Natl Lab, Earth & Life Sci Directorate, Atmospher Earth & Energy Div, Livermore, CA 94550 USA. EM gok1@llnl.gov RI Rodgers, Arthur/E-2443-2011; Gok, Rengin/O-6639-2014 NR 47 TC 26 Z9 26 U1 0 U2 5 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0956-540X J9 GEOPHYS J INT JI Geophys. J. Int. PD MAR PY 2008 VL 172 IS 3 BP 1179 EP 1187 DI 10.1111/j.1365-246X.2007.03670.x PG 9 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 259UG UT WOS:000252965800022 ER PT J AU Slater, L Ntarlagiannis, D Yee, N O'Brien, M Zhang, C Williams, KH AF Slater, Lee Ntarlagiannis, Dimitrios Yee, Nathan O'Brien, Michael Zhang, Chi Williams, Kenneth H. TI Electrodic voltages in the presence of dissolved sulfide: Implications for monitoring natural microbial activity SO GEOPHYSICS LA English DT Article ID REDOX CONDITIONS; MICROORGANISMS; GROUNDWATER; REDUCTION; NANOWIRES; SEDIMENTS AB There is growing interest in the development of new monitoring strategies for obtaining spatially extensive data diagnostic of microbial processes occurring in the earth. Open-circuit potentials arising from variable redox conditions in the fluid local-to-electrode surfaces (electrodic potentials) were recorded for a pair of silver-silver chloride electrodes in a column experiment, whereby a natural wetland soil containing a known community of sulfate reducers was continuously fed with a sulfate-rich nutrient medium. Measurements were made between five electrodes equally spaced along the column and a reference electrode placed on the column inflow. The presence of a sulfate reducing microbial population, coupled with observations of decreasing sulfate levels, formation of black precipitate (likely iron sulfide), elevated solid phase sulfide, and a characteristic sulfurous smell, suggest microbial-driven sulfate reduction (sulfide generation) in our Column. Based on the known sensitivity of a silver electrode to dissolved sulfide concentration, we interpret the electrodic potentials approaching 700 mV recorded in this experiment as an indicator of the bisulfide (HS-) concentration gradients in the column. The measurement of the spatial and temporal variation in these electrodic potentials provides a simple and rapid method for monitoring patterns of relative HS- concentration that are indicative of the activity of sulfate-reducing bacteria. Our measurements have implications both for the autonomous monitoring of anaerobic microbial processes in the subsurface and the performance of self-potential electrodes, where it is critical to isolate, and perhaps quantity, electrochemical interfaces contributing to observed potentials. C1 [Slater, Lee; Ntarlagiannis, Dimitrios; O'Brien, Michael; Zhang, Chi] Rutgers State Univ, Dept Earth & Environm Sci, Newark, NJ USA. [Yee, Nathan] Rutgers State Univ, Dept Environm Sci, New Brunswick, NJ USA. [Williams, Kenneth H.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Slater, L (reprint author), Rutgers State Univ, Dept Earth & Environm Sci, Newark, NJ USA. EM lslater@andromedia.rutgers.edu; d.ntarlagiannis@qub.ac.uk; nyee@envsci.rutgers.edu; chizhang@pegasus.rutgers.edu; khwilliams@lbl.gov RI Williams, Kenneth/O-5181-2014 OI Williams, Kenneth/0000-0002-3568-1155 NR 28 TC 9 Z9 9 U1 0 U2 11 PU SOC EXPLORATION GEOPHYSICISTS PI TULSA PA 8801 S YALE ST, TULSA, OK 74137 USA SN 0016-8033 EI 1942-2156 J9 GEOPHYSICS JI Geophysics PD MAR-APR PY 2008 VL 73 IS 2 BP F65 EP F70 DI 10.1190/1.2828977 PG 6 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 279KF UT WOS:000254353400016 ER PT J AU Sims, KWW Gill, JB Dosseto, A Hoffmann, DL Lundstrom, CC Williams, RW Ball, L Tollstrup, D Turner, S Prytulak, J Glessner, JJG Standish, JJ Elliott, T AF Sims, Kenneth W. W. Gill, James B. Dosseto, Anthony Hoffmann, Dirk L. Lundstrom, Craig C. Williams, Ross W. Ball, Lary Tollstrup, Darren Turner, Simon Prytulak, Julie Glessner, Justin J. G. Standish, J. J. Elliott, Tim TI An inter-laboratory assessment of the thorium isotopic composition of synthetic and rock reference materials SO GEOSTANDARDS AND GEOANALYTICAL RESEARCH LA English DT Article DE thorium; isotope ratios; rock reference materials; MC-ICP-MS; consensus values ID MASS-SPECTROMETRY; VOLCANIC-ROCKS; ARENAL VOLCANO; MC-ICPMS; TH; DISEQUILIBRIA; BENEATH; MANTLE; DIFFERENTIATION; TH-230/TH-232 AB We present a concerted international effort to cross-calibrate five synthetic Th isotope reference materials (UCSC Th "A", OU Th "U", WUN, IRMM-35 and IRMM-36), and six rock reference materials (UCSC TML, Icelandic ATHO, USGS BCR-2, USGS W-2, USGS BHVO-2, LV18) using multi-collector inductively coupled plasma-mass spectrometry (MC-ICP-MS). We then compare our new values with a compilation of literature mass spectrometric data for these reference materials and derive recommended "consensus" Th-230/Th-232 values for each. We also present isotope dilution U and Th concentration data for four rock reference materials (UCSC TML, Icelandic ATHO, USGS BCR-2, USGS W-2). C1 [Sims, Kenneth W. W.; Standish, J. J.] Woods Hole Oceanog Inst, Dept Geol & Geophys, Woods Hole, MA 02543 USA. [Gill, James B.; Tollstrup, Darren] Univ Calif Santa Cruz, Santa Cruz, CA 95604 USA. [Dosseto, Anthony; Turner, Simon] Macquarie Univ, GEMOC Natl Key Ctr, Sydney, NSW 2109, Australia. [Hoffmann, Dirk L.; Prytulak, Julie; Elliott, Tim] Univ Bristol, Bristol Isotope Grp, Bristol BS8 1RJ, Avon, England. [Lundstrom, Craig C.; Glessner, Justin J. G.] Univ Illinois, Dept Geol, Urbana, IL 61801 USA. [Williams, Ross W.] Lawrence Livermore Natl Lab, Chem Biol & Nucl Sci Div, Livermore, CA 94551 USA. RP Sims, KWW (reprint author), Woods Hole Oceanog Inst, Dept Geol & Geophys, Woods Hole, MA 02543 USA. EM ksims@whoi.edu RI GAU, geochemist/H-1985-2016; OI Dosseto, Anthony/0000-0002-3575-0106; Hoffmann, Dirk/0000-0002-9245-2041 NR 31 TC 93 Z9 93 U1 4 U2 25 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1639-4488 J9 GEOSTAND GEOANAL RES JI Geostand. Geoanal. Res. PD MAR PY 2008 VL 32 IS 1 BP 65 EP 91 DI 10.1111/j.1751-908X.2008.00870.x PG 27 WC Geosciences, Multidisciplinary SC Geology GA 274DQ UT WOS:000253982400005 ER PT J AU Pritchard, SG Strand, AE McCormack, ML Davis, MA Finzi, AC Jackson, RB Matamala, R Rogers, HH Oren, R AF Pritchard, Seth G. Strand, Allan E. McCormack, M. Luke Davis, Micheal A. Finzi, Adrien C. Jackson, Robert B. Matamala, Roser Rogers, Hugo H. Oren, Ram TI Fine root dynamics in a loblolly pine forest are influenced by free-air-CO2-enrichment: a six-year-minirhizotron study SO GLOBAL CHANGE BIOLOGY LA English DT Article DE elevated carbon dioxide; fine roots; minirhizotrons; root turnover ID ELEVATED ATMOSPHERIC CO2; PROGRESSIVE NITROGEN LIMITATION; NORTHERN HARDWOOD FOREST; CARBON SEQUESTRATION; TEMPERATE FOREST; SOIL CARBON; PONDEROSA PINE; CONTRASTING RESPONSES; VERTICAL-DISTRIBUTION; SHORTGRASS STEPPE AB Efforts to characterize carbon (C) cycling among atmosphere, forest canopy, and soil C pools are hindered by poorly quantified fine root dynamics. We characterized the influence of free-air-CO2-enrichment (ambient +200 ppm) on fine roots for a period of 6 years (Autumn 1998 through Autumn 2004) in an 18-year-old loblolly pine (Pinus taeda) plantation near Durham, NC, USA using minirhizotrons. Root production and mortality were synchronous processes that peaked most years during spring and early summer. Seasonality of fine root production and mortality was not influenced by atmospheric CO2 availability. Averaged over all 6 years of the study, CO2 enrichment increased average fine root standing crop (+23%), annual root length production (+25%), and annual root length mortality (+36%). Larger increase in mortality compared with production with CO2 enrichment is explained by shorter average fine root lifespans in elevated plots (500 days) compared with controls (574 days). The effects of CO2-enrichment on fine root proliferation tended to shift from shallow (0-15 cm) to deeper soil depths (15-30) with increasing duration of the study. Diameters of fine roots were initially increased by CO2-enrichment but this effect diminished over time. Averaged over 6 years, annual fine root NPP was estimated to be 163 g dw m(-2) yr(-1) in CO2-enriched plots and 130 g dw m(-2) yr(-1) in control plots (P = 0.13) corresponding to an average annual additional input of fine root biomass to soil of 33 g m(-2) yr(-1) in CO2-enriched plots. A lack of consistent CO2 x year effects suggest that the positive effects of CO2 enrichment on fine root growth persisted 6 years following minirhizotron tube installation (8 years following initiation of the CO2 fumigation). Although CO2-enrichment contributed to extra flow of C into soil in this experiment, the magnitude of the effect was small suggesting only modest potential for fine root processes to directly contribute to soil C storage in south-eastern pine forests. C1 [Pritchard, Seth G.; Strand, Allan E.; McCormack, M. Luke] Coll Charleston, Dept Biol, Charleston, SC 29401 USA. [Davis, Micheal A.] Univ So Mississippi, Hattiesburg, MS 39406 USA. [Oren, Ram] Duke Univ, Nicholas Sch Environm & Earth Sci, Durham, NC 27708 USA. [Matamala, Roser] Argonne Natl Lab, Argonne, IL 60439 USA. [Rogers, Hugo H.] USDA ARS, Natl Soil Dynam Lab, Auburn, AL 36832 USA. RP Pritchard, SG (reprint author), Coll Charleston, Dept Biol, Charleston, SC 29401 USA. EM pritchards@cofc.edu RI Finzi, Adrien/A-7017-2016 OI Finzi, Adrien/0000-0003-2220-4533 NR 92 TC 85 Z9 89 U1 7 U2 51 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1354-1013 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD MAR PY 2008 VL 14 IS 3 BP 588 EP 602 DI 10.1111/j.1365-2486.2007.01523.x PG 15 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 259HH UT WOS:000252929900012 ER PT J AU Conaghan, P Casler, MD McGilloway, DA O'Kiely, P Dowley, LJ AF Conaghan, P. Casler, M. D. McGilloway, D. A. O'Kiely, P. Dowley, L. J. TI Genotype x environment interactions for herbage yield of perennial ryegrass sward plots in Ireland SO GRASS AND FORAGE SCIENCE LA English DT Article DE perennial ryegrass; forage yield; genotype x environment interactions; variance components; resource allocation ID FORAGE GRASS TRIALS; LOLIUM-PERENNE; VARIABILITY; VARIETIES; PERMANENT; PRECISION; QUALITY AB Perennial ryegrass (Lolium perenne L.) is by far the most widely sown grass species in Ireland. Genotype x environment (G x E) interactions are a frequent occurrence in herbage yield evaluations. The objectives were to determine (i) the nature and relative magnitudes of the pertinent G x E interaction variance components for dry matter yield of perennial ryegrass sward plots in Ireland and (ii) the optimal allocation of replicates, locations and years in a testing programme. Sixteen perennial ryegrass cultivars were sown at six locations throughout Ireland between 2000 and 2004. Plots from each sowing were harvested for 2 consecutive years under a simulated mixed grazing and conservation management programme. The largest component of the G x E variance was generally genotype x location x year emphasizing the need for evaluation of genotypes across locations and years to adequately characterize genotypes for differences in yield. Relative differences among genotypes from year to year and location to location were due mainly to changes in genotype rankings. Weather was estimated to have a greater effect on annual variation in herbage yield than age of stand. The optimum allocation of resources for a testing programme was estimated at four replicates per location, and either two locations and 3 sowing years or three locations and 2 sowing years with 2 harvest years for each sowing year. The most appropriate option depends on the relative importance of time vs. financial resources. C1 [Conaghan, P.; Dowley, L. J.] Teagasc, Oak Pk Res Ctr, Carlow, Co Carlow, Ireland. [Casler, M. D.] USDA ARS, US Dairy Forage Res Ctr, Madison, WI 53706 USA. [McGilloway, D. A.] Crop Testing Ctr, Dept Agr & Food, Leixlip, Kildare, Ireland. [O'Kiely, P.] Teagasc, Grange Beef Res Ctr, Dunsany, Meath, Ireland. RP Conaghan, P (reprint author), Teagasc, Oak Pk Res Ctr, Carlow, Co Carlow, Ireland. EM patrick.conaghan@teagasc.ie NR 27 TC 22 Z9 22 U1 0 U2 7 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0142-5242 J9 GRASS FORAGE SCI JI Grass Forage Sci. PD MAR PY 2008 VL 63 IS 1 BP 107 EP 120 DI 10.1111/j.1365-2494.2007.00618.x PG 14 WC Agronomy SC Agriculture GA 262AI UT WOS:000253121000010 ER PT J AU O'Brien, M O'Kiely, P Forristal, PD Fuller, HT AF O'Brien, M. O'Kiely, P. Forristal, P. D. Fuller, H. T. TI Fungal contamination of big-bale grass silage on Irish farms: predominant mould and yeast species and features of bales and silage SO GRASS AND FORAGE SCIENCE LA English DT Article DE baled silage; mould; yeast; Penicillium roqueforti; Penicillium paneum; Schizophyllum commune ID PENICILLIUM-ROQUEFORTI THOM; GROWTH; GRAIN; IDENTIFICATION; SCHIZOPHYLLUM; MYCOTOXINS; IRELAND; MAIZE; ACID AB The extent of visible fungal growth and the identity of the predominant fungi causing spoilage of baled grass silage were recorded on 180 farms in Ireland. Fungal growth was evident on bales on 174 of the 180 farms visited and on 331 of the 360 bales examined. The mean proportion of surface area of bale, that was affected, was 0.06. Silage-making method, storage characteristics and geographical location were significantly associated with the level of fungal contamination on bales. Fungal contamination was higher (P < 0.001) in bales where the surrounding polythene stretch-film was visibly damaged compared with bales where the film appeared intact. A strong positive relationship was found between polythene film damage and dry-matter content of the silage. The predominant fungus affecting the largest numbers of bales was Penicillium roqueforti. Other fungi frequently isolated included Schizophyllum commune, Pichia fermentans and Penicillium paneum. The distribution of individual fungi on bales was associated with geographical location, weather at harvest, and lactic and butyric acid concentrations of the silage. Penicillium roqueforti and P. paneum were more common on bales harvested in dry weather and with higher concentrations of butyric and propionic acids in the silage. Overall, a high incidence of visible fungal growth was recorded on bales throughout the country and the extent of colonization and fungal species occurring were not random. C1 [O'Brien, M.; O'Kiely, P.] Teagasc, Grange Beef Res Ctr, Dunsany, Meath, Ireland. [O'Brien, M.; Fuller, H. T.] Univ Coll Dublin, Coll Life Sci, Sch Biol & Environm Sci, Dublin 4, Ireland. [Forristal, P. D.] Teagasc, Crops Res Ctr, Oak Park, Co Carlow, Ireland. RP O'Brien, M (reprint author), Teagasc, Grange Beef Res Ctr, Dunsany, Meath, Ireland. EM martin.obrien@teagasc.ie OI O'Brien, Martin/0000-0003-1096-1991 NR 49 TC 23 Z9 23 U1 0 U2 13 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0142-5242 J9 GRASS FORAGE SCI JI Grass Forage Sci. PD MAR PY 2008 VL 63 IS 1 BP 121 EP 137 DI 10.1111/j.1365-2494.2007.00620.x PG 17 WC Agronomy SC Agriculture GA 262AI UT WOS:000253121000011 ER PT J AU Tidwell, VC van den Brink, C AF Tidwell, Vincent C. van den Brink, Cors TI Cooperative modeling: Linking science, communication, and ground water planning SO GROUND WATER LA English DT Article ID SYSTEM DYNAMICS; MANAGEMENT AB Equitable allocation of ground water resources is a growing challenge due to both the increasing demand for water and the competing values placed on its use. While scientists can contribute to a technically defensible basis for water resource planning, this framework must be cast in a broader societal and environmental context. Given the complexity and often contentious nature of resource allocation, success requires a process for inclusive and transparent sharing of ideas complemented by tools to structure, quantify, and visualize the collective understanding and data, providing an informed basis of dialogue, exploration, and decision making. Ideally, a process that promotes shared learning leading to cooperative and adaptive planning decisions. While variously named, mediated modeling, group modeling, cooperative modeling, shared vision planning, or computer-mediated collaborative decision making are similar approaches aimed at meeting these objectives. In this paper, we frame "cooperative modeling" in the context of ground water planning and illustrate the process with two brief examples. C1 [Tidwell, Vincent C.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [van den Brink, Cors] Royal Haskoning, Groningen, Netherlands. RP Tidwell, VC (reprint author), Sandia Natl Labs, POB 5800,MS 1350, Albuquerque, NM 87185 USA. EM vctidwe@sandia.gov; c.vandenbrink@royalhaskoning.com OI Tidwell, Vincent/0000-0002-4954-897X NR 46 TC 25 Z9 25 U1 2 U2 13 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0017-467X J9 GROUND WATER JI Ground Water PD MAR-APR PY 2008 VL 46 IS 2 BP 174 EP 182 DI 10.1111/j.1745-6584.2007.00394.x PG 9 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA 271TQ UT WOS:000253812000003 PM 18194321 ER PT J AU Baldwin, BR Peacock, AD Park, M Ogles, DM Istok, JD McKinley, JP Resch, CT White, DC AF Baldwin, B. R. Peacock, A. D. Park, M. Ogles, D. M. Istok, J. D. McKinley, J. P. Resch, C. T. White, D. C. TI Multilevel samplers as microcosms to assess microbial response to biostimulation SO GROUND WATER LA English DT Article ID URANIUM-CONTAMINATED AQUIFER; SULFATE-REDUCING BACTERIA; PUSH-PULL TEST; SUBSURFACE SEDIMENTS; COMMUNITY STRUCTURE; FE(III) REDUCTION; FLOW CONDITIONS; GROUNDWATER; DIVERSITY; BIOREMEDIATION AB Passive multilevel samplers (MLS) containing a solid matrix for microbial colonization were used as in situ microcosms in conjunction with a push-pull biostimulation experiment designed to promote biological U(VI) and Tc(VII) reduction. MLS were deployed at 24 elevations in the injection well and two downgradient wells to investigate the spatial variability in microbial community composition and growth prior to and following biostimulation. The microbial community was characterized by real-time quantitative polymerase chain reaction (Q-PCR) quantification of bacteria, NO3--reducing bacteria (nirS and nirK), delta-proteobacteria, Geobacter sp., and methanogens (mcrA). Pretest cell densities were low overall but varied substantially with significantly greater bacterial populations detected at circumneutral pH (t-test, alpha=0.05), suggesting carbon substrate and low pH limitations of microbial activity. Although pretest cell densities were low, denitrifying bacteria were dominant members of the microbial community. Biostimulation with an ethanol-amended ground water resulted in concurrent NO3- and Tc(VII) reduction, followed by U(VI) reduction. Q-PCR analysis of MLS revealed significant (1 to 2 orders of magnitude, Mann - Whitney U-test, alpha=0.05) increases in cell densities of bacteria, denitrifiers, delta-proteobacteria, Geobacter sp., and methanogens in response to biostimulation. Traditionally, characterization of sediment samples has been used to investigate the microbial community response to biostimulation; however, collection of sediment samples is expensive and not conducive to deep aquifers or temporal studies. The results presented demonstrate that push-pull tests with passive MLS provide an inexpensive approach to determine the effect of biostimulation contaminant concentrations, geochemical conditions, and the microbial community composition and function. C1 [Baldwin, B. R.; Peacock, A. D.; White, D. C.] Univ Tennessee, Ctr Biomarker Anal, Knoxville, TN 37932 USA. [Park, M.] Oregon State Univ, Dept Civil Engn, Corvallis, OR 97331 USA. [Ogles, D. M.] Microbial Insights, Rockford, TN 37853 USA. [McKinley, J. P.; Resch, C. T.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Baldwin, BR (reprint author), Univ Tennessee, Ctr Biomarker Anal, Knoxville, TN 37932 USA. EM bbaldwin@utk.edu NR 42 TC 13 Z9 13 U1 1 U2 15 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0017-467X J9 GROUND WATER JI Ground Water PD MAR-APR PY 2008 VL 46 IS 2 BP 295 EP 304 DI 10.1111/j.1745-6584.2007.00411.x PG 10 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA 271TQ UT WOS:000253812000014 PM 18194316 ER PT J AU Rotmensch, J Chen, L AF Rotmensch, J. Chen, L. TI Development of nanophage viral particles for imaging and therapy of gynecologic malignancies SO GYNECOLOGIC ONCOLOGY LA English DT Meeting Abstract C1 [Rotmensch, J.] Rush Univ, Med Ctr, Chicago, IL 60612 USA. [Chen, L.] Argonne Natl Lab, Chicago, IL USA. NR 0 TC 0 Z9 0 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 0090-8258 J9 GYNECOL ONCOL JI Gynecol. Oncol. PD MAR PY 2008 VL 108 IS 3 SU 1 MA 197 BP S88 EP S88 PG 1 WC Oncology; Obstetrics & Gynecology SC Oncology; Obstetrics & Gynecology GA 271XO UT WOS:000253822200199 ER PT J AU Lobascio, C Briccarello, M Destefanis, R Faraud, M Gialanella, G Grossi, G Guarnieri, V Manti, L Pugliese, M Rusek, A Scampoli, P Durante, M AF Lobascio, C. Briccarello, M. Destefanis, R. Faraud, M. Gialanella, G. Grossi, G. Guarnieri, V. Manti, L. Pugliese, M. Rusek, A. Scampoli, P. Durante, M. TI Accelerator-based tests of radiation shielding properties of materials used in human space infrastructures SO HEALTH PHYSICS LA English DT Article DE accelerators; carcinogenesis; chromosomal aberration; shielding ID GALACTIC COSMIC-RAYS; EXPOSURE; EXPLORATION; PROTECTION; METAPHASE; MISSIONS; STATION; FE-56 AB Shielding is the only practical countermeasure for the exposure to cosmic radiation during space travel. It is well known that light, hydrogenated materials, such as water and polyethylene, provide the best shielding against space radiation. Kevlar and Nextel are two materials of great interest for spacecraft shielding because of their known ability to protect human space infrastructures from meteoroids and debris. We measured the response to simulated heavy-ion cosmic radiation of these shielding materials and compared it to polyethylene, Lucite (PMMA), and aluminum. As proxy to galactic nuclei we used 1 GeV n(-1) iron or titanium ions. Both physics and biology tests were performed. The results show that Kevlar, which is rich in carbon atoms (about 50% in number), is an excellent space radiation shielding material. Physics tests show that its effectiveness is close (80-90%) to that of polyethylene, and biology data suggest that it can reduce the chromosomal damage more efficiently than PMMA. Nextel is less efficient as a radiation shield, and the expected reduction on dose is roughly half that provided by the same mass of polyethylene. Both Kevlar and Nextel are more effective than aluminum in the attenuation of heavy-ion dose. C1 [Gialanella, G.; Grossi, G.; Manti, L.; Pugliese, M.; Scampoli, P.; Durante, M.] Univ Federico II, Dept Phys & INFN, I-80126 Naples, Italy. [Rusek, A.] Brookhaven Natl Lab, NASA, Space Radiat Lab, Upton, NY 11973 USA. RP Durante, M (reprint author), Univ Federico II, Dipartimento Sci Fis, Via Cintia, I-80126 Naples, Italy. EM Marco.Durante@na.infn.it RI Durante, Marco/K-1315-2014; OI Durante, Marco/0000-0002-4615-553X NR 28 TC 18 Z9 18 U1 1 U2 11 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 MAR PY 2008 VL 94 IS 3 BP 242 EP 247 PG 6 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 263XN UT WOS:000253249900003 PM 18301097 ER PT J AU Miller, G Martz, H Little, T Bertelli, L AF Miller, G. Martz, H. Little, T. Bertelli, L. TI Bayesian hypothesis testing - Use in interpretation of measurements SO HEALTH PHYSICS LA English DT Article DE bioassay; biostatistics; dosimetry; internal; modeling; dose assessment ID INTERNAL DOSIMETRY AB Bayesian hypothesis testing may be used to qualitatively interpret a dataset as indicating something "detected" or not. Hypothesis testing is shown to be equivalent to testing the posterior distribution for positive true amounts by redefining the prior to be a mixture of the original prior and a delta-function component at 0 representing the null hypothesis that nothing is truly present. The hypothesis-testing interpretation of the data is based on the posterior probability of the usual modeling hypothesis relative to the null hypothesis. Real numerical examples are given and discussed, including the distribution of the non-null hypothesis probability over 4,000 internal dosimetry cases. Currently used comparable methods based on classical statistics are discussed. C1 [Miller, G.; Bertelli, L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Miller, G (reprint author), Los Alamos Natl Lab, MS E546, Los Alamos, NM 87545 USA. EM guthrie@lanl.gov NR 14 TC 3 Z9 3 U1 0 U2 1 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 MAR PY 2008 VL 94 IS 3 BP 248 EP 254 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 263XN UT WOS:000253249900004 PM 18301098 ER PT J AU Samudrala, G Qiu, W Catledge, SA Harrison, JG Vohra, YK Weir, ST AF Samudrala, Gopi Qiu, Wei Catledge, Shane A. Harrison, Joseph G. Vohra, Yogesh K. Weir, Samuel T. TI Growth chemistry for the fabrication of designer diamonds for high pressure research SO HIGH PRESSURE RESEARCH LA English DT Article DE designer anvils; high pressure; diamond growth ID CHEMICAL-VAPOR-DEPOSITION; NITROGEN ADDITION; HOMOEPITAXIAL GROWTH; FILMS; CVD AB We report our observations on the catalytic effect of nitrogen in the growth of diamond on top of a diamond anvil substrate by microwave plasma chemical vapor deposition technique. The diamond deposition experiments were carried out by varying the nitrogen content in the range 0-3500 ppm in a standard hydrogen/methane/oxygen plasma. We employ isotopically enriched C-13 methane gas as the source of carbon in the plasma to clearly distinguish the grown diamond layer from the underlying substrate using Raman spectroscopy. The measured diamond growth rate shows a sharp peak at a nitrogen content of 1000 ppm in our growth experiments carried out at 1212 degrees C and atomic force microscopy reveals a dramatic change in surface morphology. Thermodynamic calculations of the plasma show that this growth enhancement could be the result of a competition between the CN and CH3 radicals in the plasma. Finally, we show an application of this 'unique chemistry' by synthesizing several designer diamonds with embedded sensors for high-pressure materials research experiments. C1 [Samudrala, Gopi; Qiu, Wei; Catledge, Shane A.; Harrison, Joseph G.; Vohra, Yogesh K.] Univ Alabama, Dept Phys, Birmingham, AL 35294 USA. [Weir, Samuel T.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Vohra, YK (reprint author), Univ Alabama, Dept Phys, Birmingham, AL 35294 USA. EM ykvohra@uab.edu RI Weir, Samuel/H-5046-2012 NR 14 TC 3 Z9 3 U1 1 U2 4 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 MAR PY 2008 VL 28 IS 1 BP 1 EP 8 DI 10.1080/08957950701846125 PG 8 WC Physics, Multidisciplinary SC Physics GA 291OU UT WOS:000255207500001 ER PT J AU Muthu, DS Chen, B Cook, BA Kruger, MB AF Muthu, Dy. S. Chen, B. Cook, B. A. Kruger, M. B. TI Effects of sample preparation on the mechanical properties of AlMgB14 SO HIGH PRESSURE RESEARCH LA English DT Article DE X-ray scattering; high pressure; mechanical alloying ID MGALB14; BORIDES AB Using synchrotron-based x-ray diffraction we have studied the behaviour of two different preparations of the super hard material AlMgB14 at pressures up to 41 Gpa. Analysis of lattice parameter data from the high-pressure x-ray measurements provides a bulk modulus (K) of 196 GPa and a pressure derivative of the bulk modulus (K') of 4.2 for sample 1, which was prepared by comminuting the elements and then hot pressing the sample. For sample 2, which was prepared by comminuting the elements and then cold pressing, K = 264 GPa and K' = 3.7. The differences in K and K' clearly demonstrate that sample preparation significantly affects the mechanical properties of AlMgB14. C1 [Muthu, Dy. S.; Kruger, M. B.] Univ Missouri, Dept Phys, Kansas City, MO 64110 USA. [Muthu, Dy. S.] Indian Inst Sci, Dept Phys, Bangalore 560012, Karnataka, India. [Chen, B.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Cook, B. A.] Iowa State Univ, Ames Lab, Ames, IA USA. RP Kruger, MB (reprint author), Univ Missouri, Dept Phys, Kansas City, MO 64110 USA. EM krugerm@umkc.edu NR 11 TC 15 Z9 15 U1 1 U2 10 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 MAR PY 2008 VL 28 IS 1 BP 63 EP 68 DI 10.1080/08957950701846893 PG 6 WC Physics, Multidisciplinary SC Physics GA 291OU UT WOS:000255207500008 ER PT J AU Kirz, J AF Kirz, Janos TI The martians of science - Five physicists who changed the twentieth century SO HUNGARIAN QUARTERLY LA English DT Book Review C1 [Kirz, Janos] SUNY Stony Brook, New York, NY USA. [Kirz, Janos] Lawrence Berkeley Lab, Berkeley, CA USA. RP Kirz, J (reprint author), SUNY Stony Brook, New York, NY USA. NR 3 TC 1 Z9 1 U1 0 U2 0 PU M T I PI BUDAPEST PA 8 NAPHEGY TER, H-1016 BUDAPEST, HUNGARY SN 0028-5390 J9 HUNG QUART JI Hung. Q. PD SPR PY 2008 VL 49 IS 189 BP 129 EP 132 PG 4 WC Literary Reviews SC Literature GA 281AH UT WOS:000254468000022 ER PT J AU Plaisant, C Grinstein, G Scholtz, J Whiting, M O'Connell, T Laskowski, S Chien, L Tat, A Wright, W Gorg, C Liu, Z Parekh, N Singhal, K Stasko, J AF Plaisant, Catherine Grinstein, Georges Scholtz, Jean Whiting, Mark O'Connell, Theresa Laskowski, Sharon Chien, Lynn Tat, Annie Wright, William Gorg, Carsten Liu, Zhicheng Parekh, Neel Singhal, Kanupriya Stasko, John TI Evaluating visual analytics at the 2007 VAST symposium contest SO IEEE COMPUTER GRAPHICS AND APPLICATIONS LA English DT Editorial Material C1 [Plaisant, Catherine] Univ Maryland, College Pk, MD 20742 USA. [Grinstein, Georges] Univ Massachusetts Lowell, Lowell, MA USA. [Scholtz, Jean; Whiting, Mark] Pacific NW Natl Lab, Richland, WA 99352 USA. [O'Connell, Theresa; Laskowski, Sharon] Natl Inst Stand & Technol, Gaithersburg, MD 20899 USA. [Gorg, Carsten; Liu, Zhicheng; Parekh, Neel; Singhal, Kanupriya; Stasko, John] Georgia Inst Technol, Atlanta, GA 30332 USA. RP Plaisant, C (reprint author), Univ Maryland, College Pk, MD 20742 USA. EM plaisant@cs.umd.edu NR 7 TC 19 Z9 19 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 0272-1716 J9 IEEE COMPUT GRAPH JI IEEE Comput. Graph. Appl. PD MAR-APR PY 2008 VL 28 IS 2 BP 12 EP 21 DI 10.1109/MCG.2008.27 PG 10 WC Computer Science, Software Engineering SC Computer Science GA 267XT UT WOS:000253543200003 PM 18350929 ER PT J AU Ripeanu, M Singh, MP Vazhkudai, SS AF Ripeanu, Matei Singh, Munindar P. Vazhkudai, Sudharshan S. TI Virtual organizations SO IEEE INTERNET COMPUTING LA English DT Editorial Material C1 [Ripeanu, Matei] Univ British Columbia, Vancouver, BC V5Z 1M9, Canada. [Singh, Munindar P.] N Carolina State Univ, Raleigh, NC 27695 USA. [Vazhkudai, Sudharshan S.] Oak Ridge Natl Lab, US Dept Energy Lab, Oak Ridge, TN 37831 USA. RP Ripeanu, M (reprint author), Univ British Columbia, Vancouver, BC V5Z 1M9, Canada. EM matei@ece.ubc.ca; singh@ncsu.edu; vazhkudaiss@ornl.gov OI Singh, Munindar/0000-0003-3599-3893 NR 0 TC 3 Z9 3 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 1089-7801 J9 IEEE INTERNET COMPUT JI IEEE Internet Comput. PD MAR-APR PY 2008 VL 12 IS 2 BP 10 EP 12 DI 10.1109/MIC.2008.48 PG 3 WC Computer Science, Software Engineering SC Computer Science GA 267XR UT WOS:000253543000003 ER PT J AU Qi, L Jin, H Foster, I Gawor, J AF Qi, Li Jin, Hai Foster, Ian Gawor, Jarek TI Provisioning for dynamic instantiation of community services SO IEEE INTERNET COMPUTING LA English DT Article AB On-demand provisioning can allow collaborative communities to rapidly deploy the services required to support collaboration, without the need to acquire and operate dedicated hardware. To meet community needs for on-demand access while also maximizing global availability and runtime efficiency, the authors propose service-, container-, node-, and VO- level provisioning approaches based on a highly available dynamic deployment infrastructure. Their experiments with an image-processing application demonstrate their approach's efficiency and effectiveness. C1 [Qi, Li; Jin, Hai] Huazhong Univ Sci & Technol, Sch Comp Sci & Technol, Wuhan, Peoples R China. [Foster, Ian] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Foster, Ian; Gawor, Jarek] Argonne Natl Lab, Argonne, IL 60439 USA. RP Qi, L (reprint author), Huazhong Univ Sci & Technol, Sch Comp Sci & Technol, Wuhan, Peoples R China. EM qi@gmail.com; hjin@hust.edu.cn; foster@mcs.anl.gov; gawor@mcs.anl.gov RI Foster, Ian/A-1357-2007 OI Foster, Ian/0000-0003-2129-5269 NR 15 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 1089-7801 J9 IEEE INTERNET COMPUT JI IEEE Internet Comput. PD MAR-APR PY 2008 VL 12 IS 2 BP 29 EP 36 DI 10.1109/MIC.2008.42 PG 8 WC Computer Science, Software Engineering SC Computer Science GA 267XR UT WOS:000253543000006 ER PT J AU Frehlich, R Kelley, N AF Frehlich, Rod Kelley, Neil TI Measurements of Wind and Turbulence Profiles With Scanning Doppler Lidar for Wind Energy Applications SO IEEE JOURNAL OF SELECTED TOPICS IN APPLIED EARTH OBSERVATIONS AND REMOTE SENSING LA English DT Article DE Doppler measurements; remote sensing; wind energy ID BACKSCATTER HETERODYNE LIDAR; SPECTRAL PEAK ESTIMATION; STABLE BOUNDARY-LAYER; COHERENT LASER-RADAR; WEAK-SIGNAL REGIME; LOW-LEVEL JET; VELOCITY ERROR; SOLID-STATE; STATISTICS; ACCUMULATION AB High-quality profiles of mean and turbulent statistics of the wind field upstream of a wind farm can be produced using a scanning Doppler lidar. Careful corrections for the spatial filtering of the wind field by the lidar pulse produce turbulence estimates equivalent to point sensors but with the added advantage of a larger sampling volume to increase the statistical accuracy of the estimates. For a well-designed lidar system, this permits accurate estimates of the key turbulent statistics over various sub-domains and with sufficiently short observation times to monitor rapid changes in conditions. These features may be ideally suited for optimal operation of wind farms and also for improved resource assessment of potential sites. C1 [Frehlich, Rod] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Kelley, Neil] Natl Renewable Energy Lab, NWTC, Golden, CO 80401 USA. RP Frehlich, R (reprint author), Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. EM rgf@cires.colorado.edu; neil_kelley@nrel.gov FU National Science Foundation (NSF) [ATM-0522004, ATM-0646401]; University of Colorado; Army Research Office (ARO) [W911NF-06-1-0256]; U.S. Department of Energy [DE-AC36-99GO10337] FX This work was supported in part by the National Science Foundation (NSF) under Grants ATM-0522004 and ATM-0646401, in part by a renewable energy seed Grant from the University of Colorado, and in part by the Army Research Office (ARO) under Grant W911NF-06-1-0256, Walter Bach program manager. The NREL work was supported by the U.S. Department of Energy under Contract DE-AC36-99GO10337. NR 40 TC 17 Z9 17 U1 2 U2 20 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 1939-1404 J9 IEEE J-STARS JI IEEE J. Sel. Top. Appl. Earth Observ. Remote Sens. PD MAR PY 2008 VL 1 IS 1 BP 42 EP 47 DI 10.1109/JSTARS.2008.2001758 PG 6 WC Engineering, Electrical & Electronic; Geography, Physical; Remote Sensing; Imaging Science & Photographic Technology SC Engineering; Physical Geography; Remote Sensing; Imaging Science & Photographic Technology GA 436MM UT WOS:000265418200007 ER PT J AU Lee, M Wanke, MC Lerttamrab, M Young, EW Grine, AD Reno, JL Siegel, PH Dengler, RJ AF Lee, Mark Wanke, Michael C. Lerttamrab, Maytee Young, Erik W. Grine, Albert D. Reno, John L. Siegel, Peter H. Dengler, Robert J. TI Heterodyne mixing of terahertz quantum cascade lasers using a planar Schottky diode SO IEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS LA English DT Article DE heterodyne mixing; quantum cascade laser (QCL); Schottky diode; terahertz (THz) AB Terahertz quantum cascade lasers (QCLs) have been used together with a monolithic planar Schottky diode receiver to study the heterodyne mixing between dual internal modes of a QCL and between a single mode of a QCL and a known molecular line from a molecular gas laser. Dual-mode mixing shows that I e intrinsic linewidth of a free-running QCL is <= 30 kHz. Mixing against a molecular laser line gives a high precision measurement of a QCL's absolute frequency and can show transient turn-on behavior in a pulsed QCL. C1 [Lee, Mark; Wanke, Michael C.; Lerttamrab, Maytee; Young, Erik W.; Grine, Albert D.; Reno, John L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Siegel, Peter H.; Dengler, Robert J.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. RP Lee, M (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mlee1@sandia.gov; mcwanke@sandia.gov; mlertta@sandia.gov; ewyoung@sandia.gov; adgrine@sandia.gov; jlreno@sandia.gov; phs@caltech.edu; no6b@no6b.nasa.gov FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 11 TC 17 Z9 17 U1 0 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 1077-260X J9 IEEE J SEL TOP QUANT JI IEEE J. Sel. Top. Quantum Electron. PD MAR-APR PY 2008 VL 14 IS 2 BP 370 EP 373 DI 10.1109/JSTQE.2007.910762 PG 4 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA 342CY UT WOS:000258763400014 ER PT J AU Cular, S Branch, DW Bhethanbotla, VR Meyer, GD Craighead, HG AF Cular, Stefan Branch, Darren W. Bhethanbotla, Venkat R. Meyer, Grant D. Craighead, Harold G. TI Removal of nonspecifically bound proteins on microarrays using surface acoustic waves SO IEEE SENSORS JOURNAL LA English DT Article DE acoustic streaming; LiNbO3; nonspecific binding; protein fouling; surface acoustic wave (SAW) ID BOVINE SERUM-ALBUMIN; BINDING AB Nonspecific binding of proteins is an ongoing problem that dramatically reduces the sensitivity and selectivity of biosensors. We demonstrate that ultrasonic waves generated by surface acoustic wave (SAW) devices remove nonspecifically bound proteins from the sensing and nonsensing regions of the microarrays. We demonstrate our approach for controllably and nondestructively cleaning the microarray interface. In this work, SAWs were generated using 128 degrees YX lithium niobate, chosen for its high coupling coefficient and efficient power transfer to mechanical motion. These waves propagating along the surface were coupled into specifically bound and nonspecifically bound proteins on a patterned surface of 40 mu m feature size. Fluorescence intensity was used to quantify cleaning efficacy of the microarrays. Our results have shown that excess protein layers and aggregates are removed leaving highly uniform films as evidenced by fluorescence intensity profiles. Selected antigen-receptor interactions remained bound during the acoustic cleaning process when subjected to 11.25 mW of power and retained their efficacy for subsequent antigen capture. Results demonstrate near-complete fluorescence signal recovery for both the sensing and nonsensing regions of the microarrays. Of significance is that our approach can be integrated into existing array technologies where sensing and nonsensing regions are extensively fouled. We believe that this technology will be pivotal in the development and advancement of microsensors and their biological applications. C1 [Cular, Stefan; Bhethanbotla, Venkat R.] Univ S Florida, Dept Chem & Biomed Engn, Tampa, FL 33620 USA. [Branch, Darren W.] Sandia Natl Labs, Biosensors & Nanomat Dept, Albuquerque, NM 87185 USA. [Meyer, Grant D.; Craighead, Harold G.] Cornell Univ, Sch Appl Phys, Ithaca, NY 14853 USA. RP Cular, S (reprint author), Univ S Florida, Dept Chem & Biomed Engn, Tampa, FL 33620 USA. EM cular@eng.usf.edu; dwbranc@sandia.gov; venkat@eng.usf.edu; gdm24@cornell.edu; hgc1@cornell.edu NR 30 TC 28 Z9 28 U1 4 U2 21 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 1530-437X J9 IEEE SENS J JI IEEE Sens. J. PD MAR-APR PY 2008 VL 8 IS 3-4 BP 314 EP 320 DI 10.1109/JSEN.2008.917478 PG 7 WC Engineering, Electrical & Electronic; Instruments & Instrumentation; Physics, Applied SC Engineering; Instruments & Instrumentation; Physics GA 342CU UT WOS:000258763000019 ER PT J AU Roy, F Dutoit, B Grilli, F Sirois, F AF Roy, Francois Dutoit, Bertrand Grilli, Francesco Sirois, Frederic TI Magneto-thermal modeling of second-generation HTS for resistive fault current limiter design purposes SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE COMSOL Multiphysics; fault current limiters (FCLs); finite-element methods (FEMs); high-temperature superconductors (HTS); thin-film devices ID COATED CONDUCTOR; CURRENT-DENSITY; TEMPERATURE; SUPERCONDUCTORS; SIMULATIONS; STATE AB Coated conductors (CCs) are very promising for the design of novel and efficient resistive fault current limiters (FCLs). However, a detailed knowledge about their thermal and electromagnetic behaviors in the presence of over-critical currents is crucial for their improvement. In this context, we performed finite-element magneto-thermal modeling of CCs under over-critical current on several geometries. Accordingly, we have investigated the influence of the physical properties of stabilizer and substrate on the thermal stability to improve the high-temperature superconductor (HTS)-FCL design. All simulations were performed using COMSOL Multiphysics, a commercial finite-element package, which has a built-in coupling between the thermal and electrical equations, allowing us to compute both quantities simultaneously during the solving process. Our results allow us to determine the current threshold to achieve thermal stability of HTS FCLs made with CCs. C1 [Roy, Francois; Dutoit, Bertrand] Ecole Polytech Fed Lausanne, EPFL IC LANOS, CH-1015 Lausanne, Switzerland. [Grilli, Francesco; Sirois, Frederic] Ecole Polytech, Montreal, PQ H3C 3A7, Canada. [Grilli, Francesco] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Roy, F (reprint author), Ecole Polytech Fed Lausanne, EPFL IC LANOS, CH-1015 Lausanne, Switzerland. EM francois.roy@epfl.ch; bertrand.dutoit@epfl.ch; f.grilli@polymtl.ca; f.sirois@polymtl.ca RI Sirois, Frederic/F-3736-2010 OI Sirois, Frederic/0000-0003-0372-9449 NR 14 TC 34 Z9 35 U1 2 U2 21 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD MAR PY 2008 VL 18 IS 1 BP 29 EP 35 DI 10.1109/TASC.2008.917576 PG 7 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 272PZ UT WOS:000253873200005 ER PT J AU Yuan, HC Kelly, MM Savage, DE Lagally, MG Celler, GK Ma, Z AF Yuan, Hao-Chih Kelly, Michelle M. (Roberts) Savage, Donald E. Lagally, Max G. Celler, George K. Ma, Zhenqiang TI Thermally processed high-mobility MOS thin-film transistors on transferable single-crystal elastically strain-sharing Si/SiGe/Si nanomembranes SO IEEE TRANSACTIONS ON ELECTRON DEVICES LA English DT Article DE heterogeneous integration; MOS; mobility; nanomembrane; silicon; silicon germanium (SiGe); silicon-on-insulator (SOI); strain sharing; thin-film transistor (TFT) ID SILICON; NANOTECHNOLOGY; FABRICATION AB Demonstration of high-performance MOS thin-film transistors (TFTs) on elastically strain-sharing single-crystal Si/SiGe/Si nanomembranes (SiNMs) that are transferred to foreign substrates is reported. The transferable SiNMs are realized by first growing pseudomorphic SiGe and Si layers on silicon-on-insulator (SOI) substrates, and then, selectively removing the buried oxide (BOX) laver from the SOL Before the release, only the SiGe layer is compressively strained. Upon release, part of the compressive strain in the SiGe layer is transferred to the thin Si layers, and the Si layers, thus, become tensile strained. Both the initial compressive strain state in the SiGe layer and the final strain sharing state between the SiGe and the Si layers are verified with X-ray diffraction measurements. The TFTs are fabricated employing the conventional high-temperature MOS process on the strain-shared SiNMs that are transferred to an oxidized Si substrate. The transferred strained-sharing SiNMs show outstanding thermal stability and can withstand the high-temperature TFT process on the new host substrate. The strained-channel TFTs fabricated on the new host substrate show high current drive capability and an average electron effective mobility of 270 cm(2) /V center dot s. The results suggest that transferable and thermally stable single-crystal elastically strain-sharing SiNMs can serve as excellent active material for high-speed device application with a simple and scalable transfer method. The demonstration of MOS TFTs on the transferable nanomembranes may create the opportunity for future high-speed Si CMOS heterogeneous integration on any substrate. C1 [Yuan, Hao-Chih; Ma, Zhenqiang] Univ Wisconsin, Dept Elect & Comp Engn, Madison, WI 53706 USA. [Kelly, Michelle M. (Roberts); Savage, Donald E.; Lagally, Max G.] Univ Wisconsin, Dept Mat Sci & Engn, Madison, WI 53706 USA. [Celler, George K.] Soitec USA, Peabody, MA 01960 USA. RP Yuan, HC (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM mazq@engr.wisc.edu RI Yuan, Hao-Chih/B-8851-2009; Celler, George/G-3346-2014 OI Celler, George/0000-0001-7871-0684 NR 19 TC 13 Z9 14 U1 1 U2 13 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9383 J9 IEEE T ELECTRON DEV JI IEEE Trans. Electron Devices PD MAR PY 2008 VL 55 IS 3 BP 810 EP 815 DI 10.1109/TED.2007.914833 PG 6 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 267JR UT WOS:000253505800015 ER PT J AU Sulakhe, D Rodriguez, A Wilde, M Foster, I Maltsev, N AF Sulakhe, Dinanath Rodriguez, Alex Wilde, Michael Foster, Ian Maltsev, Natalia TI Interoperability of GADU in using heterogeneous Grid resources for bioinformatics applications SO IEEE TRANSACTIONS ON INFORMATION TECHNOLOGY IN BIOMEDICINE LA English DT Article DE bioinformatics; high-throughput computations; interoperability of grids; multiple grids ID PROTEIN; DATABASE; GENOMICS; FASTA AB Bioinformatics tools used for efficient and computationally intensive analysis of genetic sequences require large-scale computational resources to accommodate the growing data. Grid computational resources such as the Open Science Grid and Tera-Grid have proved useful for scientific discovery. The genome analysis and database update system (GADU) is a high-throughput computational system developed to automate the steps involved in accessing the Grid resources for running bioinformatics applications. This paper describes the requirements for building an automated scalable system such as GADU that can run jobs on different Grids. The paper describes the resource-independent configuration of GADU using the Pegasus-based virtual data system that makes high-throughput computational tools interoperable on heterogeneous Grid resources. The paper also highlights the features implemented to make GADU a gateway to computationally intensive bioinformatics applications on the Grid. The paper will not go into the details of problems involved or the lessons learned in using individual Grid resources as it has already been published in our paper on genome analysis research environment (GNARE) and will focus primarily on the architecture that makes GADU resource independent and interoperable across heterogeneous Grid resources. C1 [Sulakhe, Dinanath; Wilde, Michael; Foster, Ian; Maltsev, Natalia] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Rodriguez, Alex; Wilde, Michael; Foster, Ian; Maltsev, Natalia] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Sulakhe, D (reprint author), Univ Chicago, Computat Inst, Chicago, IL 60637 USA. EM sulakhe@mcs.anl.gov; arodri7@mcs.ani.gov; wilde@mcs.anl.gov; foster@mcs.anl.gov; maltsev@mcs.anl.gov NR 28 TC 3 Z9 3 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1089-7771 EI 1558-0032 J9 IEEE T INF TECHNOL B JI IEEE T. Inf. Technol. Biomed. PD MAR PY 2008 VL 12 IS 2 BP 241 EP 246 DI 10.1109/TITB.2007.897783 PG 6 WC Computer Science, Information Systems; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Medical Informatics SC Computer Science; Mathematical & Computational Biology; Medical Informatics GA 272DW UT WOS:000253840600012 PM 18348953 ER PT J AU Gopalsami, N Bakhtiari, S Elmer, TW Raptis, AC AF Gopalsami, Nachappa Bakhtiari, Sasan Thomas W. Elmer, II Raptis, Apostolos C. TI Application of millimeter-wave radiometry for remote chemical detection SO IEEE TRANSACTIONS ON MICROWAVE THEORY AND TECHNIQUES LA English DT Article DE chemical detection; millimeter waves; radiometer; remote sensing AB Passive millimeter-wave systems have been used in the past to remotely map solid targets and to measure low-pressure spectral lines of stratospheric and interstellar gases; however, its application to pressure-broadened spectral line detection of industrial emissions is new. We developed a radiative transfer model to determine feasibility and system requirements for passive millimeter-wave spectral detection of terrestrial gases. We designed and built a Dicke-switched multispectral radiometer in the 146-154-GHz band to detect nitric oxide (NO), a prototypical gas of nuclear fuel processing operations. We first tested the spectral detection capability of the radiometer in the laboratory using a gas cell and then field tested it at the Nevada test site at a distance of 600 in from a stack that released hot plumes of NO and air. With features such as Dicke-switched integration, frequent online calibration, and spectral baseline subtraction, we demonstrated the feasibility of remote detection of terrestrial gases by a ground-based radiometer. C1 [Gopalsami, Nachappa; Bakhtiari, Sasan; Thomas W. Elmer, II; Raptis, Apostolos C.] Argonne Natl Lab, Nucl Engn Lab, Argonne, IL 60439 USA. RP Gopalsami, N (reprint author), Argonne Natl Lab, Nucl Engn Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM gopalsami@anl.gov; bakhtiari@anl.gov; elmer@anl.gov; raptis@anl.gov OI Elmer, Thomas/0000-0003-0363-5928 NR 15 TC 14 Z9 14 U1 0 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9480 J9 IEEE T MICROW THEORY JI IEEE Trans. Microw. Theory Tech. PD MAR PY 2008 VL 56 IS 3 BP 700 EP 709 DI 10.1109/TMTT.2008.916985 PG 10 WC Engineering, Electrical & Electronic SC Engineering GA 272QC UT WOS:000253873500018 ER PT J AU Tang, LX Su, GJ Huang, XH AF Tang, Lixin Su, Gui-Jia Huang, Xianghui TI Experimental high-performance control of two permanent magnet synchronous machines in an integrated drive for automotive applications SO IEEE TRANSACTIONS ON POWER ELECTRONICS LA English DT Article DE closed-loop control systems; component-count-reduced inverter; permanent magnet motor drive ID MOTOR-DRIVES; INVERTER; TOPOLOGY; STRATEGY; SYSTEM; SPACE AB Closed-loop control of an integrated dual-inverter to drive two permanent magnet motors independently is presented and evaluated experimentally. By utilizing the neutral point of the three-phase main motor, only two inverter legs are needed for the two-phase auxiliary motor. A modified field oriented control scheme for this integrated inverter was introduced and employed in real-time control. Experimental results show that the inverter is able to control two drives independently. An integrated, component-count-reduced drive is achieved. C1 [Tang, Lixin] Oak Ridge Associated Univ, Knoxville, TN 37932 USA. [Su, Gui-Jia] Oak Ridge Natl Lab, Knoxville, TN 37932 USA. [Huang, Xianghui] GE Global Res, Niskayuna, NY 12309 USA. RP Tang, LX (reprint author), Oak Ridge Associated Univ, Knoxville, TN 37932 USA. EM tangl@ornl.gov; sugj@ornl.gov; huang@research.ge.com RI Tang, Lixin/B-9242-2009 OI Tang, Lixin/0000-0001-8361-8196 NR 18 TC 9 Z9 9 U1 1 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0885-8993 J9 IEEE T POWER ELECTR JI IEEE Trans. Power Electron. PD MAR PY 2008 VL 23 IS 2 BP 977 EP 984 DI 10.1109/TPEL.2007.915040 PG 8 WC Engineering, Electrical & Electronic SC Engineering GA 275KD UT WOS:000254069400048 ER PT J AU Chen, J Yoon, I Bethel, EW AF Chen, Jerry Yoon, Ilmi Bethel, E. Wes TI Interactive, Internet delivery of visualization via structured prerendered multiresolution imagery SO IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS LA English DT Article DE remote visualization; remote rendering; Internet media delivery; multiresolution digital media AB We present a novel approach for latency-tolerant delivery of visualization and rendering results, where client-side frame rate display performance is independent of source data set size, image size, visualization technique, or rendering complexity. Our approach delivers prerendered multiresolution images to a remote user as they navigate through different viewpoints, visualization parameters, or rendering parameters. We employ demand-driven tiled multiresolution image streaming and prefetching to efficiently utilize available bandwidth while providing the maximum resolution a user can perceive from a given viewpoint. Since image data is the only input to our system, our approach is generally applicable to all visualization and graphics rendering applications capable of generating image files in an ordered fashion. In our implementation, a normal Web server provides on-demand images to a remote custom client application, which uses client-pull to obtain and cache only those images required to fulfill the interaction needs. The main contributions of this work are 1) an architecture for latency-tolerant remote delivery of precomputed imagery suitable for use with any visualization or rendering application capable of producing images in an ordered fashion, and 2) a performance study showing the impact of diverse network environments and different tunable system parameters on end-to-end system performance in terms of deliverable frames per second. C1 [Chen, Jerry] Yahoo Inc, Small Business Dept, Sunnyvale, CA 94088 USA. [Yoon, Ilmi] San Francisco State Univ, Dept Comp Sci, San Francisco, CA 94132 USA. [Bethel, E. Wes] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Chen, J (reprint author), Yahoo Inc, Small Business Dept, Sunnyvale, CA 94088 USA. EM oojerryoo@hotmail.com; ilmiyoon@gmail.com; ewbethel@lbl.gov NR 34 TC 6 Z9 7 U1 0 U2 7 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1077-2626 J9 IEEE T VIS COMPUT GR JI IEEE Trans. Vis. Comput. Graph. PD MAR-APR PY 2008 VL 14 IS 2 BP 302 EP 312 DI 10.1109/TVCG-0223-1206 PG 11 WC Computer Science, Software Engineering SC Computer Science GA 249UB UT WOS:000252254200006 PM 18192711 ER PT J AU Alvarez, R AF Alvarez, Rosio TI Examining technology, structure and identity during an Enterprise System implementation SO INFORMATION SYSTEMS JOURNAL LA English DT Article DE enterprise systems; identity; user resistance; deskilling ID INFORMATION-TECHNOLOGY; ELECTRONIC COMMUNICATION; ORGANIZATIONS; ERP; SUCCESS; GENRES; TALK; TIME; LIFE AB This paper presents a longitudinal study of an Enterprise System (ES) implementation by critically examining the discursive context in which an ES implementation unfolds. The findings show that users strongly supported the ES in the earlier stage of implementation when the technology was an imaginary phenomenon. However, in later stages, when the technology is in use, user support was not consistent. In this phase, the ES produces loss of control and an inability to function as an arbiter of fairness (in allocating resources associated with the system), thereby directly challenging existing professional identities and roles. These outcomes, in turn, generate acts of resistance on the part of workers. Users reach inside the technology and reshape it by devising creative workarounds that produce a sense of reskilling to counter the deskilling produced by the loss of control and power. The analysis also shows that an ES is a complex social phenomenon that is intricately linked to and complicit in shaping organizational structure and identity. In particular, this study shows how technology, structure and identity are in a mutually constitutive relationship. C1 Lawrence Berkeley Natl Lab, Berkeley, CA 94708 USA. RP Alvarez, R (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94708 USA. EM ralvarez@lbl.gov NR 69 TC 37 Z9 38 U1 1 U2 13 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1350-1917 J9 INFORM SYST J JI Inf. Syst. J. PD MAR PY 2008 VL 18 IS 2 BP 203 EP 224 DI 10.1111/j.1365-2575.2007.00286.x PG 22 WC Information Science & Library Science SC Information Science & Library Science GA 270GX UT WOS:000253710300005 ER PT J AU Yamamoto, Y Takeyama, A Lu, ZP Liu, CT Evans, ND Maziasz, PJ Brady, MP AF Yamamoto, Y. Takeyama, A. Lu, Z. P. Liu, C. T. Evans, N. D. Maziasz, P. J. Brady, M. P. TI Alloying effects on creep and oxidation resistance of austenitic stainless steel alloys employing intermetallic precipitates SO INTERMETALLICS LA English DT Article DE Laves phases; multiphase intermetallics; nickel aluminides, based on Ni3Al; creep; oxidation ID PHASE AB Microstructure evolution during creep testing at 750 degrees C and 100 MPa of Fe-20Cr-3ONi-2Nb (at.%) alloys with and without 0.4 Si, 0.2 Zr or 5.0 Al additions has been studied, in order to explore the viability of Fe-rich austenitic stainless alloys strengthened by intermetallic phases. Fine Fe2Nb Laves phase dispersions with the size of less than 1 mu m within the gamma-Fe matrix were obtained in the base and Si-modified alloys after aging at 800 degrees C. The addition of Si helped to refine and stabilize the size of particles, resulting in finer and denser Fe2Nb dispersion than that in the base alloy. The alloys with only solution heat-treatment exhibited superior creep resistance to the aged ones, which is due to dynamic precipitation of the Fe2Nb Laves phase during creep testing with a size of 300-400 nm, resulting in more effective pinning of dislocations. The base alloy also showed the meta-stable gamma ''-Ni3Nb phase with a size of 50 nm during the transient state of the creep testing. The Zr-modified alloy achieved significant improvement of creep properties. This is hypothesized to be due to the stabilization of delta-Ni3M phase relative to Fe2Nb, resulting in the formation of multiple fine dispersions of stable intermetallic compounds of 8 and Fe2Nb within the gamma-Fe matrix. A small amount of a (Ni, Zr and Nb)-enriched unidentified phase was also observed. The addition of Al significantly improved the oxidation resistance because of the formation of protective alumina scales on the surface. The alloy also showed superior creep resistance to that of the base alloy due to the formation of a dense dispersion of spherical Ni3Al, typically 30 nm in diameter. Collectively, these findings provide the alloy design basis for creep and oxidation-resistant austenitic stainless steel alloys via intermetallic precipitates. (C) 2007 Elsevier Ltd. All rights reserved. C1 [Yamamoto, Y.; Lu, Z. P.; Evans, N. D.; Maziasz, P. J.; Brady, M. P.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Takeyama, A.] Tokyo Inst Technol, Dept Met & Ceram Sci, Meguro Ku, Tokyo 1528552, Japan. [Liu, C. T.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Brady, MP (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, 1 Bethel Valley Rd,Bldg 4500S,Room C-51, Oak Ridge, TN 37831 USA. EM bradymp@oml.gov RI Brady, Michael/A-8122-2008; Evans, Neal/F-5955-2011; Lu, Zhao-Ping/A-2718-2009; OI Brady, Michael/0000-0003-1338-4747; Maziasz, Philip/0000-0001-8207-334X NR 21 TC 50 Z9 54 U1 5 U2 35 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0966-9795 J9 INTERMETALLICS JI Intermetallics PD MAR PY 2008 VL 16 IS 3 BP 453 EP 462 DI 10.1016/j.intermet.2007.12.005 PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 288KC UT WOS:000254984300018 ER PT J AU Xie, S George, EP AF Xie, S. George, E. P. TI Size-dependent plasticity and fracture of a metallic glass in compression SO INTERMETALLICS LA English DT Article DE glasses, metallic; mechanical properties at ambient temperature; plastic deformation mechanisms ID STRAIN GRADIENT PLASTICITY; MECHANICAL-PROPERTIES; INHOMOGENEOUS FLOW; AMORPHOUS METALS; SHEAR BANDS; ALLOYS; DEFORMATION; SCALE AB A specimen size effect related to elastic spring-back and strain softening is reported on the deformation and fracture behavior of bulk metallic glass (BMG). Unlike in large specimens where unstable shear band propagation usually leads to catastrophic fracture, in small specimens yielding is followed by stable shear band propagation and extensive plastic deformation. Additionally, the fracture surfaces of the small specimens are smooth without the characteristic vein patterns seen in large specimens. The present results demonstrate that it is important to take specimen size into account when interpreting plasticity and fracture of BMGs, especially when considering the effects of composition on ductility. (C) 2007 Elsevier Ltd. All rights reserved. C1 [George, E. P.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Xie, S.; George, E. P.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP George, EP (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM georgeep@ornl.gov RI George, Easo/L-5434-2014 NR 31 TC 53 Z9 58 U1 2 U2 24 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0966-9795 J9 INTERMETALLICS JI Intermetallics PD MAR PY 2008 VL 16 IS 3 BP 485 EP 489 DI 10.1016/j.intermet.2007.11.013 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 288KC UT WOS:000254984300022 ER PT J AU Koonce, AM Apostolakis, GE Cook, BK AF Koonce, A. M. Apostolakis, G. E. Cook, B. K. TI Bulk power risk analysis: Ranking infrastructure elements according to their risk significance SO INTERNATIONAL JOURNAL OF ELECTRICAL POWER & ENERGY SYSTEMS LA English DT Article DE bulk power grid; risk analysis; random failures; terrorism ID IDENTIFICATION; METHODOLOGY; DECISIONS; TERRORISM; MODEL AB Disruptions in the bulk power grid can result in very diverse consequences that include economic, social, physical, and psychological impacts. In addition, power outages do not affect all end-users of the system in the same manner. For these reasons, a risk analysis of bulk power systems requires more than determining the likelihood and magnitude of power outages; it must also include the diverse impacts power outages have on the users of the system. We propose a methodology for performing a risk analysis on the bulk power system. A power flow simulation model is used to determine the likelihood and extent of power outages when components within the system fail to perform their designed function. The consequences associated with these failures are determined by looking at the type and number of customers affected. Stakeholder input is used to evaluate the relative importance of these consequences. The methodology culminates with a ranking of each system component by its risk significance to the stakeholders. The analysis is performed for failures of infrastructure elements due to both random causes and malevolent acts. Published by Elsevier Ltd. C1 [Koonce, A. M.; Apostolakis, G. E.] MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA. [Cook, B. K.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Apostolakis, GE (reprint author), MIT, Dept Nucl Sci & Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM apostola@mit.edu NR 28 TC 21 Z9 21 U1 1 U2 6 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0142-0615 J9 INT J ELEC POWER JI Int. J. Electr. Power Energy Syst. PD MAR PY 2008 VL 30 IS 3 BP 169 EP 183 DI 10.1016/j.ijepes.2007.06.013 PG 15 WC Engineering, Electrical & Electronic SC Engineering GA 288KH UT WOS:000254984800002 ER PT J AU Okhuysen, BS Riahi, DN AF Okhuysen, B. S. Riahi, D. N. TI Flow instabilities of liquid and mushy regions during alloy solidification and under high gravity environment induced by rotation SO INTERNATIONAL JOURNAL OF ENGINEERING SCIENCE LA English DT Article DE primary; buoyant flow; convection; convective flow; Secondary; rotating flow; buoyant convection; flow modeling ID BINARY-ALLOYS; DIRECTIONAL SOLIDIFICATION; INCLINED ROTATION; CONVECTION; CHANNEL; LAYERS AB Linear flow instabilities of the liquid and mushy regions during directional solidification of a binary alloy are studied under a high gravity environment where the rotation axis is inclined with respect to the high gravity vector. Stability analysis and numerical computation are carried Out to determine the results for the stationary disturbances at several values of the rotation rates and for given values of the other parameters. The results provide information about the effects of Coriolis force on various flow features in the liquid and mushy layers. The preferred structure of the mush-liquid interface is found to be that of longitudinal rolls. The main mode of convection is found to be able to generate double-cell structure in the vertical direction and is strengthened in the mushy layer by the Coriolis force. The Coriolis force appears to be generally stabilizing in the sense that the motion in the liquid zone is significantly weakened, the tendency for the chimney formation in the mushy zone is reduced and the critical Values of the liquid and mush Rayleigh numbers and the wave number increase with increasing the rotation rate. (c) 2007 Elsevier Ltd. All rights reserved. C1 [Okhuysen, B. S.] Univ Texas Pan Amer, Dept Math, Edinburg, TX 78539 USA. [Riahi, D. N.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Riahi, DN (reprint author), Univ Texas Pan Amer, Dept Math, 1201 W Univ Dr, Edinburg, TX 78539 USA. EM driahi@utpq.edu NR 21 TC 3 Z9 3 U1 0 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0020-7225 J9 INT J ENG SCI JI Int. J. Eng. Sci. PD MAR PY 2008 VL 46 IS 3 BP 189 EP 201 DI 10.1016/j.ijengsci.2007.10.006 PG 13 WC Engineering, Multidisciplinary SC Engineering GA 276LD UT WOS:000254142100001 ER PT J AU Wright, CT O'Brien, JE Spall, RE AF Wright, C. T. O'Brien, J. E. Spall, R. E. TI A new critical heat flux correlation for vertical water flow through multiple thin rectangular channels SO INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER LA English DT Article DE critical heat flux; boiling heat transfer; nuclear reactor safety; rectangular flow channels; multiple flow channels ID FORCED-CONVECTION SYSTEMS; 2-PHASE FLOW; ATMOSPHERIC-PRESSURE; GENERAL CORRELATION; RESEARCH REACTORS; BOILING BURNOUT; CHF; TUBES; INSTABILITIES; DOWNFLOW AB A critical heat flux (CHF) study of the vertical up-flow of water through multiple thin rectangular channels was conducted. Pressures varied from 89.8 to 115 kPa, inlet temperatures from 291 to 306 K, and mass fluxes from 9.5 to 39 kg m(-2) s(-1). Electrical resistance heaters embedded in aluminum provided a uniform heat flux. A more universal and robust CHF correlation based on the geometry of the Advanced Test Reactor at Idaho National Laboratory was developed. This new CHF correlation predicts 126 data points from this and three previous studies within an error of +/- 8.5% with a 95% confidence. (C) 2007 Elsevier Ltd. All rights reserved. C1 [Wright, C. T.; O'Brien, J. E.] EG&G Idaho Inc, Idaho Natl Engn Lab, Idaho Falls, ID 83415 USA. [Spall, R. E.] Utah State Univ, Dept Mech & Aerosp Engn, Logan, UT 84322 USA. RP Wright, CT (reprint author), EG&G Idaho Inc, Idaho Natl Engn Lab, POB 1625, Idaho Falls, ID 83415 USA. EM christopher.wright@inl.gov NR 45 TC 8 Z9 9 U1 0 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0017-9310 J9 INT J HEAT MASS TRAN JI Int. J. Heat Mass Transf. PD MAR PY 2008 VL 51 IS 5-6 BP 1071 EP 1084 DI 10.1016/j.ijheatmasstransfer.2007.05.013 PG 14 WC Thermodynamics; Engineering, Mechanical; Mechanics SC Thermodynamics; Engineering; Mechanics GA 277XY UT WOS:000254249200009 ER PT J AU McEligot, DM Nolan, KP Walsh, EJ Laurien, E AF McEligot, Donald M. Nolan, Kevin P. Walsh, Edmond J. Laurien, Eckart TI Effects of pressure gradients on entropy generation in the viscous layers of turbulent wall flows SO INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER LA English DT Article DE entropy; viscous layer; turbulent; channel; boundary layer; CFD ID LOW-REYNOLDS-NUMBER; BOUNDARY-LAYERS; CHANNEL FLOW; HEAT-TRANSFER; SHEAR FLOWS; DUCT FLOW; DEPENDENCE; SIMULATION; RESPECT AB By employing results of direct numerical simulations, it is possible to examine entropy generation due to friction in the viscous layers of turbulent flows with significant streamwise pressure gradients, both for boundary layers and channels. About two-thirds or more of the entropy generation per unit surface area S '' occurs there. Increasing the pressure gradient increases direct dissipation and decreases turbulent dissipation (in wall coordinates). The integral of the entropy generation rate per unit surface area to the edge of the viscous layer is relatively insensitive to pressure gradients for channels but decreases moderately for boundary layers. (C) 2007 Published by Elsevier Ltd. C1 [McEligot, Donald M.; Laurien, Eckart] Univ Stuttgart, IKE, D-70569 Stuttgart, Germany. [McEligot, Donald M.] Univ Arizona, Dept Aerosp & Mech Engn, Tucson, AZ 85721 USA. [McEligot, Donald M.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Nolan, Kevin P.; Walsh, Edmond J.] Univ Limerick, Mech & Aeronaut Engn Dept, Stokes Res Inst, Limerick, Ireland. RP McEligot, DM (reprint author), Univ Stuttgart, IKE, Pfaffenwaldring 31, D-70569 Stuttgart, Germany. EM Donald.McEligot@ike.uni-stuitgart.de RI Analysis, Some/A-5852-2012 NR 43 TC 15 Z9 15 U1 0 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0017-9310 J9 INT J HEAT MASS TRAN JI Int. J. Heat Mass Transf. PD MAR PY 2008 VL 51 IS 5-6 BP 1104 EP 1114 DI 10.1016/j.ijheatmasstransfer.2007.05.008 PG 11 WC Thermodynamics; Engineering, Mechanical; Mechanics SC Thermodynamics; Engineering; Mechanics GA 277XY UT WOS:000254249200012 ER PT J AU Evans, W Prasher, R Fish, J Meakin, P Phelan, P Keblinski, P AF Evans, William Prasher, Ravi Fish, Jacob Meakin, Paul Phelan, Patrick Keblinski, Pawel TI Effect of aggregation and interfacial thermal resistance on thermal conductivity of nanocomposites and colloidal nanofluids SO INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER LA English DT Article DE nanoparticles; aggregation; thermal conductivity; interfacial thermal resistance; homogenization model; Monte Carlo simulation ID DIFFUSION-LIMITED AGGREGATION; CARBON-NANOTUBE COMPOSITES; HEAT-FLOW; SUSPENSIONS; TRANSPORT; NANOPARTICLES; VISCOSITY; PARTICLE; STEADY; SHEAR AB We analyzed the role of aggregation and interfacial thermal resistance on the effective thermal conductivity of nanofluids and nanocomposites. We found that the thermal conductivity of nanofluids and nanocomposites can be significantly enhanced by the aggregation of nanoparticles into clusters. The value of the thermal conductivity enhancement is determined by the cluster morphology, filler conductivity and interfacial thermal resistance. We also compared thermal conductivity enhancement due to aggregation with that associated with high-aspect ratio fillers, including fibers and plates. (C) 2007 Elsevier Ltd. All rights reserved. C1 [Keblinski, Pawel] Rensselaer Polytech Inst, Dept Mat Sci & Engn, Troy, NY 12180 USA. [Evans, William] Lockheed Martin Corp, Niskayuna, NY 12301 USA. [Evans, William; Fish, Jacob] Rensselaer Polytech Inst, Dept Mech Engn, Troy, NY 12180 USA. [Prasher, Ravi] Intel Corp, Chandler, AZ 85226 USA. [Meakin, Paul] Idaho Natl Lab, Ctr Adv Modelling & Simulat, Idaho Falls, ID 83415 USA. [Phelan, Patrick] Arizona State Univ, Dept Mech & Aerosp Engn, Tempe, AZ 85287 USA. RP Keblinski, P (reprint author), Rensselaer Polytech Inst, Dept Mat Sci & Engn, MRC 1st Floor,110 8th St, Troy, NY 12180 USA. EM keblip@rpi.edu NR 34 TC 178 Z9 180 U1 5 U2 48 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0017-9310 J9 INT J HEAT MASS TRAN JI Int. J. Heat Mass Transf. PD MAR PY 2008 VL 51 IS 5-6 BP 1431 EP 1438 DI 10.1016/j.ijheatmasstransfer.2007.10.017 PG 8 WC Thermodynamics; Engineering, Mechanical; Mechanics SC Thermodynamics; Engineering; Mechanics GA 277XY UT WOS:000254249200040 ER PT J AU Biswas, R Oliker, L AF Biswas, Rupak Oliker, Leonid TI Special issue on performance characterization of the world's most powerful supercomputers - Part 1 - Preface SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Editorial Material C1 [Biswas, Rupak] NASA, Ames Res Ctr, NAS Div, Moffett Field, CA 94035 USA. [Oliker, Leonid] Lawrence Berkeley Natl Lab, NERSC, CRD, Berkeley, CA 94720 USA. RP Biswas, R (reprint author), NASA, Ames Res Ctr, NAS Div, Moffett Field, CA 94035 USA. NR 0 TC 0 Z9 0 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 SPR PY 2008 VL 22 IS 1 BP 3 EP 4 DI 10.1177/10943420070085013 PG 2 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 270LZ UT WOS:000253723600001 ER PT J AU Oliker, L Canning, A Carter, J Shalf, J Ethier, S AF Oliker, Leonid Canning, Andrew Carter, Jonathan Shalf, John Ethier, Stephane TI Scientific application performance on leading scalar and vector supercomputering platforms SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE performance evaluation; parallel vector architecture; lattice Boltzmann; particle-in-cell; density functional theory; method of lines ID ARCHITECTURE; SIMULATIONS AB The last decade has witnessed a rapid proliferation of superscalar cache-based microprocessors to build high-end computing (HEC) platforms, primarily because of their generality, scalability, and cost effectiveness. However, the growing gap between sustained and peak performance for full-scale scientific applications on conventional supercomputers has become a major concern in high performance computing, requiring significantly larger systems and application scalability than implied by peak performance in order to achieve desired performance. The latest generation of custom-built parallel vector systems have the potential to address this issue for numerical algorithms with sufficient regularity in their computational structure. In this work we explore applications drawn from four areas: magnetic fusion (GTC), plasma physics (LB-MHD-3D), astrophysics (Cactus), and material science (PARATEC). We compare performance of the vector-based Cray X1, X1 E, Earth Simulator, NEC SX-8, with performance of three leading commodity-based super-scalar platforms utilizing the IBM Power3, Intel Itanium2, and AMD Opteron processors. Our work makes several significant contributions: a new data-decomposition scheme for GTC that (for the first time) enables a breakthrough of the teraflop barrier; the introduction of a new three-dimensional lattice Boltzmann magneto-hydrodynamic implementation used to study the onset evolution of plasma turbulence that achieves over 26 Tflop/s on 4800 ES processors; the highest per processor performance (by far) achieved by the full-production version of the Cactus ADM-BSSN; and the largest PARATEC cell size atomistic simulation to date. Overall, results show that the vector architectures attain unprecedented aggregate performance across our application suite, demonstrating the tremendous potential of modern parallel vector systems. C1 [Oliker, Leonid; Canning, Andrew; Carter, Jonathan; Shalf, John] Lawrence Berkeley Natl Lab, NERSC, CRD, Berkeley, CA 94720 USA. [Ethier, Stephane] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08453 USA. RP Oliker, L (reprint author), Lawrence Berkeley Natl Lab, NERSC, CRD, Berkeley, CA 94720 USA. EM LOLIKER@LBL.GOV NR 32 TC 5 Z9 5 U1 0 U2 4 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 SPR PY 2008 VL 22 IS 1 BP 5 EP 20 DI 10.1177/1094342006085020 PG 16 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 270LZ UT WOS:000253723600002 ER PT J AU Shan, H Strohmaier, E Qiang, J AF Shan, Hongzhang Strohmaier, Erich Qiang, Ji TI Performance analysis of leading hpc architectures with BeamBeam3D SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE performance tuning; performance optimization; accelerator modeling; HPC application AB High energy colliders are essential to study the inner structure of nuclear and elementary particles. A parallel particle simulation code, BeamBeam3D, has been developed and actively used to model the beam dynamics and to optimize the performance of these colliders. In this paper, we analyze the performance characteristics of BeamBeam3D on several considerably different leading high performance computing architectures that are being employed either as production or research platforms. We examine different performance questions such as: how the workload should be partitioned among the processors to effectively use the computing resources; whether these platforms exhibit similar performance bottlenecks and how to address them; whether some platforms perform substantially better than others; and finally, what are the implications of BeamBeam3D for the design of the next generation supercomputer architectures. C1 [Shan, Hongzhang; Strohmaier, Erich] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Qiang, Ji] Lawrence Berkeley Natl Lab, Accelerator & Fus Div, Berkeley, CA USA. RP Shan, H (reprint author), Lawrence Berkeley Natl Lab, Computat Res Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM ESTROHMAIER@LBL.GOV NR 15 TC 2 Z9 2 U1 0 U2 3 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 SPR PY 2008 VL 22 IS 1 BP 21 EP 32 DI 10.1177/1094342006085024 PG 12 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 270LZ UT WOS:000253723600003 ER PT J AU De Supinski, BR Schulz, M Bulatov, VV Cabot, W Chan, B Cook, AW Draegerl, EW Glosli, JN Greenough, JA Henderson, K Kubota, A Louis, S Miller, BJ Patel, MV Spelce, TE Streitz, FH Williams, PL Yates, RK Yoo, A Almasi, G Bhanot, G Gara, A Gunnels, JA Gupta, M Moreira, J Sexton, J Walkup, B Archer, C Gygi, F Germann, TC Kadau, K Lomdahl, PS Rendleman, C Welcome, ML McLendon, W Hendrickson, B Franchetti, F Kraig, S Lorenz, J Ueberhuber, CW Chow, E Catalyurek, U AF De Supinski, Bronis R. Schulz, Martin Bulatov, Vasily V. Cabot, William Chan, Bor Cook, Andrew W. Draegerl, Erik W. Glosli, James N. Greenough, Jeffrey A. Henderson, Keith Kubota, Alison Louis, Steve Miller, Brian J. Patel, Mehul V. Spelce, Thomas E. Streitz, Frederick H. Williams, Peter L. Yates, Robert K. Yoo, Andy Almasi, George Bhanot, Gyan Gara, Alan Gunnels, John A. Gupta, Manish Moreira, Jose Sexton, James Walkup, Bob Archer, Charles Gygi, Francois Germann, Timothy C. Kadau, Kai Lomdahl, Peter S. Rendleman, Charles Welcome, Michael L. McLendon, William Hendrickson, Bruce Franchetti, Franz Kraig, Stefan Lorenz, Juergen Ueberhuber, Christoph W. Chow, Edmond Catalyuerek, Uemit TI Bluegene/L applications: Parallelism on a massive scale SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE massively parallel architectures; BlueGene/L; application scalability; performance study and optimization ID TRANSITION-METALS; MOLECULAR-DYNAMICS; ALGORITHM AB BlueGene/L (BG/L), developed through a partnership between IBM and Lawrence Livermore National Laboratory (LLNL), is currently the world's largest system both in terms of scale, with 131,072 processors, and absolute performance, with a peak rate of 367 Tflop/s. BG/L has led the last four Top500 lists with a Unpack rate of 280.6 Tflop/s for the full machine installed at LLNL and is expected to remain the fastest computer in the next few editions. However, the real value of a machine such as BG/L derives from the scientific breakthroughs that real applications can produce by successfully using its unprecedented scale and computational power. In this paper, we describe our experiences with eight large scale applications on BG/L from several application domains, ranging from molecular dynamics to dislocation dynamics and turbulence simulations to searches in semantic graphs. We also discuss the challenges we faced when scaling these codes and present several successful optimization techniques. All applications show excellent scaling behavior, even at very large processor counts, with one code even achieving a sustained performance of more than 100 Tflop/s, clearly demonstrating the real success of the BG/L design. C1 [De Supinski, Bronis R.; Schulz, Martin; Bulatov, Vasily V.; Cabot, William; Chan, Bor; Cook, Andrew W.; Draegerl, Erik W.; Glosli, James N.; Greenough, Jeffrey A.; Henderson, Keith; Kubota, Alison; Louis, Steve; Miller, Brian J.; Patel, Mehul V.; Spelce, Thomas E.; Streitz, Frederick H.; Williams, Peter L.; Yates, Robert K.; Yoo, Andy] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Gygi, Francois] Univ Calif Davis, Davis, CA 95616 USA. [Germann, Timothy C.; Kadau, Kai; Lomdahl, Peter S.] Los Alamos Natl Lab, Los Alamos, NM USA. [Rendleman, Charles; Welcome, Michael L.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [McLendon, William; Hendrickson, Bruce] Sandia Natl Labs, Livermore, CA 94550 USA. [Franchetti, Franz] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Kraig, Stefan; Lorenz, Juergen; Ueberhuber, Christoph W.] Vienna Univ Technol, Vienna, Austria. [Catalyuerek, Uemit] Ohio State Univ, Columbus, OH 43210 USA. RP De Supinski, BR (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM BRONIS@LLNL.GOV RI Catalyurek, Umit/A-2454-2008; OI Catalyurek, Umit/0000-0002-5625-3758; Patel, Mehul/0000-0002-0486-010X; Germann, Timothy/0000-0002-6813-238X NR 32 TC 1 Z9 1 U1 0 U2 3 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 SPR PY 2008 VL 22 IS 1 BP 33 EP 51 DI 10.1177/1094342007085025 PG 19 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 270LZ UT WOS:000253723600004 ER PT J AU Alam, SR Barrett, RF Fahey, MR Kuehn, JA Messer, OEB Mills, RT Roth, PC Vetter, JS Worley, PH AF Alam, Sadaf R. Barrett, Richard F. Fahey, Mark R. Kuehn, Jeffery A. Messer, O. E. Bronson Mills, Richard T. Roth, Philip C. Vetter, Jeffrey S. Worley, Patrick H. TI An evaluation of the oak ridge national laboratory Cray XT3 SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE Cray XT3; Catamount lightweight kernel; performance evaluation; benchmarks; applications ID DIRECT NUMERICAL-SIMULATION; COMMUNITY CLIMATE MODEL; MOLECULAR-DYNAMICS; PERFORMANCE EVALUATION; SYSTEM MODEL; FLAMES; STANDARD; VERSION AB In 2005, Oak Ridge National Laboratory (ORNL) received delivery of a 5294 processor Cray XT3. The XT3 is Cray's third-generation massively parallel processing system. The ORNL system uses a single-processor node built around the AMD Opteron and uses a custom chip-called SeaStar-for interprocessor communication. The system uses a lightweight operating system called Catamount on its compute nodes. This paper provides a performance evaluation of the Cray XT3, including measurements for micro-benchmark, kernel, and application benchmarks. In particular, we provide performance results for strategic Department of Energy applications areas including climate, biology, astrophysics, combustion, and fusion. Our results, on up to 4096 processors, demonstrate that the Cray XT3 provides competitive processor performance, high interconnect bandwidth, and high parallel efficiency on a diverse application workload, typical in the DOE Office of Science. C1 [Alam, Sadaf R.; Barrett, Richard F.; Fahey, Mark R.; Kuehn, Jeffery A.; Messer, O. E. Bronson; Mills, Richard T.; Roth, Philip C.; Vetter, Jeffrey S.; Worley, Patrick H.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Alam, SR (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM VETTER@COMPUTER.ORG RI Messer, Bronson/G-1848-2012 OI Messer, Bronson/0000-0002-5358-5415 NR 47 TC 10 Z9 10 U1 0 U2 8 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 SPR PY 2008 VL 22 IS 1 BP 52 EP 80 DI 10.1177/1094342007085019 PG 29 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 270LZ UT WOS:000253723600005 ER PT J AU Nakano, A Kalia, RK Nomura, KI Sharma, A Vashishta, P Shimojo, F Van Duin, ACT Goddard, WA Biswas, R Srivastava, D Yang, LH AF Nakano, Aiichiro Kalia, Rajiv K. Nomura, Ken-Ichi Sharma, Ashish Vashishta, Priya Shimojo, Fuyuki Van Duin, Adri C. T. Goddard, William A., III Biswas, Rupak Srivastava, Deepak Yang, Lin H. TI De novo ultrascale atomistic simulations on high-end parallel supercomputers SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE hierarchical simulation; molecular dynamics; reactive force field; quantum mechanics; density functional theory; parallel computing; grid computing ID MOLECULAR-DYNAMICS SIMULATIONS; DENSITY-FUNCTIONAL THEORY; ELECTRONIC-STRUCTURE METHODS; COMPUTATIONAL CHEMISTRY; SPACE; COMPUTERS; ALGORITHM; IMPLEMENTATION; OXIDATION; CERAMICS AB We present a de novo, hierarchical simulation framework for first-principles based predictive simulations of materials and their validation on high-end parallel supercomputers and geographically distributed clusters. In this framework, high-end chemically reactive and non-reactive molecular dynamics (MID) simulations explore a wide solution space to discover microscopic mechanisms that govern macroscopic material properties, into which highly accurate quantum mechanical (QM) simulations are embedded to validate the discovered mechanisms and quantify the uncertainty of the solution. The framework includes an embedded divide-and conquer (EDC) algorithmic framework for the design of linear-scaling simulation algorithms with minimal bandwidth complexity and tight error control. The EDC framework also enables adaptive hierarchical simulation with automated model transitioning assisted by graph-based event tracking. A tunable hierarchical cellular decomposition parallelization framework then maps the O(N) EDC algorithms onto petaflops computers, while achieving performance tunability through a hierarchy of parameterized cell data/ computation structures, as well as its implementation using hybrid grid remote procedure call + message passing + threads programming. High-end computing platforms such as IBM BlueGene/L, SGI Altix 3000 and the NSF TeraGrid provide an excellent test grounds for the framework. On these platforms, we have achieved unprecedented scales of quantum-mechanically accurate and well validated, chemically reactive atomistic simulations-1.06 billion-atom fast reactive force-field MID and 11.8 million-atom (1.04 trillion grid points) quantum-mechanical MID in the framework of the EDC density functional theory on adaptive multigrids-in addition to 134 billion-atom non-reactive space-time multiresolution MD, with the parallel efficiency as high as 0.998 on 65,536 dual-processor BlueGene/L nodes. We have also achieved an automated execution of hierarchical QM/MD simulation on a grid consisting of 6 supercomputer centers in the US and Japan (in total of 150,000 processor hours), in which the number of processors change dynamically on demand and resources are allocated and migrated dynamically in response to faults. Furthermore, performance portability has been demonstrated on a wide range of platforms such as BlueGene/L, Altix 3000, and AMD Opteron-based Linux clusters. C1 [Nakano, Aiichiro; Kalia, Rajiv K.; Nomura, Ken-Ichi; Sharma, Ashish; Vashishta, Priya; Shimojo, Fuyuki] Univ So Calif, Collaborat Adv Comp & Simulat, Los Angeles, CA 90089 USA. [Sharma, Ashish] Ohio State Univ, Dept Biomed Informat, Columbus, OH 43210 USA. [Van Duin, Adri C. T.] Kumamoto Univ, Fac Gen Educ, Dept Phys, Kumamoto 8608555, Japan. [Van Duin, Adri C. T.; Goddard, William A., III] CALTECH, Mat & Proc Simulat Ctr, Pasadena, CA 91125 USA. [Biswas, Rupak; Srivastava, Deepak] NASA, Ames Res Ctr, NASA Adv Supercomp NAS Div, Moffett Field, CA 94035 USA. [Yang, Lin H.] Lawrence Livermore Natl Lab, Phys H Div, Livermore, CA 94551 USA. RP Nakano, A (reprint author), Univ So Calif, Collaborat Adv Comp & Simulat, Los Angeles, CA 90089 USA. EM ANAKANO@USC.EDU NR 58 TC 30 Z9 30 U1 2 U2 13 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 SPR PY 2008 VL 22 IS 1 BP 113 EP 128 DI 10.1177/1094342007085015 PG 16 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 270LZ UT WOS:000253723600008 ER PT J AU Jackson, MG Hogan, CJ AF Jackson, Mark G. Hogan, Craig J. TI A new spin on quantum gravity SO INTERNATIONAL JOURNAL OF MODERN PHYSICS D LA English DT Article DE cosmological constant; spin-statistics; holography; quantum cosmology. ID PAULI EXCLUSION-PRINCIPLE; COSMOLOGICAL CONSTANT; EXPERIMENTAL LIMIT; STATISTICS; VIOLATION AB We suggest that the (small but nonvanishing) cosmological constant, and the holographic properties of gravitational entropy, may both reflect unconventional quantum spin statistics at a fundamental level. This conjecture is motivated by the nonlocality of quantum gravity and the fact that spin is an inherent property of space-time. As an illustration we consider the "quon" model, which interpolates between Fermi and Bose statistics, and show that this can naturally lead to an arbitrarily small cosmological constant. In addition to laboratory tests, we briefly discuss the possible observable imprint on cosmological fluctuations from inflation. C1 [Jackson, Mark G.] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. [Hogan, Craig J.] Univ Washington, Dept Phys & Astron, Seattle, WA 98195 USA. RP Jackson, MG (reprint author), Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, POB 500, Batavia, IL 60510 USA. EM markj@fnal.gov; hogan@u.washington.edu NR 15 TC 2 Z9 2 U1 0 U2 3 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-2718 J9 INT J MOD PHYS D JI Int. J. Mod. Phys. D PD MAR-APR PY 2008 VL 17 IS 3-4 BP 567 EP 570 DI 10.1142/S0218271808012279 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 297IN UT WOS:000255610500021 ER PT J AU Sherman, MH Walker, IS AF Sherman, Max H. Walker, Iain S. TI Air Distribution Effectiveness for Different Mechanical Ventilation Systems SO INTERNATIONAL JOURNAL OF VENTILATION LA English DT Article DE distribution; ventilation effectiveness; mechanical systems; multi-tracer; field measurement AB The purpose of ventilation is to dilute indoor contaminants that an occupant is exposed to. In a multi-zone environment such as a house, there will be different dilution rates and different source strengths in every zone. Most US homes have central HVAC systems, which tend to mix conditions between zones. Different types of ventilation systems will provide different amounts of dilution depending on the effectiveness of their air distribution systems and the location of sources and occupants. This paper will report on work being done to model the impact of different systems and to outline measurements using a new multi-tracer measurement system that has the capacity to measure not only the flow of outdoor air to each zone, but zone-to-zone transport. The ultimate objective of this project is to determine the effectiveness of different systems so that appropriate adjustments can be made in residential ventilation standards such as ASHRAE Standard 62.2. C1 [Sherman, Max H.; Walker, Iain S.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Sherman, MH (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. FU U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of the Building Technologies Program, U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 9 TC 3 Z9 3 U1 0 U2 3 PU VEETECH LTD PI CONVENTRY PA 7A BARCLAYS VENTURE CENTRE, UNIV WARWICK SCI PARK, SIR WILLIAM LYONS RD, CONVENTRY, CV4 7EZ, ENGLAND SN 1473-3315 J9 INT J VENT JI Int. J. Vent. PD MAR PY 2008 VL 6 IS 4 BP 307 EP 313 PG 7 WC Construction & Building Technology; Energy & Fuels SC Construction & Building Technology; Energy & Fuels GA V12FK UT WOS:000207584900003 ER PT J AU Marlay, RC AF Marlay, Robert C. TI Energy in all directions SO ISSUES IN SCIENCE AND TECHNOLOGY LA English DT Letter C1 US DOE, US Climate Change Technol Program, Washington, DC USA. RP Marlay, RC (reprint author), US DOE, US Climate Change Technol Program, Washington, DC USA. EM Robert.Marlay@hq.doe.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0748-5492 J9 ISSUES SCI TECHNOL JI Issues Sci. Technol. PD SPR PY 2008 VL 24 IS 3 BP 21 EP 21 PG 1 WC Engineering, Multidisciplinary; Engineering, Industrial; Multidisciplinary Sciences; Social Issues SC Engineering; Science & Technology - Other Topics; Social Issues GA 289SN UT WOS:000255074300017 ER PT J AU Adiga, SP Curtiss, LA Elam, JW Pellin, MJ Shih, CC Shih, CM Lin, SJ Su, YY Gittard, SA Zhang, J Narayan, RJ AF Adiga, Shashishekar P. Curtiss, Larry A. Elam, Jeffrey W. Pellin, Michael J. Shih, Chun-Che Shih, Chun-Ming Lin, Shing-Jong Su, Yea-Yang Gittard, Shaun A. Zhang, Junping Narayan, Roger J. TI Nanoporous materials for biomedical devices SO JOM LA English DT Article ID NANOCAPILLARY ARRAY MEMBRANES; ATOMIC LAYER DEPOSITION; POROUS MEMBRANES; POLYMER BRUSHES; OXIDE MEMBRANES; FLOW-CONTROL; TRANSPORT; DIFFUSION; SILICON; TISSUE AB Nanoporous materials are currently being developed for use in implantable drug delivery systems, bioartificial organs, and other novel medical devices. Advances in nanofabrication have made it possible to precisely control the pore size, pore distribution, porosity, and chemical properties of pores it? nanoporous materials. As a result, these materials are attractive for regulating and sensing transport at the molecular level. In this work, the use of nanoporous membranes for biomedical applications is reviewed. The basic concepts underlying membrane transport are presented in the context of design considerations for efficient size sorting. Desirable properties of nanoporous membranes used in implantable devices, including biocompatibility and antibiofouling behavior, are also discussed. In addition, the use of surface modification techniques to improve the function of nanoporous membranes is reviewed. An intriguing possibility involves functionalizing nanoporous materials with smart polymers in order to modulate biomolecular transport in response to pH, temperature, ionic concentration, or other stimuli. These efforts open up avenues to develop smart medical devices that respond to specific physiological conditions. C1 [Adiga, Shashishekar P.; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Elam, Jeffrey W.] Argonnes Energy Systems Div, Argonne, IL USA. [Pellin, Michael J.] Argonnes Mat Sci Div, Argonne, IL USA. [Shih, Chun-Che; Lin, Shing-Jong; Su, Yea-Yang] Natl Yang Ming Univ, Inst Clin Med, Sch Med, Div Cardiovasc Surg,Taipei Vet Gen Hosp, Taipei 112, Taiwan. [Shih, Chun-Che; Lin, Shing-Jong] Natl Yang Ming Univ, Cardiovasc Res Ctr, Taipei 112, Taiwan. [Shih, Chun-Ming] Taipei Med Univ, Grad Inst Med Sci, Sch Med, Taipei, Taiwan. [Lin, Shing-Jong] Taipei Vet Gen Hosp, Div Cardiol, Taipei, Taiwan. [Gittard, Shaun A.; Zhang, Junping; Narayan, Roger J.] Univ N Carolina, Dept Biomed Engn, Chapel Hill, NC USA. RP Adiga, SP (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Adiga, Shashishekar/A-8353-2008; Pellin, Michael/B-5897-2008; Narayan, Roger/J-2789-2013 OI Pellin, Michael/0000-0002-8149-9768; Narayan, Roger/0000-0002-4876-9869 NR 52 TC 35 Z9 35 U1 1 U2 29 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1047-4838 J9 JOM-US JI JOM PD MAR PY 2008 VL 60 IS 3 BP 26 EP 32 DI 10.1007/s11837-008-0028-9 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 272IK UT WOS:000253852900007 ER PT J AU Kreitz, PA AF Kreitz, Patricia A. TI Best practices for managing organizational diversity SO JOURNAL OF ACADEMIC LIBRARIANSHIP LA English DT Bibliography AB Organizations with increasingly diverse workforces and customer populations face challenges in reaping diversity's benefits while managing its potentially disruptive effects. This article defines workplace diversity and identifies best practices supporting planned and positive diversity management. It explores how academic libraries can apply diversity management best practices and provides a reading list for leaders and human resource managers wishing to optimize their organization's approach to diversity. C1 [Kreitz, Patricia A.] Stanford Univ, Stanford Linear Accelerator Ctr, Tech Informat Serv, Stanford, CA 94305 USA. [Kreitz, Patricia A.] Simmons Coll, Grad Sch Lib & Informat Studies, Informat Profess Program, Boston, MA 02115 USA. RP Kreitz, PA (reprint author), Stanford Univ, Stanford Linear Accelerator Ctr, Tech Informat Serv, Stanford, CA 94305 USA. EM pkreitz@slac.stanford.edu NR 0 TC 13 Z9 13 U1 1 U2 7 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0099-1333 J9 J ACAD LIBR JI J. Acad. Librariansh. PD MAR PY 2008 VL 34 IS 2 BP 101 EP 120 DI 10.1016/j.acalib.2007.12.001 PG 20 WC Information Science & Library Science SC Information Science & Library Science GA 280HA UT WOS:000254415300002 ER PT J AU Perdian, DC Bajic, SJ Baldwin, DP Houk, RS AF Perdian, D. C. Bajic, Stanley J. Baldwin, David P. Houk, R. S. TI Time-resolved studies of particle effects in laser ablation inductively coupled plasma-mass spectrometry SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY LA English DT Article ID ND-YAG LASER; DRIED SOLUTION AEROSOLS; LA-ICP-MS; ELEMENTAL FRACTIONATION; SIZE DISTRIBUTION; ISOTOPIC FRACTIONATION; 266 NM; FEMTOSECOND; NANOSECOND; BRASS AB Transient signal responses for ablated samples as a function of particle size and laser parameters are characterized. Data are acquired with time resolution of 5 or 6 ms per data point. Large positive spikes in signal are observed and increase in both amplitude and frequency with increasing particle size. Particle sizes are selected using a differential mobility analyzer. Spikes in the signal also increase with decreasing laser rastering rates. A comparison of lasers with pulse widths of 370 fs and 5 ns shows that shortening the pulse width significantly reduces the frequency and amplitude of positive spikes in signal. These large positive spikes are attributed to the vaporization, atomization, and ionization of individual large intact particles, which are considered to be a major cause of fractionation in laser ablation ICP-MS. C1 [Perdian, D. C.; Bajic, Stanley J.; Baldwin, David P.; Houk, R. S.] Iowa State Univ, Ames Lab, US Dept Energy, Dept Chem, Ames, IA 50010 USA. RP Houk, RS (reprint author), Iowa State Univ, Ames Lab, US Dept Energy, Dept Chem, Ames, IA 50010 USA. EM rshouk@iastate.edu NR 38 TC 28 Z9 29 U1 1 U2 25 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0267-9477 J9 J ANAL ATOM SPECTROM JI J. Anal. At. Spectrom. PD MAR PY 2008 VL 23 IS 3 BP 325 EP 335 DI 10.1039/b710074d PG 11 WC Chemistry, Analytical; Spectroscopy SC Chemistry; Spectroscopy GA 279KP UT WOS:000254354400004 ER PT J AU Perdian, DC Bajic, SJ Baldwin, DP Houk, RS AF Perdian, D. C. Bajic, Stanley J. Baldwin, David P. Houk, R. S. TI Time-resolved studies of particle effects in laser ablation inductively coupled plasma-mass spectrometry SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY LA English DT Article ID LA-ICP-MS; ELEMENTAL FRACTIONATION; GLASS SAMPLES; AEROSOLS; DROPLETS; CARRIER AB Time resolved signals in laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) are studied to determine the influence of experimental parameters on ICP-induced fractionation effects. Differences in sample composition and morphology, i.e., ablating brass, glass, or dust pellets, have a profound effect on the time resolved signal. Helium transport gas significantly decreases large positive signal spikes arising from large particles in the ICP. A binder for pellets also reduces the abundance and amplitude of spikes in the signal. MO+ ions also yield signal spikes, but these MO+ spikes generally occur at different times from their atomic ion counterparts. C1 [Perdian, D. C.; Bajic, Stanley J.; Baldwin, David P.; Houk, R. S.] Iowa State Univ, Ames Lab, US Dept Energy, Dept Chem, Ames, IA 50010 USA. RP Houk, RS (reprint author), Iowa State Univ, Ames Lab, US Dept Energy, Dept Chem, Ames, IA 50010 USA. EM rshouk@iastate.edu NR 27 TC 12 Z9 12 U1 1 U2 11 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0267-9477 J9 J ANAL ATOM SPECTROM JI J. Anal. At. Spectrom. PD MAR PY 2008 VL 23 IS 3 BP 336 EP 341 DI 10.1039/b710075b PG 6 WC Chemistry, Analytical; Spectroscopy SC Chemistry; Spectroscopy GA 279KP UT WOS:000254354400005 ER PT J AU Grossman-Clarke, S Liu, YB Zehnder, JA Fast, JD AF Grossman-Clarke, Susanne Liu, Yubao Zehnder, Joseph A. Fast, Jerome D. TI Simulations of the urban planetary boundary layer in an arid metropolitan area SO JOURNAL OF APPLIED METEOROLOGY AND CLIMATOLOGY LA English DT Article ID PHOENIX; MODELS; PRECIPITATION; THUNDERSTORMS; SENSITIVITY; CHEMISTRY; EVOLUTION; ARIZONA; IMPACTS; SYSTEM AB A modified version of the fifth-generation Pennsylvania State University-National Center for Atmospheric Research Mesoscale Model (MM5) was applied to the arid Phoenix, Arizona, metropolitan region. The ability of the model to simulate characteristics of the summertime urban planetary boundary layer (PBL) was tested by comparing model results with observations from two field campaigns conducted in May/June 1998 and June 2001. The modified MM5 included a refined land use/cover classification and updated land use data for Phoenix and bulk approaches of characteristics of the urban surface energy balance. PBL processes were simulated by a version of MM5's Medium-Range Forecast Model (MRF) scheme that was enhanced by new surface flux and nonlocal mixing approaches. Simulated potential temperature profiles were tested against radiosonde data, indicating that the modified MRF scheme was able to simulate vertical mixing and the evolution and height of the PBL with good accuracy and better than the original MRF scheme except in the late afternoon. During both simulation periods, it is demonstrated that the modified MM5 simulated near-surface air temperatures and wind speeds in the urban area consistently and considerably better than the standard MM5 and that wind direction simulations were improved slightly. C1 [Grossman-Clarke, Susanne] Arizona State Univ, Global Inst Sustainabil, Tempe, AZ 85287 USA. [Liu, Yubao] Natl Ctr Atmospher Res, Res Applicat Lab, Boulder, CO 80307 USA. [Zehnder, Joseph A.] Creighton Univ, Dept Atomospher Sci, Omaha, NE 68178 USA. [Fast, Jerome D.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Grossman-Clarke, S (reprint author), Arizona State Univ, Global Inst Sustainabil, POB 873211, Tempe, AZ 85287 USA. EM sg.clarke@asu.edu NR 32 TC 12 Z9 12 U1 0 U2 5 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 1558-8424 EI 1558-8432 J9 J APPL METEOROL CLIM JI J. Appl. Meteorol. Climatol. PD MAR PY 2008 VL 47 IS 3 BP 752 EP 768 DI 10.1175/2007JAMC1647.1 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 286RH UT WOS:000254863200002 ER PT J AU Foord, ME Mackinnon, AJ Patel, PK MacPhee, AG Ping, Y Tabak, M Town, RPJ AF Foord, M. E. Mackinnon, A. J. Patel, P. K. MacPhee, A. G. Ping, Y. Tabak, M. Town, R. P. J. TI Enhanced proton production from hydride-coated foils SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID FAST IGNITION; LASER; PLASMA; SIMULATION; ACCELERATION; FEASIBILITY; GENERATION; TRANSPORT; THERAPY; BEAMS AB Proton generation from the interaction of an intense, short pulse laser with a foil target is simulated using the particle-in-cell hybrid code LSP. The efficiencies for proton production are compared for foils having thin coatings of CH, CH(2), CH(4), and LiH, as well as heavy hydrides such as ErH(3). Enhanced efficiencies are found for both light hydrogen-rich compounds and for heavy hydrides, which in the latter case approach the pure H result. A simple model reproduces these results over a wide range of materials. (C) 2008 American Institute of Physics. C1 [Foord, M. E.; Mackinnon, A. J.; Patel, P. K.; MacPhee, A. G.; Ping, Y.; Tabak, M.; Town, R. P. J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Foord, ME (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM foord1@llnl.gov RI Patel, Pravesh/E-1400-2011; MacKinnon, Andrew/P-7239-2014 OI MacKinnon, Andrew/0000-0002-4380-2906 NR 26 TC 12 Z9 12 U1 1 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD MAR 1 PY 2008 VL 103 IS 5 AR 056106 DI 10.1063/1.2837889 PG 3 WC Physics, Applied SC Physics GA 274TS UT WOS:000254025000117 ER PT J AU Hau-Riege, SP Bionta, RM Ryutov, DD Krzywinski, J AF Hau-Riege, S. P. Bionta, R. M. Ryutov, D. D. Krzywinski, J. TI Measurement of x-ray free-electron-laser pulse energies by photoluminescence in nitrogen gas SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID PHOTON YIELDS; RADIATION; AIR; SCATTERING AB We discuss the physics of a photoluminescence-based pulse-energy detector that will be used to characterize hard x-ray free-electron-laser pulses at the Linac Coherent Light Source. We tested the detector in a quasi-steady-state mode of operation at the conventional synchrotron light source Stanford positron electron assymetric ring 3 at the Stanford Synchrotron Radiation Laboratory. We also developed a Monte-Carlo model for the x-ray interaction with the nitrogen gas and the resulting ultraviolet signal and found good agreement with the experimental data. Remaining discrepancies can, to a large extent, be attributed to the varying luminescence behavior of different chamber wall materials. (C) 2008 American Institute of Physics. C1 [Hau-Riege, S. P.; Bionta, R. M.; Ryutov, D. D.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Krzywinski, J.] Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. RP Hau-Riege, SP (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM hauriege1@llnl.gov NR 26 TC 19 Z9 19 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD MAR 1 PY 2008 VL 103 IS 5 AR 053306 DI 10.1063/1.2844478 PG 9 WC Physics, Applied SC Physics GA 274TS UT WOS:000254025000016 ER PT J AU Maiti, A Gee, RH Hoffman, DM Fried, LE AF Maiti, Amitesh Gee, Richard H. Hoffman, D. Mark Fried, Laurence E. TI Irreversible volume growth in polymer-bonded powder systems: Effects of crystalline anisotropy, particle size distribution, and binder strength SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; THERMAL-EXPANSION; TATB; MECHANICS AB Pressed-powdered crystallites of intrinsically anisotropic materials have been shown to undergo irreversible volume expansion when subjected to repeated cycles of heating and cooling. In a previous letter publication [R. H. Gee , Appl. Phys. Lett. 70, 254105 (2007)], we developed a coarse-grained (micron-scale) interaction Hamiltonian for such a system and quantitatively reproduced experimentally observed irreversible growth through explicit molecular dynamics simulations. In this paper, we report (1) recent experiments with a high-density fluoropolymer binder that significantly lowers irreversible growth, (2) identification of a critical interaction parameter of our model that has a strong correlation with binder properties, (3) sensitivity of irreversible growth to the details of particle size and alignment distribution, and (4) a physical picture of irreversible growth in terms of particle displacements. (C) 2008 American Institute of Physics. C1 [Maiti, Amitesh; Gee, Richard H.; Hoffman, D. Mark; Fried, Laurence E.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Maiti, A (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM maiti2@llnl.gov RI Fried, Laurence/L-8714-2014 OI Fried, Laurence/0000-0002-9437-7700 NR 19 TC 10 Z9 10 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 MAR 1 PY 2008 VL 103 IS 5 AR 053504 DI 10.1063/1.2838319 PG 5 WC Physics, Applied SC Physics GA 274TS UT WOS:000254025000024 ER PT J AU Belas, R Zhulin, IB Yang, Z AF Belas, Robert Zhulin, Igor B. Yang, Zhaomin TI Bacterial signaling and motility: Sure bets SO JOURNAL OF BACTERIOLOGY LA English DT Review ID ESCHERICHIA-COLI; MYXOCOCCUS-XANTHUS; GLIDING MOTILITY; RHODOBACTER-SPHAEROIDES; CHEMORECEPTOR COMPLEX; CAULOBACTER-CRESCENTUS; METHYLESTERASE CHEB; CHEMOTAXIS PROTEIN; REGULATORY DOMAIN; FLAGELLAR MOTOR C1 [Belas, Robert] Univ Maryland, Inst Biotechnol, Ctr Marine Biotechnol, Baltimore, MD 21202 USA. [Zhulin, Igor B.] Univ Tennessee, Oak Ridge Natl Lab, Joint Inst Comp Sci, Oak Ridge, TN 37831 USA. [Yang, Zhaomin] Virginia Polytech Inst & State Univ, Dept Biomed Sci, Blacksburg, VA 24061 USA. RP Belas, R (reprint author), Univ Maryland, Inst Biotechnol, Ctr Marine Biotechnol, 701 E Pratt St, Baltimore, MD 21202 USA. EM belas@umbi.umd.edu RI Zhulin, Igor/A-2308-2012; Yang, Zhaomin/D-4791-2016 OI Zhulin, Igor/0000-0002-6708-5323; Yang, Zhaomin/0000-0002-2044-6793 FU NIGMS NIH HHS [GM72285, R01 GM071601, R01 GM072285, GM071601] NR 75 TC 5 Z9 5 U1 1 U2 5 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD MAR PY 2008 VL 190 IS 6 BP 1849 EP 1856 DI 10.1128/JB.01943-07 PG 8 WC Microbiology SC Microbiology GA 271YV UT WOS:000253825500001 PM 18203824 ER PT J AU Small, W Buckley, PR Wilson, TS Loge, JM Maitland, KD Maitland, DJ AF Small, Ward, IV Buckley, Patrick R. Wilson, Thomas S. Loge, Jeffrey M. Maitland, Kristen D. Maitland, Duncan J. TI Fabrication and characterization of cylindrical light diffusers comprised of shape memory polymer SO JOURNAL OF BIOMEDICAL OPTICS LA English DT Article DE diffuser; fiber optics; laser; shape memory polymer ID PLASTIC OPTICAL-FIBERS; PHOTODYNAMIC THERAPY; LIVER-TUMORS; STENT; COAGULATION; PERFORMANCE; DESIGN AB We developed a technique for constructing light diffusing devices comprised of a flexible shape memory polymer (SMP) cylindrical diffuser attached to the tip of an optical fiber. The devices are fabricated by casting an SMP rod over the cleaved tip of an optical fiber and media blasting the SMP rod to create a light diffusing surface. The axial and polar emission profiles and circumferential (azimuthal) uniformity are characterized for various blasting pressures, nozzle-to-sample distances, and nozzle translation speeds. The diffusers are generally strongly forward-directed and consistently withstand over 8 W of incident IR laser light without suffering damage when immersed in water. These devices are suitable for various endoluminal and interstitial biomedical applications. (C) 2008 Society of Photo-Optical Instrumentation Engineers. C1 [Small, Ward, IV; Buckley, Patrick R.; Wilson, Thomas S.; Loge, Jeffrey M.; Maitland, Kristen D.; Maitland, Duncan J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Small, W (reprint author), Lawrence Livermore Natl Lab, L-211-7000 East Ave, Livermore, CA 94550 USA. EM small3@llnl.gov RI Maitland, Kristen/D-6961-2011 OI Maitland, Kristen/0000-0003-0931-0622 FU NIBIB NIH HHS [R01 EB000462, R01 EB000462-06, R01EB000462] NR 23 TC 12 Z9 12 U1 1 U2 15 PU SPIE-SOC PHOTOPTICAL INSTRUMENTATION ENGINEERS PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA SN 1083-3668 J9 J BIOMED OPT JI J. Biomed. Opt. PD MAR-APR PY 2008 VL 13 IS 2 AR 024018 DI 10.1117/1.2904952 PG 7 WC Biochemical Research Methods; Optics; Radiology, Nuclear Medicine & Medical Imaging SC Biochemistry & Molecular Biology; Optics; Radiology, Nuclear Medicine & Medical Imaging GA 309CM UT WOS:000256438300036 PM 18465981 ER PT J AU An, G Faeder, J Vodovotz, Y AF An, Gary Faeder, James Vodovotz, Yoram TI Translational systems biology: Introduction of an engineering approach to the pathophysiology of the burn patient SO JOURNAL OF BURN CARE & RESEARCH LA English DT Article ID ACUTE INFLAMMATORY RESPONSE; REDUCED MATHEMATICAL-MODEL; IN-SILICO; MICROVASCULAR EXCHANGE; WOUND CONTRACTION; CRITICAL ILLNESS; COMPLEX-SYSTEMS; CLINICAL-TRIALS; INJURY; RESUSCITATION AB The pathophysiology of the burn patient manifests the full spectrum of the complexity of the inflammatory response. In the acute phase, inflammation may have negative effects via capillary leak, the propagation of inhalation injury, and development of multiple organ failure. Attempts to mediate these processes remain a central subject of burn care research. Conversely, inflammation is a necessary prologue and component in the later stage processes of wound healing. Despite the volume of information concerning the cellular and molecular processes involved in inflammation, there exists a significant gap between the knowledge of mechanistic pathophysiology and the development of effective clinical therapeutic regimens. Translational systems biology (TSB) is the application of dynamic mathematical modeling and certain engineering principles to biological systems to integrate mechanism with phenomenon and, importantly, to revise clinical practice. This study will review the existing applications of TSB in the areas of inflammation and wound healing, relate them to specific areas of interest to the burn community, and present an integrated framework that links TSB with traditional burn research. C1 [An, Gary] Northwestern Univ, Dept Surg, Div Trauma Crit Care, Chicago, IL 60611 USA. [An, Gary; Vodovotz, Yoram] Univ Pittsburgh, Ctr Inflammat & Regenerat Modeling, McGowan Inst Regenerat Med, Pittsburgh, PA 15260 USA. [Faeder, James] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Vodovotz, Yoram] Univ Penn, Dept Surg, Philadelphia, PA 19104 USA. RP An, G (reprint author), Northwestern Univ, Dept Surg, Div Trauma Crit Care, Galter 10-105,201 E Huron, Chicago, IL 60611 USA. OI An, Gary/0000-0003-4549-9004 FU NHLBI NIH HHS [R01 HL 76154-02, R01 HL076157, R01 HL080926, R01 HL 080926-01]; NIGMS NIH HHS [P50 GM053789, R01 GM 67240-02, P50 GM 53789-08, R01 GM067240] NR 89 TC 34 Z9 36 U1 0 U2 4 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1559-047X J9 J BURN CARE RES JI J. Burn Care Res. PD MAR-APR PY 2008 VL 29 IS 2 BP 277 EP 285 DI 10.1097/BCR.0b013e31816677c8 PG 9 WC Emergency Medicine; Dermatology; Surgery SC Emergency Medicine; Dermatology; Surgery GA 280EQ UT WOS:000254408500001 PM 18354282 ER PT J AU Hindson, BJ Reid, SM Baker, BR Ebert, K Ferris, NP Tammero, LFB Lenhoff, RJ Naraghi-Arani, P Vitalis, EA Slezak, TR Hullinger, PJ King, DP AF Hindson, Benjamin J. Reid, Scott M. Baker, Brian R. Ebert, Katja Ferris, Nigel P. Tammero, Lance F. Bentley Lenhoff, Raymond J. Naraghi-Arani, Pejman Vitalis, Elizabeth A. Slezak, Thomas R. Hullinger, Pamela J. King, Donald P. TI Diagnostic evaluation of multiplexed reverse transcription-PCR microsphere array assay for detection of foot-and-mouth and look-alike disease viruses SO JOURNAL OF CLINICAL MICROBIOLOGY LA English DT Article ID POLYMERASE-CHAIN-REACTION; TIME RT-PCR; VIRAL-DIARRHEA-VIRUS; REAL-TIME; HIGH-THROUGHPUT; RESPIRATORY VIRUSES; BLUETONGUE-VIRUS; RAPID DETECTION; IDENTIFICATION; DIFFERENTIATION AB A high-throughput multiplexed assay was developed for the differential laboratory detection of foot-and-mouth disease virus (FMDV) from viruses that cause clinically similar diseases of livestock. This assay simultaneously screens for five RNA and two DNA viruses by using multiplexed reverse transcription-PCR (mRT-PCR) amplification coupled with a microsphere hybridization array and flow-cytometric detection. Two of the 17 primer-probe sets included in this multiplex assay were adopted from previously characterized real-time RT-PCR (rRT-PCR) assays for FMDV. The diagnostic accuracy of the mRT-PCR assay was evaluated using 287 field samples, including 247 samples (213 true-positive samples and 35 true-negative samples) from suspected cases of foot-and-mouth disease collected from 65 countries between 1965 and 2006 and 39 true-negative samples collected from healthy animals. The mRT-PCR assay results were compared to those of two singleplex rRT-PCR assays, using virus isolation with antigen enzyme-linked immunosorbent assays as the reference method. The diagnostic sensitivity of the mRT-PCR assay for FMDV was 93.9% (95% confidence interval [CI], 89.8 to 96.4%), and the sensitivity was 98.1% (95% CI, 95.3 to 99.3%) for the two singleplex rRT-PCR assays used in combination. In addition, the assay could reliably differentiate between FMDV and other vesicular viruses, such as swine vesicular disease virus and vesicular exanthema of swine virus. Interestingly, the mRT-PCR detected parapoxvirus (n = 2) and bovine viral diarrhea virus (n = 2) in clinical samples, demonstrating the screening potential of this mRT-PCR assay to identify viruses in FMDV-negative material not previously recognized by using focused single-target rRT-PCR assays. C1 [Hindson, Benjamin J.; Baker, Brian R.; Tammero, Lance F. Bentley; Lenhoff, Raymond J.; Naraghi-Arani, Pejman; Vitalis, Elizabeth A.; Slezak, Thomas R.; Hullinger, Pamela J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Reid, Scott M.; Ebert, Katja; Ferris, Nigel P.; King, Donald P.] Inst Food Res, Inst Anim Hlth, Pirbright Lab, Woking GU24 0NF, Surrey, England. RP Hindson, BJ (reprint author), Lawrence Livermore Natl Lab, POB 808,L-211, Livermore, CA 94551 USA. EM hindson1@llnl.gov RI Baker, Brian/C-1628-2009; Reid, Scott/C-8204-2011; OI King, Donald/0000-0002-6959-2708 FU Biotechnology and Biological Sciences Research Council [BBS/E/I/00001198] NR 40 TC 21 Z9 24 U1 1 U2 3 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0095-1137 J9 J CLIN MICROBIOL JI J. Clin. Microbiol. PD MAR PY 2008 VL 46 IS 3 BP 1081 EP 1089 DI 10.1128/JCM.01740-07 PG 9 WC Microbiology SC Microbiology GA 275GL UT WOS:000254059800039 PM 18216216 ER PT J AU Gebert, J Motameny, S Faigle, U Forst, CV Schrader, R AF Gebert, Jutta Motameny, Susanne Faigle, Ulrich Forst, Christian V. Schrader, Rainer TI Identifying genes of gene regulatory networks using formal concept analysis SO JOURNAL OF COMPUTATIONAL BIOLOGY LA English DT Article DE component selection; expression data; formal concept analysis; gene regulatory networks; Mycobacterium tuberculosis ID EXPRESSION AB In order to understand the behavior of a gene regulatory network, it is essential to know the genes that belong to it. Identifying the correct members ( e. g., in order to build a model) is a difficult task even for small subnetworks. Usually only few members of a network are known and one needs to guess the missing members based on experience or informed speculation. It is beneficial if one can additionally rely on experimental data to support this guess. In this work we present a new method based on formal concept analysis to detect unknown members of a gene regulatory network from gene expression time series data. We show that formal concept analysis is able to find a list of candidate genes for inclusion into a partially known basic network. This list can then be reduced by a statistical analysis so that the resulting genes interact strongly with the basic network and therefore should be included when modeling the network. The method has been applied to the DNA repair system of Mycobacterium tuberculosis. In this application, our method produces comparable results to an already existing method of component selection while it is applicable to a broader range of problems. C1 [Gebert, Jutta; Motameny, Susanne; Faigle, Ulrich; Schrader, Rainer] Univ Cologne, Ctr Appl Comp Sci, D-50931 Cologne, Germany. [Forst, Christian V.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Motameny, S (reprint author), Univ Cologne, Ctr Appl Comp Sci, Weyertal 80, D-50931 Cologne, Germany. EM motameny@zpr.uni-koeln.de NR 13 TC 6 Z9 6 U1 0 U2 2 PU MARY ANN LIEBERT INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 1066-5277 J9 J COMPUT BIOL JI J. Comput. Biol. PD MAR PY 2008 VL 15 IS 2 BP 185 EP 194 DI 10.1089/cmb.2007.0107 PG 10 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 268PH UT WOS:000253591200004 PM 18312149 ER PT J AU Kenny, JP Janssen, CL Valeev, EF Windus, TL AF Kenny, Joseph P. Janssen, Curtis L. Valeev, Edward F. Windus, Theresa L. TI Components for integral evaluation in quantum chemistry SO JOURNAL OF COMPUTATIONAL CHEMISTRY LA English DT Article DE electronic structure; integral; component; software development ID OPERATORS AB Sharing low-level functionality between software packages enables more rapid development of new capabilities and reduces the duplication of work among development groups. Using the component approach advocated by the Common Component Architecture Forum, we have designed a flexible interface for sharing integrals between quantum chemistry codes. Implementation of these interfaces has been undertaken within the Massively Parallel Quantum Chemistry package, exposing both the IntV3 and Cints/Libint integrals packages to component applications. Benchmark timings for Hartree-Fock calculations demonstrate that the overhead due to the added interface code varies significantly, from less than 1% for small molecules with large basis sets to nearly 10% for larger molecules with smaller basis sets. Correlated calculations and density functional approaches encounter less severe performance overheads of less than 5%. While these overheads are acceptable, additional performance losses occur when arbitrary implementation details, such as integral ordering within buffers, must be handled. Integral reordering is observed to add an additional overhead as large as 12%; hence, a common standard for such implementation details is desired for optimal performance. (c) 2007 Wiley Periodicals, Inc. C1 [Kenny, Joseph P.; Janssen, Curtis L.] Sandia Natl Labs, Scalable Computing Res & Design, Livermore, CA 94551 USA. [Valeev, Edward F.] Virginia Polytech Inst & State Univ, Dept Chem, Blacksburg, VA 24061 USA. [Windus, Theresa L.] Iowa State Univ Sci & Technol, Dept Chem, Ames, IA 50011 USA. RP Kenny, JP (reprint author), Sandia Natl Labs, Scalable Computing Res & Design, MS 9158, Livermore, CA 94551 USA. EM jpkenny@sandia.gov RI Valeyev, Eduard/A-5313-2009 OI Valeyev, Eduard/0000-0001-9923-6256 NR 29 TC 7 Z9 7 U1 4 U2 12 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0192-8651 J9 J COMPUT CHEM JI J. Comput. Chem. PD MAR PY 2008 VL 29 IS 4 BP 562 EP 577 DI 10.1002/jcc.20815 PG 16 WC Chemistry, Multidisciplinary SC Chemistry GA 269KS UT WOS:000253648500007 PM 17721922 ER PT J AU Zhang, DZ Zou, Q VanderHeyden, WB Ma, X AF Zhang, Duan Z. Zou, Qisu VanderHeyden, W. Brian Ma, Xia TI Material point method applied to multiphase flows SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE particle-in-cell; material point method; multiphase flow; fluid-structure interaction ID IN-CELL METHOD; GRANULAR-MATERIALS AB The particle-in-cell method (PIC), especially the latest version of it, the material point method (MPM), has shown significant advantage over the pure Lagrangian method or the pure Eulerian method in numerical Simulations of problems involving large deformations. It avoids the mesh distortion and tangling issues associated with Lagrangian methods and the advection errors associated with Eulerian methods. Its application to multiphase flows or multi-material deformations, however, encounters a numerical difficulty of satisfying continuity requirement due to the inconsistence of the interpolation schemes used for different phases. It is shown in Section 3 that current methods of enforcing this requirement either leads to erroneous results or can Cause significant accumulation of errors. In the present paper, a different numerical method is introduced to ensure that the continuity requirement is satisfied with an error consistent with the discretization error and will not grow beyond that during the time advancement in the calculation. This method is independent of physical models. Its numerical implementation is quite similar to the common method used in Eulerian calculations of multiphase flows. Examples calculated using this method are presented. (C) 2007 Elsevier Inc. All rights reserved. C1 [Zhang, Duan Z.; Zou, Qisu; VanderHeyden, W. Brian; Ma, Xia] Los Alamos Natl Lab, Fluid Dynam Grp T 3,B216, Div Theoret, Los Alamos, NM 87545 USA. RP Zhang, DZ (reprint author), Los Alamos Natl Lab, Fluid Dynam Grp T 3,B216, Div Theoret, Los Alamos, NM 87545 USA. EM dzhang@lanl.gov NR 11 TC 26 Z9 31 U1 3 U2 17 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 MAR 1 PY 2008 VL 227 IS 6 BP 3159 EP 3173 DI 10.1016/j.jcp.2007.11.021 PG 15 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 275RU UT WOS:000254090100007 ER PT J AU Barenboim, G Lykken, JD AF Barenboim, Gabriela Lykken, Joseph D. TI Self-accelerating solutions of scalar-tensor gravity SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE dark energy theory; inflation; cosmology of theories beyond the SM ID NAMBU-GOLDSTONE BOSONS; DARK ENERGY; EINSTEIN FRAME; COSMOLOGICAL CONSEQUENCES; JORDAN FRAME; INFLATION; PHANTOM; CONSTANT; PRINCIPLE; UNIVERSE AB Scalar-tensor gravity is the simplest and best understood modi. cation of general relativity, consisting of a real scalar field coupled directly to the Ricci scalar curvature. Models of this type have self-accelerating solutions. In an example inspired by string dilaton couplings, scalar-tensor gravity coupled to ordinary matter exhibits a de Sitter type expansion, even in the presence of a negative cosmological constant whose magnitude exceeds that of the matter density. This unusual behavior does not require phantoms, ghosts or other exotic sources. More generally, we show that any expansion history can be interpreted as arising partly or entirely from scalar-tensor gravity. To distinguish any quintessence or inflation model from its scalar-tensor variants, we use the fact that scalar-tensor models imply deviations of the post-Newtonian parameters of general relativity and time variation of Newton's gravitational coupling G. We emphasize that next-generation probes of modified GR and the time variation of G are an essential complement to dark energy probes based on luminosity distance measurements. C1 [Barenboim, Gabriela] Univ Valencia, CSIC, Dept Fis Teor, E-46100 Valencia, Spain. [Barenboim, Gabriela] Univ Valencia, CSIC, IFIC, E-46100 Valencia, Spain. [Lykken, Joseph D.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Barenboim, G (reprint author), Univ Valencia, CSIC, Dept Fis Teor, Carrer Dr Moliner 50, E-46100 Valencia, Spain. EM gabriela.barenboim@uv.es; lykken@fnal.gov NR 66 TC 6 Z9 6 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1475-7516 J9 J COSMOL ASTROPART P JI J. Cosmol. Astropart. Phys. PD MAR PY 2008 IS 3 AR 017 DI 10.1088/1475-7516/2008/03/017 PG 13 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 285OX UT WOS:000254787200012 ER PT J AU Linder, EV AF Linder, Eric V. TI Gravitational wave sirens as a triple probe of dark energy SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE lensing; classical tests of cosmology ID DISTANCE-REDSHIFT RELATION; INTERGALACTIC MEDIUM; LIGHT-PROPAGATION; UNIVERSES; DENSITY AB Gravitational wave standard sirens have been considered as precision distance indicators of high redshift; however, at high redshift standard sirens or standard candles such as supernovae suffer from lensing noise. We investigate lensing noise as a signal instead and show how measurements of the maximum demagnification (minimum convergence) probe cosmology in a manner highly complementary to the distance itself. Revisiting the original form for minimum convergence we quantify the bias arising from the commonly used approximation. Furthermore, after presenting a new lensing probability function we discuss how the width of the lensed standard siren amplitude distribution also probes growth of structure. Thus standard sirens and candles can serve as triple probes of dark energy, measuring both the cosmic expansion history and growth history. C1 Univ Calif Berkeley, Berkeley Lab, Berkeley, CA 94720 USA. RP Linder, EV (reprint author), Univ Calif Berkeley, Berkeley Lab, Berkeley, CA 94720 USA. EM evlinder@lbl.gov NR 19 TC 5 Z9 5 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 MAR PY 2008 IS 3 AR 019 DI 10.1088/1475-7516/2008/03/019 PG 14 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 285OX UT WOS:000254787200010 ER PT J AU Pierce, DM Sheppard, SD Vianco, PT Regent, JA Grazier, JM AF Pierce, David M. Sheppard, Sheri D. Vianco, Paul T. Regent, Jerome A. Grazier, J. Mark TI Validation of a general fatigue life prediction methodology for sn-ag-cu lead-free solder alloy interconnects SO JOURNAL OF ELECTRONIC PACKAGING LA English DT Article DE fatigue prediction; lead-free solder; electronic packaging AB A general fatigue life prediction methodology, based on a unified creep plasticity damage (UCPD) model, was developed for predicting fatigue cracks in 95.5Sn-3.9Ag-0.6Cu (wt %) solder interconnects. The methodology was developed from isothermal fatigue tests using a double-lap-shear specimen. Finite element analysis model geometries, mesh densities, and assumptions were detailed for both a full model (an octant-symmetry slice of the entire ball grid array (BGA) assembly) and a submodel (the solder joint deemed most likely to fail and the surrounding package layers) to facilitate fatigue prediction. Model validation was based on the thermal mechanical fatigue of plastic BGA solder joints (250-4000 thermal cycles, -55 degrees C to 125 degrees C, and 10 degrees C/min). Metallographic cross sections were used to quantitatively measure crack development. The methodology generally underpredicted the crack lengths but, nonetheless, captured the measured crack lengths within a +/- 2X error band. Possible shortcomings in the methodology, including innaccurate materials properties and part geometries, as well as computational techniques, are discussed in terms of improving both the UCPD constitutive model and the fatigue life prediction methodology fidelity and decreasing the solution time. C1 [Pierce, David M.; Sheppard, Sheri D.] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. [Vianco, Paul T.; Regent, Jerome A.; Grazier, J. Mark] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Pierce, DM (reprint author), Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. NR 20 TC 3 Z9 3 U1 1 U2 3 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 1043-7398 J9 J ELECTRON PACKAGING JI J. Electron. Packag. PD MAR PY 2008 VL 130 IS 1 AR 011003 DI 10.1115/1.2837515 PG 12 WC Engineering, Electrical & Electronic; Engineering, Mechanical SC Engineering GA 290OL UT WOS:000255132000003 ER PT J AU Pierce, DM Sheppard, SD Fossurn, AF Vianco, PT Neilsen, MK AF Pierce, David M. Sheppard, Sheri D. Fossurn, Arlo F. Vianco, Paul T. Neilsen, Mike K. TI Development of the damage state variable for a unified creep plasticity damage constitutive model of the 95.5Sn-3.9Ag-0-6Cu lead-free solder SO JOURNAL OF ELECTRONIC PACKAGING LA English DT Article ID BEHAVIOR; EQUATIONS; FATIGUE; STRESS; JOINTS AB A unified creep plasticity damage (UCPD) constitutive model was developed to predict the fatigue of 95.5Sn-3.9Ag-0.6Cu solder joints. Compression, stress-strain and creep properties were generated in previous studies of this solder Crack damage was reflected in a single state variable, D. in the model. Isothermal fatigue tests were performed at 25 degrees C, 100 degrees C, and 160 degrees C using a double-lap shear test specimen. A new approach to fitting the revised damage model is proposed based on finite element analysis (FEA) simulation of the load decay of the fatigued solder material. Accurate predictions required that those parameters be temperature dependent. The UCPD constitutive model was successfully implemented as a subroutine in the commercial finite element code ANSYS (R). Consistent predictions were obtained as demonstrated by a comparison of results generated from FEA simulation of the test assembly against analogous experimental results. C1 [Pierce, David M.; Sheppard, Sheri D.] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. [Fossurn, Arlo F.; Vianco, Paul T.; Neilsen, Mike K.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Pierce, DM (reprint author), Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. NR 41 TC 3 Z9 3 U1 2 U2 8 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 1043-7398 J9 J ELECTRON PACKAGING JI J. Electron. Packag. PD MAR PY 2008 VL 130 IS 1 AR 011002 DI 10.1115/1.2837513 PG 10 WC Engineering, Electrical & Electronic; Engineering, Mechanical SC Engineering GA 290OL UT WOS:000255132000002 ER PT J AU Cheng, RK Littlejohn, D Nazeer, WA Smith, KO AF Cheng, R. K. Littlejohn, D. Nazeer, W. A. Smith, K. O. TI Laboratory studies of the flow field characteristics of low-swirl injectors for adaptation to fuel-flexible turbines SO JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THE ASME LA English DT Article; Proceedings Paper CT 51st ASME Turbo Expo 2006 CY MAY 06-11, 2006 CL Barcelona, SPAIN SP Amer Soc Mech Engineers (ASME), Int Gas Turbine Inst ID INTENSE ISOTROPIC TURBULENCE; PREMIXED FLAMES; GAS-TURBINES; COMBUSTORS; DYNAMICS; VELOCITY; MODERATE; BOILERS; BURNER AB The low-swirl injector (LSI) is a simple and cost-effective lean premixed combustion, method for natural-gas turbines to achieve ultralow emissions (<5 ppm NOx and CO) without invoking tight control of mixture stoichiometry, elaborate active tip cooling, or costly materials and catalysts. To gain an understanding of how this flame stabilization mechanism remains robust throughout a large range of Reynolds numbers, laboratory. experiments were performed to characterize the flowfield of natural-gas flames at simulated partial load conditions. Also studied was a flame using simulated landfill gas of 50% natural gas and 50% CO2. Using particle image velocimetry, the nonreacting and reacting flowfields were measured at five bulk flow velocities. The results show that the LSI flowfield exhibits similarity features. From the velocity data, an analytical expression for the flame position as function of the flowfield characteristics and turbulent flame speed has been deduced. It shows that the similarity feature coupled with a linear dependency of the turbulent flame speed with bulk flow velocity enables the flame to remain relatively stationary throughout the load range. This expression can be the basis for an analytical model for designing LSIs that operate on alternate gaseous fuels such as slower burning biomass gases or faster burning coal-based syngases. C1 [Cheng, R. K.; Littlejohn, D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Nazeer, W. A.; Smith, K. O.] Solar Turbines Inc, San Diego, CA 92101 USA. RP Cheng, RK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. NR 18 TC 15 Z9 15 U1 1 U2 7 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0742-4795 J9 J ENG GAS TURB POWER JI J. Eng. Gas. Turbines Power-Trans. ASME PD MAR PY 2008 VL 130 IS 2 AR 021501 DI 10.1115/1.2795786 PG 10 WC Engineering, Mechanical SC Engineering GA 292TQ UT WOS:000255289400002 ER PT J AU Martinez-Frias, J Aceves, SM Smith, JR Brandt, H AF Martinez-Frias, Joel Aceves, Salvador M. Smith, J. Ray Brandt, Harry TI A coal-fired power plant with zero-atmospheric emissions SO JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THE ASME LA English DT Article; Proceedings Paper CT ASME International Mechanical Engineering Congress CY NOV 15-21, 2003 CL Washington, DC SP ASME, Fluid Power Syst & Technol Div, ASME, Micro Elect Mech Syst Div, ASME, Fluids Engn Div, ASME, Bioengn Div, ASME, Appl Mech Div, ASME, Elect & Photon Packaging Div, ASME, Mfg Engn Div, ASME, Adv Energy Syst Div, ASME, Aerosp Div ID CARBON-DIOXIDE; CYCLES AB This paper presents the thermodynamic and cost analysis of a coal-based zero-atmospheric emissions electric power plant. The approach involves an oxygen-blown coal gasification unit. The resulting synthetic gas (syngas) is combusted with oxygen in a gas generator to produce the working fluid for the turbines. The combustion produces a gas mixture composed almost entirely of steam and carbon dioxide. These gases drive multiple turbines to produce electricity. The turbine discharge gases pass to a condenser where water is captured. A stream of carbon dioxide then results that can be used for enhanced oil recovery or for sequestration. The term zero emission steam technology is used to describe this technology We present the analysis of a 400 MW electric power plant. The power plant has a net thermal efficiency of 39%. This efficiency is based on the lower heating value of the coal, and includes the energy necessary for coal gasification, air separation, and for carbon dioxide separation and sequestration. This paper also presents an analysis of the cost of electricity and the cost of conditioning carbon dioxide for sequestration. Electricity cost is compared for three different gasification processes (Texaco, Shell, and Koppers-Totzek) and two types of coals (Illinois 6 and Wyodak). COE ranges from 5.95 /kW h to 6.15 /kW In, indicating a 3.4% sensitivity to the gasification processes considered and the coal types used. C1 [Martinez-Frias, Joel; Aceves, Salvador M.; Smith, J. Ray] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Brandt, Harry] Clean Energy Syst Inc, Rancho Cordova, CA 95670 USA. RP Smith, JR (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave,L-644, Livermore, CA 94551 USA. EM saceves@llnl.gov; hbrandt@cleanenergysystems.com RI aceves, salvador/G-9052-2011 OI aceves, salvador/0000-0001-5687-7256 NR 46 TC 0 Z9 0 U1 0 U2 3 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0742-4795 J9 J ENG GAS TURB POWER JI J. Eng. Gas. Turbines Power-Trans. ASME PD MAR PY 2008 VL 130 IS 2 AR 023005 DI 10.1115/1.2771255 PG 7 WC Engineering, Mechanical SC Engineering GA 292TQ UT WOS:000255289400033 ER PT J AU Miers, SA Barna, GL Anderson, CL Blough, JR Inal, MK Ciatti, SA AF Miers, Scott A. Barna, Glen L. Anderson, Carl L. Blough, Jason R. Inal, M. Koray Ciatti, Stephen A. TI A wireless microwave telemetry data transfer technique for reciprocating and rotating components SO JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THE ASME LA English DT Article; Proceedings Paper CT Fall Technical Meeting of the ASME Internal Combustion Engine Division CY SEP 11-14, 2005 CL Ottawa, CANADA SP ASME, Internal Combust Engine Div DE telemetry; torque converter; piston temperature; data acquisition AB Wireless microwave telemetry addresses the difficult issue of obtaining transducer outputs from reciprocating and rotating components through the use of advanced electronic components. This eliminates the requirements of a direct link between the transducer and the acquisition system. Accuracy of the transducer signal is maintained through the use of a double frequency modulation technique which provides temperature stability and a 20 point calibration of the complete system. Multiple transmitters can be used for larger applications and multiple antennas can be used to improve the signal strength and reduce the possibility of dropouts. Examples of automotive torque converter and piston temperature measurements are provided, showing the effectiveness of the wireless measuring technique. C1 [Miers, Scott A.; Ciatti, Stephen A.] Argonne Natl Lab, Argonne, IL 60439 USA. [Barna, Glen L.] IR Telemetr Inc, Houghton, MI 49931 USA. [Inal, M. Koray] Michigan Technol Univ, Houghton, MI 49931 USA. RP Miers, SA (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. OI Ciatti, Stephen/0000-0003-3792-9473 NR 14 TC 0 Z9 0 U1 1 U2 4 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0742-4795 J9 J ENG GAS TURB POWER JI J. Eng. Gas. Turbines Power-Trans. ASME PD MAR PY 2008 VL 130 IS 2 AR 025001 DI 10.1115/1.2771562 PG 9 WC Engineering, Mechanical SC Engineering GA 292TQ UT WOS:000255289400037 ER PT J AU Nisengard, JE Isaacson, JS Ferguson, JF Hinz, E Gauthier, R AF Nisengard, Jennifer E. Isaacson, John S. Ferguson, John F. Hinz, Emily Gauthier, Rory TI Seismic refraction at Ancestral Puebloan sites on the Pajarito Plateau, New Mexico SO JOURNAL OF FIELD ARCHAEOLOGY LA English DT Article ID RESOLUTION AB Geophysical techniques can be used for non-invasive surveys at archaeological sites. One under-utilized technique, seismic refraction, has many potential applications. It is an inexpensive, efficient way to characterize subsurface deposits, especially at sites with shallow accumulations over bedrock. Archaeologists and geophysicists participating in the Summer of Applied Geophysics Experience from Los Alamos National Laboratory and Bandelier National Monument on the Pajarito Plateau in northern New Mexico characterized Ancestral Puebloan sites (A.D. 1200-1450) using this technique. We provide an overview of how seismic refraction works and demonstrate the applicability of seismic refraction for identifying buried archaeological features such as communal structures and walls. C1 [Nisengard, Jennifer E.; Isaacson, John S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Ferguson, John F.] Univ Texas Dallas, Dallas, TX 75230 USA. [Hinz, Emily] Boise State Univ, Boise, ID 83725 USA. [Gauthier, Rory] Bandelier Natl Monument, Los Alamos, NM USA. RP Nisengard, JE (reprint author), Los Alamos Natl Lab, Mail Stop K404, Los Alamos, NM 87545 USA. EM jnisengard@lanl.gov NR 34 TC 2 Z9 2 U1 2 U2 7 PU JOURNAL FIELD ARCHAEOLOGY PI BOSTON PA BOSTON UNIV 675 COMMONWEALTH AVE, BOSTON, MA 02215 USA SN 0093-4690 J9 J FIELD ARCHAEOL JI J. Field Archaeol. PD SPR PY 2008 VL 33 IS 1 BP 85 EP 100 PG 16 WC Archaeology SC Archaeology GA 297MS UT WOS:000255621400006 ER PT J AU Geveke, DJ Brunkhorst, C AF Geveke, David J. Brunkhorst, Christopher TI Radio frequency electric fields inactivation of Escherichia coli in apple cider SO JOURNAL OF FOOD ENGINEERING LA English DT Article DE radio frequency electric fields; apple cider; nonthermal pasteurization; electrical costs; kinetics ID APPARATUS; KINETICS; O157-H7; JUICE; AC AB A nonthermal process using radio frequency electric fields (RFEF) was developed to pasteurize apple cider. An 80 kW RFEF pilot plant system was used to process cider at flow rates of 1.5 and 1.91/min. Escherichia coli K12 in apple cider was exposed to electric field strengths of 20-30 kV/cm at frequencies of 21, 30, and 41 kHz. Treatment times varied from 140 to 420 Vs. Electrical energy costs were calculated using the measured voltages and currents. Energy balances were performed using the inlet and outlet temperatures. RFEF processing at an outlet temperature of 60 degrees C reduced the population of E. coli by 4.8 log, whereas thermal processing at the same conditions had no effect. Varying the frequency between 21 and 41 kHz had no effect on the level of microbial inactivation, however, increasing the treatment time, field strength and outlet temperature enhanced inactivation. The inactivation data at 20 kV/cm and 60 degrees C follow first order kinetics with a calculated D values of 74 mu s. The inactivation data are represented well by the electric field strength model; the calculated critical electric field strength, E-c, for 60 degrees C was 4.0 kV/cm. The electrical energy for RFEF pasteurization was 260 J/ml. The electrical cost was $0.0050/1 of apple cider. Processing temperature had the greatest influence on energy efficiency. A RFEF nonthermal process has been developed to pasteurize apple cider. The effect of varying processing conditions on energy efficiency was investigated and at the optimum condition, the electrical cost appears to be minor. In addition, the RFEF process can be correlated using first order kinetic models. (c) 2007 Elsevier Ltd. All rights reserved. C1 USDA, Eastern Reg Res Ctr, Agr Res Serv, Food Safety Intervent Technol Res Unit, Wyndmoor, PA 19038 USA. Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Geveke, DJ (reprint author), USDA, Eastern Reg Res Ctr, Agr Res Serv, Food Safety Intervent Technol Res Unit, 600 E Mermaid Lane, Wyndmoor, PA 19038 USA. EM david.geveke@ars.usda.gov RI Diaz, Belen/B-8946-2012 NR 23 TC 21 Z9 22 U1 1 U2 14 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0260-8774 J9 J FOOD ENG JI J. Food Eng. PD MAR PY 2008 VL 85 IS 2 BP 215 EP 221 DI 10.1016/j.jfoodeng.2007.06.029 PG 7 WC Engineering, Chemical; Food Science & Technology SC Engineering; Food Science & Technology GA 234QN UT WOS:000251178900006 ER PT J AU Vass, AA Smith, RR Thompson, CV Burnett, MN Dulgerian, N Eckenrode, BA AF Vass, Arpad A. Smith, Rob R. Thompson, Cyril V. Burnett, Michael N. Dulgerian, Nishan Eckenrode, Brian A. TI Odor analysis of decomposing buried human remains SO JOURNAL OF FORENSIC SCIENCES LA English DT Article DE forensic science; human decomposition; odor analysis; human remains detection canines; buried bodies; clandestine graves ID DOGS; SOIL AB This study, conducted at the University of Tennessee's Anthropological Research Facility (ARF), lists and ranks the primary chemical constituents which define the odor of decomposition of human remains as detected at the soil surface of shallow burial sites. Triple sorbent traps were used to collect air samples in the field and revealed eight major classes of chemicals which now contain 478 specific volatile compounds associated with burial decomposition. Samples were analyzed using gas chromatography-mass spectrometry (GC-MS) and were collected below and above the body, and at the soil surface of 1.5-3.5 ft. (0.46-1.07 m) deep burial sites of four individuals over a 4-year time span. New data were incorporated into the previously established Decompositional Odor Analysis (DOA) Database providing identification, chemical trends, and semi-quantitation of chemicals for evaluation. This research identifies the "odor signatures" unique to the decomposition of buried human remains with projected ramifications on human remains detection canine training procedures and in the development of field portable analytical instruments which can be used to locate human remains in shallow burial sites. C1 [Vass, Arpad A.] Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN 37831 USA. [Smith, Rob R.; Thompson, Cyril V.; Burnett, Michael N.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Dulgerian, Nishan] Fed Bur Invest Acad, Lab Div, Evidence Response Team Unit, Quantico, VA 22135 USA. [Eckenrode, Brian A.] Fed Bur Invest Acad, Lab Div, Counterterrorism & Forens Sci Res Unit, Quantico, VA 22135 USA. RP Vass, AA (reprint author), Oak Ridge Natl Lab, Div Life Sci, 1 Belley Valley Rd,POB 2008,X-10,4500S,MS 6101,Ro, Oak Ridge, TN 37831 USA. EM vassaa@ornl.gov NR 21 TC 80 Z9 80 U1 8 U2 69 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0022-1198 J9 J FORENSIC SCI JI J. Forensic Sci. PD MAR PY 2008 VL 53 IS 2 BP 384 EP 391 DI 10.1111/j.1556-4029.2008.00680.x PG 8 WC Medicine, Legal SC Legal Medicine GA 278SF UT WOS:000254305900019 PM 18366571 ER PT J AU Wiens, KC Hamlin, T Harlin, J Suszcynsky, DM AF Wiens, Kyle C. Hamlin, Timothy Harlin, Jeremiah Suszcynsky, David M. TI Relationships among narrow bipolar events, "total'' lightning, and radar-inferred convective strength in Great Plains thunderstorms SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID DETECTION NETWORK; PRECIPITATION FEATURES; FORTE SATELLITE; STORM; ELECTRIFICATION; REFLECTIVITY; EVOLUTION; TROPICS; SYSTEMS; STEPS AB Narrow Bipolar Events (NBEs) are a recently discovered distinct class of intracloud lightning discharges whose associated processes produce the most powerful very high frequency (VHF) radiation observed from lightning. NBEs are thus the prime candidate for proposed satellite-based VHF global lightning mapping and storm tracking missions. In this study, we offer a detailed evaluation of the Great Plains Los Alamos Sferic Array (LASA). We then statistically compare NBE rates to non-NBE lightning rates measured by both the LASA and the National Lightning Detection Network (NLDN) and to NEXRAD radar-inferred metrics of convective strength for thunderstorms in the Great Plains from May to July 2005. We find strong correlations between total lightning rate and convective strength, especially in terms of the height of 30 dBZ radar echo. However, we find much weaker correlations between NBE rate and non-NBE lightning rate and between NBE rate and radar-inferred convective strength. Though NBEs occur in the same storms as other lightning, they cluster more closely in both space and time and may be indicative of specific types of storms and/or specific stages in convective development. Indeed, we find that NBEs are more prevalent in, and perhaps indicative of, the strongest convection. However, even the strongest convection ( as inferred by radar) does not always produce NBEs. We compare these results to past studies of NBEs which were based in Florida. We also briefly discuss the implications of these results for satellite-based VHF lightning detection. C1 [Wiens, Kyle C.; Hamlin, Timothy; Harlin, Jeremiah; Suszcynsky, David M.] Los Alamos Natl Lab, Space & Remote Sensing Sci Grp, ISR 2, Los Alamos, NM 87545 USA. [Wiens, Kyle C.] Texas Tech Univ, Atmospher Sci Grp, Dept Geosci, Lubbock, TX 79409 USA. RP Wiens, KC (reprint author), Los Alamos Natl Lab, Space & Remote Sensing Sci Grp, ISR 2, Los Alamos, NM 87545 USA. EM kyle.wiens@ttu.edu NR 51 TC 27 Z9 31 U1 0 U2 4 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD MAR 1 PY 2008 VL 113 IS D5 AR D05201 DI 10.1029/007JD009400 PG 31 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 270JB UT WOS:000253716000002 ER PT J AU Barbieri, R Pappadopulo, D Rychkov, VS Hall, LJ Papaioannou, AY AF Barbieri, Riccardo Pappadopulo, Duccio Rychkov, Vyacheslav S. Hall, Lawrence J. Papaioannou, Anastasios Y. TI An alternative NMSSM phenomenology with manifest perturbative unification SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE supersymmetric standard model; beyond standard model; Higgs physics ID E(+)E(-) COLLISIONS; MISSING ENERGY; ROOT-S=189 GEV; SINGLE-PHOTON; LEP; EVENTS; SEARCH AB Can supersymmetric models with a moderate stop mass be made consistent with the negative Higgs boson searches at LEP, while keeping perturbative unification manifest? The NMSSM achieves this rather easily, but only if extra matter multiplets filling complete SU(5) representations are present at intermediate energies. As a concrete example which makes use of this feature, we give an analytic description of the phenomenology of a constrained NMSSM close to a Peccei-Quinn symmetry point. The related pseudo-Goldstone boson appears in decays of the Higgs bosons and possibly of the lightest neutralino, and itself decays into b (b) over bar and tau(tau) over bar. C1 [Barbieri, Riccardo; Pappadopulo, Duccio; Rychkov, Vyacheslav S.] Scuola Normale Super Pisa, I-56126 Pisa, Italy. [Barbieri, Riccardo; Pappadopulo, Duccio; Rychkov, Vyacheslav S.] Ist Nazl Fis Nucl, I-56126 Pisa, Italy. [Hall, Lawrence J.; Papaioannou, Anastasios Y.] Univ Calif Berkeley, Berkeley & Theoret Phys Grp, Dept Phys, LBNL, Berkeley, CA 94720 USA. RP Barbieri, R (reprint author), Scuola Normale Super Pisa, Piazza Cavalieri 7, I-56126 Pisa, Italy. NR 32 TC 36 Z9 36 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 MAR PY 2008 IS 3 AR 005 PG 21 WC Physics, Particles & Fields SC Physics GA 285GR UT WOS:000254765800070 ER PT J AU Del Debbio, L Lucini, B Patella, A Pica, C AF Del Debbio, Luigi Lucini, Biagio Patella, Agostino Pica, Claudio TI Quenched mesonic spectrum at large N SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE 1/N expansion; lattice gauge field theories; spontaneous symmetry breaking ID GAUGE-THEORIES; LATTICE QCD; PROPAGATORS; MASSES AB We compute the masses of the p and of the. mesons in the quenched approximation on a lattice with fixed lattice spacing a similar or equal to 0.145 fm for SU(N) gauge theory with N = 2, 3, 4, 6. We find that a simple linear expression in 1/N-2 correctly captures the features of the lowest-lying meson states at those values of N. This enables us to extrapolate to N = 8 the behaviour of m(pi) as a function of the quark mass and of m(rho) as a function of m(pi). Our results for the latter agree within 5% with recent predictions obtained in the AdS/CFT framework. C1 [Del Debbio, Luigi] Univ Edinburgh, Sch Phys & Astron, SUPA, Edinburgh EH9 3JZ, Midlothian, Scotland. [Del Debbio, Luigi; Lucini, Biagio] Isaac Newton Inst Math Sci, Cambridge CB3 0EH, England. [Lucini, Biagio] Univ Coll Swansea, Dept Phys, Swansea SA2 8PP, W Glam, Wales. [Patella, Agostino] Scuola Normale Super Pisa, I-56126 Pisa, Italy. [Patella, Agostino] INFN Pisa, I-56127 Pisa, Italy. [Pica, Claudio] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Del Debbio, L (reprint author), Univ Edinburgh, Sch Phys & Astron, SUPA, Edinburgh EH9 3JZ, Midlothian, Scotland. EM luigi.del.debbio@ed.ac.uk; b.lucini@swansea.ac.uk; agostino.patella@sns.it; pica@bnl.gov NR 26 TC 15 Z9 15 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD MAR PY 2008 IS 3 AR 062 PG 20 WC Physics, Particles & Fields SC Physics GA 285GR UT WOS:000254765800014 ER PT J AU Ellis, RK Giele, WT Kunszt, Z AF Ellis, R. K. Giele, W. T. Kunszt, Z. TI A numerical unitarity formalism for evaluating one-loop amplitudes SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE NLO computations; hadronic colliders ID GAUGE-THEORY; HELICITY AMPLITUDES; HADRON COLLIDERS; TREE AMPLITUDES; QCD AMPLITUDES; YANG-MILLS; INTEGRALS; SINGULARITIES; SCATTERING; GLUONS AB Recent progress in unitarity techniques for one-loop scattering amplitudes makes a numerical implementation of this method possible. We present a 4-dimensional unitarity method for calculating the cut-constructible part of amplitudes and implement the method in a numerical procedure. Our technique can be applied to any one-loop scattering amplitude and offers the possibility that one-loop calculations can be performed in an automatic fashion, as tree-level amplitudes are currently done. Instead of individual Feynman diagrams, the ingredients for our one-loop evaluation are tree-level amplitudes, which are often already known. To study the practicality of this method we evaluate the cut-constructible part of the 4, 5 and 6 gluon one-loop amplitudes numerically, using the analytically known 4, 5 and 6 gluon tree-level amplitudes. Comparisons with analytic answers are performed to ascertain the numerical accuracy of the method. C1 [Ellis, R. K.; Giele, W. T.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Kunszt, Z.] ETH, Zurich, Switzerland. RP Ellis, RK (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM ellis@fnal.gov; giele@fnal.gov; kunszt@itp.phys.ethz.ch RI Kunszt, Zoltan/G-3420-2013 NR 48 TC 123 Z9 123 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD MAR PY 2008 IS 3 AR 003 DI 10.1088/1126-6708/2008/03/003 PG 26 WC Physics, Particles & Fields SC Physics GA 285GR UT WOS:000254765800072 ER PT J AU Kitano, R AF Kitano, Ryuichiro TI A clean slepton mixing signal at the LHC SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE global symmetries; supersymmetry phenomenology; supersymmetric standard model; rare decays ID LEPTON-FLAVOR VIOLATION; NUMBER VIOLATION; SEARCH; DECAYS; LEP2; NLC AB In supersymmetric scenarios where the scalar tau lepton is stable or long-lived, a search for a decay mode chi(0) -> (tau) over tilde mu at the LHC has a good sensitivity to the flavor mixing in the scalar lepton sector. We demonstrate that the sensitivities to the mixing angle at the level of sin theta(23) = 0.15 are possible with an integrated luminosity of 100 fb(-1) if the total production cross section of supersymmetric particles is of the order of 1 pb. The sensitivity to the mixing parameter can be better than the experimental bound from the tau ->mu gamma decay depending on model parameters. C1 Los Alamos Natl Lab, Theoret Div T 8, Los Alamos, NM 87545 USA. RP Kitano, R (reprint author), Los Alamos Natl Lab, Theoret Div T 8, Los Alamos, NM 87545 USA. EM kitano@lanl.gov NR 23 TC 11 Z9 11 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 MAR PY 2008 IS 3 AR 023 PG 7 WC Physics, Particles & Fields SC Physics GA 285GR UT WOS:000254765800053 ER PT J AU Park, G Rosing, T Todd, MD Farrar, CR Hodgkiss, W AF Park, Gyuhae Rosing, Tajana Todd, Michael D. Farrar, Charles R. Hodgkiss, William TI Energy Harvesting for Structural Health Monitoring Sensor Networks SO JOURNAL OF INFRASTRUCTURE SYSTEMS LA English DT Article DE Energy; Monitoring; Structural reliability; Sensors ID WIRELESS POWER TRANSMISSION; CLAMPED CIRCULAR PLATE; MICROWAVE-POWER; VIBRATION; GENERATOR; RECTENNA; SYSTEM; ELECTRONICS; DEVICES; ANTENNA AB This paper reviews the development of energy harvesting for low-power embedded structural health monitoring (SHM) sensing systems. A statistical pattern recognition paradigm for SHM is first presented and the concept of energy harvesting for embedded sensing systems is addressed with respect to the data acquisition portion of this paradigm. Next, various existing and emerging sensing modalities used for SHM and their respective power requirements are summarized followed by a discussion of SHM sensor network paradigms, power requirements for these networks, and power optimization strategies. Various approaches to energy harvesting and energy storage are discussed and limitations associated with the current technology are addressed. The paper concludes by defining some future research directions that are aimed at transitioning the concept of energy harvesting for embedded SHM sensing systems from laboratory research to field-deployed engineering prototypes. Finally, it is noted that many of the technologies discussed herein are applicable to powering any type of low-power embedded sensing system regardless of the application. C1 [Park, Gyuhae; Farrar, Charles R.] Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87545 USA. [Rosing, Tajana] Univ Calif San Diego, Dept Comp Sci & Engn, La Jolla, CA 92093 USA. [Todd, Michael D.] Univ Calif San Diego, Dept Struct Engn, La Jolla, CA 92093 USA. [Hodgkiss, William] Univ Calif San Diego, Dept Elect & Comp Engn, La Jolla, CA 92093 USA. RP Park, G (reprint author), Los Alamos Natl Lab, Engn Inst, POB 1663, Los Alamos, NM 87545 USA. OI Farrar, Charles/0000-0001-6533-6996 NR 95 TC 123 Z9 123 U1 3 U2 35 PU ASCE-AMER SOC CIVIL ENGINEERS PI RESTON PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA SN 1076-0342 EI 1943-555X J9 J INFRASTRUCT SYST JI J. Infrastruct. Syst. PD MAR PY 2008 VL 14 IS 1 BP 64 EP 79 DI 10.1061/(ASCE)1076-0342(2008)14:1(64) PG 16 WC Engineering, Civil SC Engineering GA 436MS UT WOS:000265418800009 ER PT J AU Buchanan, NJ Chen, L Gingrich, DM Liu, S Chen, H Farrell, J Kierstead, J Lanni, F Lissauer, D Ma, H Makowiecki, D Radeka, V Rescia, S Takai, H Ghazlane, H Hoummada, A Wilkens, HG Ban, J Boettcher, S Brooijmans, G Chi, CY Caughron, S Cooke, M Dannheim, D Gara, A Haas, A Katsanos, I Parsons, JA Simion, S Sippach, W Zhang, L Zhou, N Ladygin, E Auge, E Bernier, R Bouchel, M Bozzone, A Breton, D de la Taille, C Falleau, I Imbert, P Martin-Chassard, G Perus, A Richer, JP Tocut, V Veillet, JJ Zerwas, D Hubaut, F Laforge, B Le Dortz, O Martin, D Schwemling, P Collot, J Dzahini, D Gallin-Martel, ML Martin, P Cwienk, D Fent, J Kurchaninov, L Battistoni, G Carminati, L Citterio, M Cleland, W Liu, B Rabel, J Zuk, G Benslama, K Delagnes, E Mansoulie, B Teiger, J Dinkespiler, B Liu, T Stroynowski, R Yang, CA Ye, J Chu, ML Leep, SC Tengp, PK AF Buchanan, N. J. Chen, L. Gingrich, D. M. Liu, S. Chen, H. Farrell, J. Kierstead, J. Lanni, F. Lissauer, D. Ma, H. Makowiecki, D. Radeka, V. Rescia, S. Takai, H. Ghazlane, H. Hoummada, A. Wilkens, H. G. Ban, J. Boettcher, S. Brooijmans, G. Chi, C. -Y. Caughron, S. Cooke, M. Dannheim, D. Gara, A. Haas, A. Katsanos, I. Parsons, J. A. Simion, S. Sippach, W. Zhang, L. Zhou, N. Ladygin, E. Auge, E. Bernier, R. Bouchel, M. Bozzone, A. Breton, D. de la Taille, C. Falleau, I. Imbert, P. Martin-Chassard, G. Perus, A. Richer, J. P. Tocut, V. Veillet, J. -J. Zerwas, D. Hubaut, F. Laforge, B. Le Dortz, O. Martin, D. Schwemling, Ph. Collot, J. Dzahini, D. Gallin-Martel, M. -L. Martin, P. Cwienk, D. Fent, J. Kurchaninov, L. Battistoni, G. Carminati, L. Citterio, M. Cleland, W. Liu, B. Rabel, J. Zuk, G. Benslama, K. Delagnes, E. Mansoulie, B. Teiger, J. Dinkespiler, B. Liu, T. Stroynowski, R. Yang, C. -A. Ye, J. Chu, M. L. Leep, S. -C. Tengp, P. K. TI Design and implementation of the Front End Board for the readout of the ATLAS liquid argon calorimeters SO JOURNAL OF INSTRUMENTATION LA English DT Article DE calorimeters; electronic detector readout concepts (gas, liquid) ID ELECTROMAGNETIC BARREL CALORIMETER; EM CALORIMETER; ELECTRONICS; PERFORMANCE; RESOLUTION; MODULE-0; DETECTOR AB The ATLAS detector has been designed for operation at CERN's Large Hadron Collider. ATLAS includes a complex system of liquid argon calorimeters. The electronics for amplifying, shaping, sampling, pipelining, and digitizing the calorimeter signals is implemented on the Front End Boards (FEBs). This paper describes the design, implementation and production of the FEBs and presents measurement results from testing performed at several stages during the production process. C1 [Ban, J.; Boettcher, S.; Brooijmans, G.; Chi, C. -Y.; Caughron, S.; Cooke, M.; Dannheim, D.; Gara, A.; Haas, A.; Katsanos, I.; Parsons, J. A.; Simion, S.; Sippach, W.; Zhang, L.; Zhou, N.] Columbia Univ, Nevis Labs, Irvington, NY USA. [Buchanan, N. J.; Chen, L.; Gingrich, D. M.; Liu, S.] Univ Alberta, Dept Phys, Ctr Particle Phys, Edmonton, AB, Canada. [Chen, H.; Farrell, J.; Kierstead, J.; Lanni, F.; Lissauer, D.; Ma, H.; Makowiecki, D.; Radeka, V.; Rescia, S.; Takai, H.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Ghazlane, H.; Hoummada, A.] Univ Casablanca, Fac Sci, Casablanca, Morocco. [Wilkens, H. G.] CERN, Geneva, Switzerland. [Ladygin, E.] Joint Inst Nucl Res Dubna, Dubna, Russia. [Auge, E.; Bernier, R.; Bouchel, M.; Bozzone, A.; Breton, D.; de la Taille, C.; Falleau, I.; Imbert, P.; Martin-Chassard, G.; Perus, A.; Richer, J. P.; Tocut, V.; Veillet, J. -J.; Zerwas, D.] Lab Accelerateur Lineaire, F-91405 Orsay, France. [Hubaut, F.; Laforge, B.; Le Dortz, O.; Martin, D.; Schwemling, Ph.] Univ Paris 07, CNRS IN2P3, Univ Paris 06, LPNHE, Paris, France. [Collot, J.; Dzahini, D.; Gallin-Martel, M. -L.; Martin, P.] Univ Grenoble 1, Inst Natl Polytech Grenoble, CNRS IN2P3, LPSC, Grenoble, France. [Cwienk, D.; Fent, J.; Kurchaninov, L.] Werner Heisenberg Inst Phys, Max Planck Inst Phys, Munich, Germany. [Battistoni, G.; Carminati, L.; Citterio, M.] Univ Milan, Dipartimento Fis, Milan, Italy. [Battistoni, G.; Carminati, L.; Citterio, M.] Ist Nazl Fis Nucl, I-20133 Milan, Italy. [Cleland, W.; Liu, B.; Rabel, J.; Zuk, G.] Univ Pittsburgh, Pittsburgh, PA USA. [Benslama, K.] Univ Regina, Regina, SK S4S 0A2, Canada. [Delagnes, E.; Mansoulie, B.; Teiger, J.] Ctr Etud Saclay, DSM DAPNIA, CEA, F-91191 Gif Sur Yvette, France. [Dinkespiler, B.; Liu, T.; Stroynowski, R.; Yang, C. -A.; Ye, J.] So Methodist Univ, Dallas, TX 75275 USA. [Chu, M. L.; Leep, S. -C.; Tengp, P. K.] Acad Sinica, Inst Phys, Taipei 115, Taiwan. [Gingrich, D. M.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Ban, J.] Inst Expt Phys, Kosice, Slovakia. RP Parsons, JA (reprint author), Columbia Univ, Nevis Labs, Irvington, NY USA. EM parsons@nevis.columbia.edu RI Rescia, Sergio/D-8604-2011; delagnes, eric/G-8782-2011; Battistoni, Giuseppe/B-5264-2012; Zhou, Ning/D-1123-2017 OI Rescia, Sergio/0000-0003-2411-8903; Battistoni, Giuseppe/0000-0003-3484-1724; NR 34 TC 31 Z9 31 U1 2 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD MAR PY 2008 VL 3 AR P03004 DI 10.1088/1748-0221/3/03/P03004 PG 51 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 298AW UT WOS:000255659500004 ER PT J AU Chen, X Liu, G Margerie, J Reid, MF AF Chen, Xueyuan Liu, Guokui Margerie, Jean Reid, Michael F. TI A few mistakes in widely used data files for f(n) configurations calculations SO JOURNAL OF LUMINESCENCE LA English DT Article DE rare earth ions energy levels calculations; unfilled f-shells; reduced matrix elements; spin-other-orbit interaction; electrostatically-correlated spin-orbit interaction ID CRYSTAL-FIELD ANALYSES; ENERGY-LEVELS; LIYF4; SYSTEMS; HOSTS AB Several errors were detected in the widely used computer files of reduced matrix elements of spin-other-orbit and electrostatically correlated spin-orbit interactions for f(n) configurations (n = 2-7). The correct values are tabulated and the effects of the above-mentioned errors on published calculated spectra are considered. (C) 2007 Elsevier B.V. All rights reserved. C1 [Margerie, Jean] Ctr Interdisciplinaire Rech Ions & Lasers, UMR 6637, F-14050 Caen, France. [Chen, Xueyuan; Liu, Guokui] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. [Reid, Michael F.] Univ Canterbury, Dept Phys & Astron, Christchurch 1, New Zealand. RP Margerie, J (reprint author), Ctr Interdisciplinaire Rech Ions & Lasers, UMR 6637, 6,Blvd Marechal Juin, F-14050 Caen, France. EM jean.margerie@ensicaen.fr RI Chen, Xueyuan/C-5613-2012; OI Chen, Xueyuan/0000-0003-0493-839X; Reid, Michael/0000-0002-2984-9951 NR 10 TC 11 Z9 11 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-2313 J9 J LUMIN JI J. Lumines. PD MAR PY 2008 VL 128 IS 3 BP 421 EP 427 DI 10.1016/j.jlumin.2007.09.011 PG 7 WC Optics SC Optics GA 254DJ UT WOS:000252566300024 ER PT J AU Franco, A Zapf, V AF Franco, Adolfo, Jr. Zapf, Vivien TI Temperature dependence of magnetic anisotropy in nanoparticles of CoxFe(3-x)O4 SO JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS LA English DT Article DE cobalt ferrite; anisotropy; combustion reaction ID COBALT FERRITE; COFE2O4 POWDERS; NANOCRYSTALS; SPINEL AB In this paper we present a study of the magnetic anisotropy constant of nanocrystalline magnetic particles of CoxFe(3-x)O4, with x ranging from 0.05 to 1.6, synthesized by a combustion reaction. The magnetic anisotropy constants were obtained by fitting the high-field part of the major hysteresis loops with the law of approach equation down to temperatures of 4K and up to fields of 60 kOe. The anisotropy constant depends strongly on both temperature and cobalt content x, exhibiting a nonmonotic dome-shaped dependence on x with a maximum at x = 1.0. We found that fits at lower temperatures, i.e., 4 and 72 K, give values of K-1 that are approximately one order of magnitude higher than those at higher temperatures, i.e., 272 and 340 K. For example, K1 for specimens with x = 0.8 and 1.0 are 4.21x10(7) and 4.22x10(7) ergs/cm(3) at 4K, and 7.64 x 10(6) and 7.51x10(6) ergs/cm(3) at 340 K, respectively. Thus, our determination of temperature-dependence of the anisotropy constant represents an improvement over existing works. (C) 2007 Elsevier B.V. All rights reserved. C1 [Franco, Adolfo, Jr.; Zapf, Vivien] Univ Catolica Goias, Dept Matemat & Fis, BR-74605010 Goiania, Go, Brazil. [Franco, Adolfo, Jr.; Zapf, Vivien] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. RP Franco, A (reprint author), Univ Catolica Goias, Dept Matemat & Fis, Caixa Postal 86, BR-74605010 Goiania, Go, Brazil. EM Franco@ucg.br RI Zapf, Vivien/K-5645-2013; Franco Jr, Adolfo/L-3515-2014 OI Zapf, Vivien/0000-0002-8375-4515; Franco Jr, Adolfo/0000-0001-6428-6640 NR 23 TC 45 Z9 45 U1 1 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-8853 J9 J MAGN MAGN MATER JI J. Magn. Magn. Mater. PD MAR PY 2008 VL 320 IS 5 BP 709 EP 713 DI 10.1016/j.jmmm.2007.08.009 PG 5 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 259RR UT WOS:000252956900020 ER PT J AU Sefat, AS Bud'ko, SL Canfield, PC AF Sefat, Athena S. Bud'ko, Sergey L. Canfield, Paul C. TI Magnetic properties of off-stoichiometric R2Co3Zn14 (R = Y, Gd) single crystals SO JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS LA English DT Article DE zincide; flux growth; magnetic anisotropy; heat capacity; magnetization; single crystal X-ray; resistivity ID LA-ND; GROWTH; FE; TM; CO; SM AB Single crystal X-ray diffraction data indicate that the R2Co3Zn14 (R = Gd, Y) phase crystallizes non-stoichiometrically with a mixed occupancy of Co/Zn atoms on the 12-coordinated transition metal site and one of the three zinc sites. The crystals are rhombohedral with R-3m space group. Magnetization measurements provide no evidence of localized 3d electron moment in Y2Co2.3Zn14.7 which is nonmagnetic down to 1.8 K. Thermodynamic and transport measurements on two Gd2Co3+xZn14-x crystals reveal that the extra cobalt influences temperature below which the samples enter into an antiferromagnetic state: T-N 31.5(3) K for Gd2Co3Zn14 and 28(1) K for Gd2Co4.2Zn12.8. A lower magnetic ordering temperature of T-mag 6.0(2) K is common in both Gd samples. Published by Elsevier B. V. C1 [Sefat, Athena S.; Bud'ko, Sergey L.; Canfield, Paul C.] Iowa State Univ, Ames Lab, Dept Phys & Astron, Ames, IA 50011 USA. RP Sefat, AS (reprint author), Iowa State Univ, Ames Lab, Dept Phys & Astron, Ames, IA 50011 USA. EM asefat@ameslab.gov RI Canfield, Paul/H-2698-2014; Sefat, Athena/R-5457-2016 OI Sefat, Athena/0000-0002-5596-3504 NR 17 TC 0 Z9 0 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-8853 J9 J MAGN MAGN MATER JI J. Magn. Magn. Mater. PD MAR PY 2008 VL 320 IS 6 BP 1035 EP 1042 DI 10.1016/j.jmmm.2007.10.015 PG 8 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 280HJ UT WOS:000254416300042 ER PT J AU Devanathan, R Weber, WJ AF Devanathan, Ram Weber, William J. TI Dynamic annealing of defects in irradiated zirconia-based ceramics SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID YTTRIA-STABILIZED ZIRCONIA; MOLECULAR-DYNAMICS; RADIATION TOLERANCE; SIMULATION; DAMAGE; IMMOBILIZATION; ACTINIDES; PLUTONIUM; OXIDES AB We have observed efficient damage recovery in large-scale molecular dynamics simulations of 30 keV Zr recoils in pure zirconia and yttria-stabilized zirconia, which is in stark contrast to radiation damage accumulation in zircon. Dynamic annealing is highly effective in zirconia during the first 5 ps of damage evolution, especially in the presence of oxygen structural vacancies. This results in near-complete recovery of damage. Damage recovery on the cation sublattice is assisted by the anion sublattice recovery, which explains the remarkable radiation tolerance of stabilized zirconia. Ceramics engineered to heal themselves in this fashion hold great promise for use in high-radiation environments or for safely encapsulating high-level radioactive waste over geological time scales. C1 [Devanathan, Ram] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. RP Devanathan, R (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. EM ram.devanathan@pnl.gov RI Weber, William/A-4177-2008; Devanathan, Ram/C-7247-2008 OI Weber, William/0000-0002-9017-7365; Devanathan, Ram/0000-0001-8125-4237 NR 17 TC 15 Z9 15 U1 0 U2 7 PU MATERIALS RESEARCH SOC PI WARRENDALE PA 506 KEYSTONE DR, WARRENDALE, PA 15086 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD MAR PY 2008 VL 23 IS 3 BP 593 EP 597 DI 10.1557/JMR.2008.0104 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA 272QQ UT WOS:000253875000001 ER PT J AU Zhou, XW Zimmerman, JA Wong, BM Hoyt, JJ AF Zhou, X. W. Zimmerman, J. A. Wong, B. M. Hoyt, J. J. TI An embedded-atom method interatomic potential for Pd-H alloys SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID PALLADIUM HYDRIDE; ELASTIC-CONSTANTS; TRANSITION-METALS; HYDROGEN; TRITIUM; PRESSURE; HELIUM; MODELS AB Palladium hydrides have important applications. However, the complex Pd-H alloy system presents a formidable challenge to developing accurate computational models. In particular, the separation of a Pd-H system to dilute (alpha) and concentrated (beta) phases is a central phenomenon, but the capability of interatomic potentials to display this phase miscibility gap has been lacking. We have extended an existing palladium embedded-atom method potential to construct a new Pd-H embedded-atom method potential by normalizing the elemental embedding energy and electron density functions. The developed Pd-H potential reasonably well predicts the lattice constants, cohesive energies, and elastic constants for palladium, hydrogen, and PdHx phases with a variety of compositions. It ensures the correct hydrogen interstitial sites within the hydrides and predicts the phase miscibility gap. Preliminary molecular dynamics simulations using this potential show the Correct phase stability, hydrogen diffusion mechanism, and mechanical response of the Pd-H system. C1 [Zhou, X. W.] Sandia Natl Labs, Mech Mat Dept, Livermore, CA 94550 USA. [Wong, B. M.] Sandia Natl Labs, Dept Chem Mat, Livermore, CA 94550 USA. [Hoyt, J. J.] McMaster Univ, Dept Mat Sci & Engn, Hamilton, ON L8S 4L7, Canada. RP Zhou, XW (reprint author), Sandia Natl Labs, Mech Mat Dept, Livermore, CA 94550 USA. EM xzhou@sandia.gov RI Wong, Bryan/B-1663-2009; Zimmerman, Jonathan/A-8019-2012 OI Wong, Bryan/0000-0002-3477-8043; NR 45 TC 30 Z9 31 U1 2 U2 30 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0884-2914 EI 2044-5326 J9 J MATER RES JI J. Mater. Res. PD MAR PY 2008 VL 23 IS 3 BP 704 EP 718 DI 10.1557/JMR.2008.0090 PG 15 WC Materials Science, Multidisciplinary SC Materials Science GA 272QQ UT WOS:000253875000013 ER PT J AU Bhuiyan, MS Taylor, BJ Paranthaman, M Thompson, JR Sinclair, JW AF Bhuiyan, M. S. Taylor, B. J. Paranthaman, M. Thompson, J. R. Sinclair, J. W. TI Microstructure and magnetic properties of electrodeposited cobalt films SO JOURNAL OF MATERIALS SCIENCE LA English DT Article ID ALLOYS; CO; FE; NI AB Cobalt films were electrodeposited onto both iron and copper substrates from an aqueous solution containing a mixture of cobalt sulfate, boric acid, sodium citrate, and vanadyl sulfate. The structural, intermetallic diffusion and magnetic properties of the electrodeposited films were studied. Cobalt electrodeposition was carried out in a passively divided cell aided by addition of vanadyl sulfate to keep the counter electrode clean. The divided electrolytic cell with very negative current densities cause the electrodeposited Co to adopt a face-centered cubic (fcc) structure, which is more magnetically reversible than the hexagonally close-packed (hcp) structured Co. The coercive field is also significantly less in the fcc-electrodeposited cobalt than in the hcp. SEM images show dense, uniform Co films without any cracks or porosity. Beside the deposition current, thickness of the film was also found to affect the crystal orientation particularly on iron substrates. Diffusion of cobalt film into the iron substrate was studied under reduced environment and a fast process was observed. C1 [Bhuiyan, M. S.; Taylor, B. J.; Paranthaman, M.] Oak Ridge Natl Lab, Div Chem Sci, Mat Chem Grp, Oak Ridge, TN 37831 USA. [Taylor, B. J.] Tennessee Technol Univ, Cookeville, TN 38505 USA. [Thompson, J. R.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Thompson, J. R.; Sinclair, J. W.] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. RP Paranthaman, M (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Mat Chem Grp, Oak Ridge, TN 37831 USA. EM paranthamanm@ornl.gov RI Sinclair, John/E-7692-2011; Taylor, Benjamin/J-5900-2012; Paranthaman, Mariappan/N-3866-2015 OI Paranthaman, Mariappan/0000-0003-3009-8531 NR 20 TC 21 Z9 21 U1 1 U2 13 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2461 J9 J MATER SCI JI J. Mater. Sci. PD MAR PY 2008 VL 43 IS 5 BP 1644 EP 1649 DI 10.1007/s10853-007-2383-2 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA 255AI UT WOS:000252628700023 ER PT J AU Hovis, DB Faber, KT Kenik, EA AF Hovis, D. B. Faber, K. T. Kenik, E. A. TI Texture and microstructural development in gelcast barium hexaferrite SO JOURNAL OF MATERIALS SCIENCE LA English DT Article ID TEMPLATED GRAIN-GROWTH; FERRITE; CERAMICS; ALUMINA; HETEROGENEITY; BAFE12O19 AB The development of texture in barium hexaferrite by templated grain growth was studied as a function of the Fe(2)O(3)/BaCO(3) ratio, B(2)O(3) additions in the starting materials, and sintering temperature. A magnetic field was used to orient the template particles during the gelcasting process. Excess BaCO(3) resulted in abnormal grain growth and maximized texture, while B(2)O(3) additions promoted coarsening, but no abnormal grain growth. C1 [Hovis, D. B.; Faber, K. T.] Northwestern Univ, Robert R McCormick Sch Engn & Appl Sci, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Kenik, E. A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN USA. RP Faber, KT (reprint author), Northwestern Univ, Robert R McCormick Sch Engn & Appl Sci, Dept Mat Sci & Engn, Evanston, IL 60208 USA. EM k-faber@northwestern.edu RI Faber, Katherine/B-6741-2009 NR 27 TC 6 Z9 6 U1 1 U2 12 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2461 J9 J MATER SCI JI J. Mater. Sci. PD MAR PY 2008 VL 43 IS 6 BP 1836 EP 1843 DI 10.1007/s10853-007-2375-2 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA 261AE UT WOS:000253050700011 ER PT J AU de Sousa, R Moore, JE AF de Sousa, Rogerio Moore, Joel E. TI Multiferroic materials for spin-based logic devices SO JOURNAL OF NANOELECTRONICS AND OPTOELECTRONICS LA English DT Article DE logical devices; multiferroic magnetoelectrics; spin-wave injection; Landau theory ID THIN-FILMS; BIFEO3; DEPENDENCE; WAVE AB Logical devices based on spin waves offer the potential to avoid dissipation mechanisms that limit devices based on either the charge or spin of mobile electrons. Multiferroic magnetoelectrics, which are materials that combine ferroelectric and magnetic order, allow direct switching of magnetic order and thence of spin-wave properties using an applied electric field. The intrinsic coupling between polarization and magnetic moments, generated by strong electronic correlations in these multiferroic materials, is argued to provide new approaches to spin-wave injection and spin-wave switching using applied voltages with no external magnetic field. These effects are shown to arise in a phenomenological Landau theory of coupled electronic and magnetic orders in multiferroic BiFeO(3), and found to depend subtly on differences between the crystalline and film states of this material. C1 [de Sousa, Rogerio; Moore, Joel E.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Moore, Joel E.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP de Sousa, R (reprint author), Univ Victoria, Dept Phys & Astron, POB 3055, Victoria, BC V8W 3P6, Canada. RI de Sousa, Rogerio/C-1078-2008; Moore, Joel/O-4959-2016 OI de Sousa, Rogerio/0000-0003-4258-270X; Moore, Joel/0000-0002-4294-5761 NR 22 TC 6 Z9 6 U1 0 U2 5 PU AMER SCIENTIFIC PUBLISHERS PI STEVENSON RANCH PA 25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA SN 1555-130X J9 J NANOELECTRON OPTOE JI J. Nanoelectron. Optoelectron. PD MAR PY 2008 VL 3 IS 1 BP 77 EP 81 DI 10.1166/jno.2008.008 PG 5 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 296MH UT WOS:000255548200011 ER PT J AU Chen, XY Liu, LQ Liu, GK AF Chen, Xueyuan Liu, Liqin Liu, Guokui TI Recent progress on the spectroscopy of rare earth ions in core-shells, nanowires, nanotubes, and other novel nanostructures SO JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY LA English DT Review DE rare earth; optical spectroscopy; luminescence; excited state dynamics; nanocrystals ID UP-CONVERSION LUMINESCENCE; SOL-GEL SYNTHESIS; DOPED NAYF4 NANOCRYSTALS; OPTICAL-PROPERTIES; PHOTOLUMINESCENT PROPERTIES; CORE/SHELL NANOPARTICLES; SONOCHEMICAL PREPARATION; ALUMINA NANOPARTICLES; LANTHANIDE IONS; ENERGY-TRANSFER AB Research and development of nanoscale luminescent and laser materials are part of the rapidly advancing nanoscience and nanotechnology. Because of unique spectroscopic properties and luminescent dynamics of f-electron states, doping luminescent rare earth ions into nano-hosts has been demonstrated as an optimistic approach to developing highly efficient and stable nanophosphors for various applications. In this article, we review the most recent progress in spectroscopic measurements of rare earth ion-activated low-dimensional nanostructures including nanolayers, core-shells, nanowires, nanotubes, and nanodisks. Among a large volume of work reported in the literature on many members of the rare earth series including Ce(3+), Pr(3+), Nd(3+), Eu(3+), and Er(3+), we focus on recent findings in the spectroscopic and luminescence properties of Eu(3+) doped nanolayers, core-shells, and nanotubes, because Eu(3+) ions have been extensively studied and widely used as an ideal probe for fundamental understanding of nano-phenomena. Specifically, the dependence of the optical properties of rare earth ions on nanostructures is discussed in detail. C1 [Chen, Xueyuan; Liu, Liqin] Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Peoples R China. [Chen, Xueyuan; Liu, Liqin] Chinese Acad Sci, Fujian Inst Res Struct Matter, Key Lab Optoelect Mat Chem & Phys, Fuzhou 350002, Peoples R China. [Liu, Guokui] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Chen, XY (reprint author), Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Peoples R China. RI Chen, Xueyuan/C-5613-2012 OI Chen, Xueyuan/0000-0003-0493-839X NR 75 TC 16 Z9 17 U1 8 U2 63 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 MAR PY 2008 VL 8 IS 3 BP 1126 EP 1137 DI 10.1166/jnn.2008.306 PG 12 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 282AT UT WOS:000254540700008 PM 18468112 ER PT J AU Bellvert, J Crombie, K Horgan, FG AF Bellvert, Joaquim Crombie, Kieran Horgan, Finbarr G. TI Comparative efficiency of the Fenwick can and Schuiling centrifuge in extracting nematode cysts from different soil types SO JOURNAL OF NEMATOLOGY LA English DT Article DE Fenwick can; potato cyst nematode; Globodera rostochiensis; Schuiling centrifuge; soil monitoring; method; statutory testing AB The Fenwick can and Schuiling centrifuge are widely used to extract nematode cysts from soil samples. The comparative efficiencies of these two methods during cyst extraction have not been determined for different soil types under different cyst densities. Such information is vital for statutory laboratories that must choose a method for routine, high-throughput soil monitoring. In this study, samples of different soil types seeded with varying densities of potato cyst nematode (Globodera rostochiensis) cysts were processed using both methods. In one experiment, with 200 ml samples, recovery was similar between methods. In a second extraction efficiency was similar across all densities tested. Extraction was efficient from pure sand (Fenwick 72%, Schuiling 84%) and naturally sandy soils (Fenwick 62%, Schuiling 73%), but was significantly less efficient from clay-soil (Fenwick 42%, Schuiling 44%) and peat-soil with high organic matter content (Fenwick 35%, Schuiling 33%). Residual moisture (<10% w/w) in samples prior to analyses reduced extraction efficiency, particularly for sand and sandy soils. For each soil type and method, there where significant linear relationships between the number of cysts extracted and the numbers of cysts in the samples. We discuss the advantages and disadvantages of each extraction methods for cyst extraction in statutory soil laboratories. C1 [Bellvert, Joaquim; Crombie, Kieran; Horgan, Finbarr G.] Oak Pk Res Ctr, Carlow Co, TEAGASC, Agri Res & Advisory Author, Carlow, Ireland. RP Bellvert, J (reprint author), IRTA, Ave Alcalde Rovira & Roure 191, Lleida 25198, Cataluna, Spain. EM finbarr.horgan@teagasc.ie FU Irish Department of Agriculture and Fisheries [Teagase-RMIS 5380] FX Funding for this study was provided by the Irish Department of Agriculture and Fisheries its part of the statutory PCN monitoring program (Teagase-RMIS 5380);J Bellvert was funded through a Leonardo da Vinci education and graining grant for transnational mobility. NR 14 TC 2 Z9 3 U1 1 U2 12 PU SOC NEMATOLOGISTS PI MARCELINE PA PO BOX 311, MARCELINE, MO 64658 USA SN 0022-300X J9 J NEMATOL JI J. Nematol. PD MAR PY 2008 VL 40 IS 1 BP 30 EP 34 PG 5 WC Zoology SC Zoology GA 342QX UT WOS:000258799700006 PM 19259516 ER PT J AU Nankawa, T Suzuki, Y Ozaki, T Francis, AJ Ohnuki, T AF Nankawa, Takuya Suzuki, Yoshinori Ozaki, Takuo Francis, Arokiasamy J. Ohnuki, Toshihiko TI Sorption of U(VI) on the 4-mercaptopyridine self-assembled monolayer SO JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY LA English DT Article DE self-assembled monolayer; uranium; sorption; reduction current; acetate; oxalate ID CALIXARENE-BASED URANOPHILES; THIOL-COVERED GOLD; METAL-DEPOSITION; ELECTRODES; COMPLEXES; URANIUM; ELECTROCHEMISTRY; ADSORPTION; EXTRACTION; DATABASE AB The sorption of U(VI) on the 4-mercaptopyridine self-assembled monolayer (4-PyS-SAM) on Au(111) was studied by cyclic voltammetry. Cyclic voltammograms (CVs) of the 4-PyS-SAM working electrode were obtained by contact with 1 mM UO2(NO3)(2) solution, 1 mM UO2(NO3)(2) and 50 MM acetic acid solution, or 1 mM UO2(NO3)(2) and 50 mM oxalic acid solution for 6 h at pH 4. The reduction current of U(VI) to U(V) was detected in the CV. The CV of the U(VI) associated 4-PyS-SAM after transport to U(VI)-free 0.1 M NaClO4 solution showed that the reduction current was detected in the cases of UO2(NO3)(2) and U(VI)-acetate, but not in the case of U(VI)-oxalate solution, indicating that U(VI) was adsorbed on the 4-PyS-SAM from the UO2(NO3)(2) and U(VI)-acetate solutions, but not from U(VI)-oxalate solution. These results suggest that stability of U(VI)-4-PyS-SAM is not so high that U(VI)-4-PyS-SAM cannot be formed in the presence of 50 mM oxalate. C1 [Nankawa, Takuya; Suzuki, Yoshinori; Ozaki, Takuo; Ohnuki, Toshihiko] Japan Atom Energy Agcy, Adv Sci Res Ctr, Ibaraki 3191195, Japan. [Francis, Arokiasamy J.] Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. RP Ohnuki, T (reprint author), Japan Atom Energy Agcy, Adv Sci Res Ctr, Ibaraki 3191195, Japan. EM ohnuki.toshihiko@jaea.go.jp NR 30 TC 2 Z9 2 U1 1 U2 10 PU ATOMIC ENERGY SOC JAPAN PI TOKYO PA 1-1-13 SHIMBASHI MINATO-KU, TOKYO, 105, JAPAN SN 0022-3131 J9 J NUCL SCI TECHNOL JI J. Nucl. Sci. Technol. PD MAR PY 2008 VL 45 IS 3 BP 251 EP 256 DI 10.3327/jnst.45.251 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 287SH UT WOS:000254936300007 ER PT J AU Angelici, RJ AF Angelici, Robert J. TI Organometallic chemistry and catalysis on gold metal surfaces SO JOURNAL OF ORGANOMETALLIC CHEMISTRY LA English DT Article; Proceedings Paper CT Symposium on Frontiers in Organometallic Chemistry held at the 234th National Meeting of the American-Chemical-Society CY AUG 19-23, 2007 CL Boston, MA SP Amer Chem Soc DE isocyanides; carbon monoxide; carbenes; oxidation; dehydrogenation; gold ID NON-NANOGOLD CATALYSIS; SECONDARY-AMINES; CARBENE COMPLEXES; CARBON-MONOXIDE; ISOCYANIDE LIGANDS; ALKYL ISOCYANIDES; HYDROGEN-PEROXIDE; AEROBIC OXIDATION; POWDERED GOLD; PALLADIUM(II) AB As in transition metal complexes, C N-R ligands adsorbed on powdered gold undergo attack by amines to give putative diamino-carbene groups on the gold surface. This reaction forms the basis for the discovery of a gold metal-catalyzed reaction of C N-R, primary amines (R'NH2) and O-2 to give carbodiimides (R'-N=C=N-R). An analogous reaction of C O, RNH2, and O-2 gives isocyanates (R-N=C=O), which react with additional amine to give urea (RNH)(2)C=O products. The gold-catalyzed reaction of C N-R with secondary amines (HNR'(2)) and O-2 gives mixed ureas RNH(C O)NR'(2). In another type of gold-catalyzed reaction, secondary amines HN(CH2R)(2) react with O-2 to undergo dehydrogenation to the imine product, RCH=N(CH2R). Of special interest is the high catalytic activity of gold powder, which is otherwise well-known for its poor catalytic properties. (C) 2007 Elsevier B.V. All rights reserved. C1 [Angelici, Robert J.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Angelici, Robert J.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Angelici, RJ (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM angelici@iastate.edu NR 54 TC 45 Z9 45 U1 1 U2 11 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0022-328X EI 1872-8561 J9 J ORGANOMET CHEM JI J. Organomet. Chem. PD MAR 1 PY 2008 VL 693 IS 5 BP 847 EP 856 DI 10.1016/j.jorganchem.2007.11.023 PG 10 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA 280EY UT WOS:000254409300007 ER PT J AU Wu, JW Jiang, YL Johnson, C Liu, XB AF Wu, Junwei Jiang, Yinglu Johnson, Christopher Liu, Xingbo TI DC electrodeposition of Mn-Co alloys on stainless steels for SOFC interconnect application SO JOURNAL OF POWER SOURCES LA English DT Article DE interconnect; manganese; cobalt; SOFC; electrodeposition ID SPINEL PROTECTION LAYERS; OXIDE FUEL-CELLS; CHROMIUM VAPORIZATION; COATINGS; COBALT; PERFORMANCE AB High conductivity coatings that resist oxide scale growth and reduce chromium evaporation are needed to make stainless steel interconnect materials viable for long-term stable operation of solid oxide fuel cells (SOFC). Mn1.5Co1.5O4 spinel is one of the most promising coatings for interconnect application because of its high conductivity, good chromium retention capability, as well as good CTE match to ferritic stainless steels. Mn-Co electrodeposition followed by oxidization is potentially a low cost method for fabrication of (Mn,Co)(3)O-4 spinel coatings. This work looks at the co-deposition of Mn-Co alloys for this application. As a guide to optimize the deposition process, characterizations of the cathodic reactions and reaction potentials are done using polarization curves. It was found that as cobalt concentration was varied that the alloy composition became richer in cobalt, indicating that the deposition is regular co-deposition. process. It was also found that at 0.05 M Co concentration in excess gluconate the Mn-Co alloys composition could be tuned by varying the current density. Coatings with Mn-Co around 1: 1 could be obtained at a current density of 250 mA/cm(2). However, the higher potential increased hydrogen production making the films more porous. Oxidation of the alloy coatings showed that much of the porosities could be eliminated during oxidation. It was found in a number of samples that fully dense coatings where obtained. The composition of the oxidized coating was found to become enriched in Mn, possibly due to the Mn fast diffusion from the substrate. (C) 2007 Elsevier B.V. All rights reserved. C1 [Wu, Junwei; Jiang, Yinglu; Liu, Xingbo] W Virginia Univ, Dept Aerosp & Mech Engn, Morgantown, WV 26506 USA. [Johnson, Christopher] Dept Energy, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Liu, XB (reprint author), W Virginia Univ, Dept Aerosp & Mech Engn, Morgantown, WV 26506 USA. EM xingbo.liu@mail.wvu.edu NR 24 TC 56 Z9 58 U1 7 U2 39 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 MAR 1 PY 2008 VL 177 IS 2 BP 376 EP 385 DI 10.1016/j.jpowsour.2007.11.075 PG 10 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 272QE UT WOS:000253873700017 ER PT J AU Shin, JH Cairns, EJ AF Shin, Joon Ho Cairns, Elton J. TI N-Methyl-(n-butyl)pyrrolidinium bis(trifluoromethanesulfonyl)imide-LiTFSI-poly(ethylene glycol) dimethyl ether mixture as a Li/S cell electrolyte SO JOURNAL OF POWER SOURCES LA English DT Article DE lithium cells; lithium/sulfur cells; ionic liquids; lithium batteries; lithium electrodes ID IONIC LIQUID ELECTROLYTES; POLYMER ELECTROLYTES; ELECTROCHEMICAL PROPERTIES; SULFUR CATHODE; LITHIUM; TEMPERATURE; BATTERY; SOLVENT; PERFORMANCE; SALT AB We have characterized a ternary mixture of N-methyl-(n-butyl)pyrrolidinium bis(ttifluoromethanesulfonyl)imide (PYR(14)TFSI)+0.5M LiTFSI+ypoly(ethylene glycol) dimethyl ether (PEGDME) (y=kg PEGDME/kg PYR(14)TFSI) as an electrolyte in Li metal/S cells. The presence of PYR14TFSI in the mixture resulted in a significant improvement of the thermal stability and the ionic conductivity (sigma) of the mixture with increasing PEGDME contents (for example, sigma =4.2 x 10(-3) S cm(-1) at 29 degrees C for y = 2.0). These improvements are most significant at low temperatures, which is probably due to a lowering of the viscosity of the mixture with higher amounts of PEGDME. It is found that the mixture has good compatibility with respect to Li metal as demonstrated by time-dependent interfacial impedance and galvanostatic Li stripping/deposition measurements. We found that a Li/S cell with PYR(14)TFSI + 0.5 M LiTFSI + y PEGDME (y = 2.0) can deliver about 1300 mAh g(-1)-sulfur at 0.054 mA cm(-2) at ambient temperature at the first cycle. A better charge/discharge cyclability of the Li/S cell in PYR(14)TFSI + 0.5 M LiTFSI + y PEGDME was found at higher PEGDME contents, and a Li/S cell with the mixture having y = 2.0 exhibited a capacity fading rate of 0.42% per cycle over 100 cycles at 0.054 mA cm(-2) at 40 degrees C. Consequently the PYR(14)TFSI + LiTFSI + PEGDME mixture is a promising electrolyte for Li/S cells. (C) 2007 Elsevier B.V. All rights reserved. C1 [Cairns, Elton J.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Shin, Joon Ho; Cairns, Elton J.] Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Cairns, EJ (reprint author), Univ Calif Berkeley, Dept Chem Engn, 201 GilmanHall, Berkeley, CA 94720 USA. EM ejcairns@lbl.gov RI Cairns, Elton/E-8873-2012 OI Cairns, Elton/0000-0002-1179-7591 NR 36 TC 114 Z9 116 U1 9 U2 133 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 MAR 1 PY 2008 VL 177 IS 2 BP 537 EP 545 DI 10.1016/j.jpowsour.2007.11.043 PG 9 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 272QE UT WOS:000253873700036 ER PT J AU Daly, DS Anderson, KK Panisko, EA Purvine, SO Fang, R Monroe, ME Baker, SE AF Daly, D. S. Anderson, K. K. Panisko, E. A. Purvine, S. O. Fang, R. Monroe, M. E. Baker, S. E. TI Mixed-effects statistical model for comparative LC-MS proteomics studies SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE mixed effect statistical model; LC-MS ID TANDEM MASS-SPECTROMETRY; CODED AFFINITY TAGS; LIQUID-CHROMATOGRAPHY; PROTEIN IDENTIFICATION; QUANTIFICATION; MIXTURES; QUANTITATION; TECHNOLOGY AB Comparing a protein's concentrations across two or more treatments is the focus of many proteomics studies. A frequent source of measurements for these comparisons is a mass spectrometry (MS) analysis of a protein's peptide ions separated by liquid chromatography (LC) following its enzymatic digestion. Alas, LC-MS identification and quantification of equimolar peptides can vary significantly due to their unequal digestion, separation, and ionization. This unequal measurability of peptides, the largest source of LC-MS nuisance variation, stymies confident comparison of a protein's concentration across treatments. Our objective is to introduce a mixed-effects statistical model for comparative LC-MS proteomics studies. We describe LC-MS peptide abundance with a linear model featuring pivotal terms that account for unequal peptide LC-MS measurability. We advance fitting this model to an often incomplete LC-MS data set with REstricted Maximum Likelihood (REML) estimation, producing estimates of model goodness-of-fit, treatment effects, standard errors, confidence intervals, and protein relative concentrations. We illustrate the model with an experiment featuring a known dilution series of a filamentous ascomycete fungus Trichoderma reesei protein mixture. For 781 of the 1546 T. reesei proteins with sufficient data coverage, the fitted mixed-effects models capably described the LC-MS measurements. The LC-MS measurability terms effectively accounted for this major source of uncertainty. Ninety percent of the relative concentration estimates were within 0.5-fold of the true relative concentrations. Akin to the common ratio method, this model also produced biased estimates, albeit less biased. Bias decreased significantly, both absolutely and relative to the ratio method, as the number of observed peptides per protein increased. Mixed-effects statistical modeling offers a flexible, well-established methodology for comparative proteomics studies integrating common experimental designs with LC-MS sample processing plans. It favorably accounts for the unequal LC-MS measurability of peptides and produces informative quantitative comparisons of a protein's concentration across treatments with objective measures of uncertainties. C1 [Daly, D. S.; Anderson, K. K.; Panisko, E. A.; Purvine, S. O.; Monroe, M. E.; Baker, S. E.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Fang, R.] CALTECH, Beckman Inst, Pasadena, CA 91125 USA. RP Daly, DS (reprint author), Pacific NW Natl Lab, 900 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM ds.daly@pnl.gov OI Anderson, Kevin/0000-0001-5613-5893 NR 28 TC 26 Z9 26 U1 0 U2 10 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 MAR PY 2008 VL 7 IS 3 BP 1209 EP 1217 DI 10.1021/pr070441i PG 9 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 271YR UT WOS:000253825100034 PM 18251496 ER PT J AU Lahoda, KG Engelmann, MD Farmer, OT Ballou, NE AF Lahoda, K. G. Engelmann, M. D. Farmer, O. T. Ballou, N. E. TI Recovery and determination of adsorbed technetium on Savannah River Site charcoal stack samples SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article ID PLASMA-MASS-SPECTROMETRY; ISOTOPE-DILUTION; TC-99 AB Experimental results are provided for the sample analyses for technetium in charcoal samples placed in-line with a Savannah River Site (SRS) processing stack effluent stream as a part of an environmental surveillance program. The method for Tc removal from charcoal was based on that originally developed with high purity charcoal. Presented is the process that allowed for the quantitative analysis of Tc-99 in SRS charcoal stack samples with and without Tc-97 as a tracer. The results obtained with the method using the Tc-97 tracer quantitatively confirm the results obtained with no tracer added. All samples contain Tc-99 at the pg.g(-1) level. C1 [Lahoda, K. G.; Engelmann, M. D.; Farmer, O. T.; Ballou, N. E.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lahoda, KG (reprint author), Pacific NW Natl Lab, POB 999,P8-50, Richland, WA 99352 USA. EM Mark.Engelmann@pnl.gov RI Engelhard, Mark/F-1317-2010 NR 14 TC 3 Z9 3 U1 0 U2 0 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD MAR PY 2008 VL 275 IS 3 BP 509 EP 513 DI 10.1007/s10967-007-6916-6 PG 5 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 278OS UT WOS:000254296800007 ER PT J AU Dewberry, RA Casella, VR Sigg, RA Salaymeh, SR Moore, FS Pak, DJ AF Dewberry, R. A. Casella, V. R. Sigg, R. A. Salaymeh, S. R. Moore, F. S. Pak, D. J. TI Holdup measurements for three visual examination and TRU remediation glovebox facilities at the Savannah River Site SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article AB Visual Examination (VE) gloveboxes are used to remediate transuranic waste (TRU) drums at three separate facilities at the Savannah River Site. Noncompliant items are removed before the drums undergo further characterization in preparation for shipment to the Waste Isolation Pilot Plant (WIPP). Maintaining the flow of drums through the remediation process is critical to the program's seven-days-per-week operation. Conservative assumptions are used to ensure that glovebox contamination from this continual operation is below acceptable limits. Holdup measurements using cooled HPGe spectrometers are performed in order to confirm that these assumptions are conservative. Pu-239 is the main nuclide of interest; however, Pu-241, equilibrium Np-237/Pa-233 and Pu-238 (if detected) are typically assayed. At the Savannah River National Laboratory (SRNL) facility Cm-243,Cm-244,Cm-245 are also generally observed and are always reported at either finite levels or at limits of detection. A complete assay at each of the three facilities includes a measure of TRU content in the gloveboxes and HEPA filters in the glovebox exhaust. This paper includes a description of the gamma-PHA acquisitions, of the modeling, and of the calculations of nuclide content. Because each of the remediation facilities is unique and ergonomically unfavorable to gamma-ray acquisitions, we have constructed custom detector support devices specific to each set of acquisitions. This paper includes a description and photographs of these custom devices. The description of modeling and calculations include determination and application of container and matrix photon energy dependent absorption factors and also determination and application of geometry factors relative to our detector calibration geometry. The paper also includes a discussion of our measurements' accuracy using off-line assays of two SRNL HEPA filters. The comparison includes assay of the filters inside of 55-gallon drums using the SRNL Q(2) assay system and separately using off-line assay with an acquisition configuration unique from the original in-situ acquisitions. C1 [Dewberry, R. A.; Casella, V. R.; Sigg, R. A.; Salaymeh, S. R.; Moore, F. S.; Pak, D. J.] Savannah River Natl Co, Aiken, SC 29808 USA. RP Dewberry, RA (reprint author), Savannah River Natl Co, Aiken, SC 29808 USA. EM raymond.dewberry@sml.doe.gov NR 12 TC 6 Z9 6 U1 0 U2 1 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD MAR PY 2008 VL 275 IS 3 BP 541 EP 554 DI 10.1007/s10967-007-7114-2 PG 14 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 278OS UT WOS:000254296800011 ER PT J AU Duff, MC Crurnp, SL Ray, RJ Cotham, WE LaMont, S Beals, D Mount, K Koons, RD Leggitt, J AF Duff, M. C. Crurnp, S. L. Ray, R. J. Cotham, W. E. LaMont, S. Beals, D. Mount, K. Koons, R. D. Leggitt, J. TI Solid phase microextraction sampling of high explosive residues in the presence of radionuclides and radionuclide surrogate metals SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article ID EXTRACTION; WATER AB The Federal Bureau of Investigation (FBI) Laboratory currently does not have on site facilities for handling radioactive evidentiary materials and there are no established FBI methods or procedures for decontaminating high explosive (HE) evidence while maintaining evidentiary value. One experimental method for the isolation of HE residue involves using solid phase microextraction (SPME) fibers to remove residue of interest. Due to their high affinity for organics, SPME fibers should have little affinity for most metals. However, no studies have measured the affinity of radionuclides for SPME fibers. The focus of this research was to examine the affinity of dissolved radionuclide ((239/240)Pu, (238)U, (237)Np, (85)Sr, (133)Ba, (137)Cs, (60)Co and (226)Ra) and stable radionuclide surrogate metals (Sr, Co, Ir, Re, Ni, Ba, Cs, Nb, Ru, and Nd) for SPME fibers at the exposure conditions that favor the uptake of HE residues. Our results from radiochemical and mass spectrometric analyses indicate these metals have little measurable affinity for these SPME fibers during conditions that are conducive to HE residue uptake with subsequent analysis by liquid or gas phase chromatography with mass spectrometric detection. C1 [Duff, M. C.; Crurnp, S. L.; Ray, R. J.; Beals, D.] Savannah River Natl Co SRNL, Aiken, SC 29808 USA. [Cotham, W. E.] Univ S Carolina, Dept Chem & Biochem, Columbia, SC 29208 USA. [LaMont, S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Mount, K.; Koons, R. D.; Leggitt, J.] Fed Bur Invest FBI, Lab Div, Quantico, VA 22135 USA. RP Duff, MC (reprint author), Savannah River Natl Co SRNL, Aiken, SC 29808 USA. EM martine.duff@sml.doe.gov NR 15 TC 5 Z9 5 U1 1 U2 5 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD MAR PY 2008 VL 275 IS 3 BP 579 EP 593 DI 10.1007/s10967-007-7116-0 PG 15 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 278OS UT WOS:000254296800015 ER PT J AU Wilk, PA Landrum, JH Shaughnessy, DA Kenneally, JM Stoyer, NJ Stoyer, MA Moody, KJ Aksenov, NV Bozhikov, GA Tereshatov, EE Vostokin, GK Shishkin, SV Dmitriev, SN AF Wilk, P. A. Landrum, J. H. Shaughnessy, D. A. Kenneally, J. M. Stoyer, N. J. Stoyer, M. A. Moody, K. J. Aksenov, N. V. Bozhikov, G. A. Tereshatov, E. E. Vostokin, G. K. Shishkin, S. V. Dmitriev, S. N. TI Separation of group five elements by reversed-phase chromatography SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article ID CHEMISTRY; SOLVENT; PA; TA; NB AB A chemical separation method based on reversed-phase chromatography has been developed to separate the group five elements from the reaction products produced in the bombardment of Am-243 with Ca-48 ions. Decontamination factors on the order of 10(6) were achieved for group-three elements such as americium, and 10(7) or more for selected reaction products as measured by gamma-ray spectrometry pre- and post-chemistry. Details of the chemical separation scheme are discussed and compared to previously reported results. C1 [Wilk, P. A.; Landrum, J. H.; Shaughnessy, D. A.; Kenneally, J. M.; Stoyer, N. J.; Stoyer, M. A.; Moody, K. J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Aksenov, N. V.; Bozhikov, G. A.; Tereshatov, E. E.; Vostokin, G. K.; Shishkin, S. V.; Dmitriev, S. N.] Joint Inst Nucl Res, Flerov Lab Nucl React, Dubna 141980, Moscow Region, Russia. RP Wilk, PA (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM WILK2@LLNL.GOV RI Wilk, Philip/B-5954-2008 NR 15 TC 4 Z9 4 U1 0 U2 5 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD MAR PY 2008 VL 275 IS 3 BP 651 EP 657 DI 10.1007/s10967-007-7127-x PG 7 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 278OS UT WOS:000254296800023 ER PT J AU Silver, GL AF Silver, G. L. TI Plutonium and intrinsic predominance-region diagrams SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article AB Four intrinsic predominance-region diagrams for aqueous plutonium are described. They are easily prepared from an existing diagram by changing the oxidation-state fractions on the axes of the diagram and renaming the predominance regions. Not all combinations of oxidation-state fractions can be used to prepare the diagrams. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Silver, GL (reprint author), Los Alamos Natl Lab, POB 1663,MS E517, Los Alamos, NM 87545 USA. EM gsilver@lanl.gov NR 4 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD MAR PY 2008 VL 275 IS 3 BP 671 EP 672 DI 10.1007/s10967-007-7024-3 PG 2 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 278OS UT WOS:000254296800026 ER PT J AU Wu, M Emge, TJ Huang, XY Li, J Zhang, Y AF Wu, Min Emge, Thomas J. Huang, Xiaoying Li, Jing Zhang, Yong TI Designing and tuning properties of a three-dimensional porous quaternary chalcogenide built on a bimetallic tetrahedral cluster [M4Sn3S13](5-) (M = Zn/Sn) SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE metal chalcogenide; semiconductor; open framework; bimetallic cluster; band gap; photoluminescence; multifunctionality ID CHANGE OPTICAL DISK; SUPERTETRAHEDRAL CLUSTERS; ELECTRONIC-PROPERTIES; BUILDING-BLOCKS; OPEN FRAMEWORKS; ION-EXCHANGE; ZN; CO; TECHNOLOGY; TERNARY AB A multifunctional three-dimensional quaternary chalcogenide [Na5Zn3.5Sn3.5S13], 6H(2)O has been synthesized by solvothermal reactions. [Na5Zn3.5Sn3.5S13].6H(2)O represents an interesting example of metal chalcogenides that combines semiconductivity, porosity, and light emission in a single structure. It crystallizes in the cubic space group Fm-3c, a = 17.8630(3) angstrom, V = 5699.85(17)angstrom(3), Z = 8. The compound decomposes at similar to 450 degrees C. A band gap of 2.9eV is estimated from the optical diffuse reflectance data. A strong photoluminescence peak is observed at 2.43 eV in Mn doped samples. The electronic and optical properties of this compound can be systematically tuned by substitution of metal and chalcogen elements. (C) 2008 Elsevier Inc. All rights reserved. C1 [Wu, Min; Emge, Thomas J.; Huang, Xiaoying; Li, Jing] State Univ New Jersey, Dept Chem & Chem Biol Rutgers, Piscataway, NJ 08854 USA. [Zhang, Yong] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Li, J (reprint author), State Univ New Jersey, Dept Chem & Chem Biol Rutgers, Piscataway, NJ 08854 USA. EM jingli@rci.rutgers.edu RI Huang, Xiao-Ying/E-9705-2011 OI Huang, Xiao-Ying/0000-0002-3514-216X NR 24 TC 19 Z9 19 U1 4 U2 25 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 MAR PY 2008 VL 181 IS 3 BP 415 EP 422 DI 10.1016/j.jssc.2007.12.035 PG 8 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA 273JB UT WOS:000253925100004 ER PT J AU Bray, TH Skanthakumar, S Soderholm, L Sykora, RE Haire, RG Albrecht-Schmitt, TE AF Bray, Travis H. Skanthakumar, S. Soderholm, L. Sykora, Richard E. Haire, Richard G. Albrecht-Schmitt, Thomas E. TI Hydrothermal synthesis, structure, and magnetic properties of Pu(SeO3)(2) SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE plutonium selenite; plutonium magnetism; plutonium crystal structure ID BOND-VALENCE PARAMETERS; PLUTONIUM; IODATES; SUSCEPTIBILITIES; NEPTUNIUM; ELECTRON; URANIUM AB The reaction between PuO2 and SeO2 under mild hydrothermal conditions results in the formation of Pu(SeO3)(2) as brick-red prisms. This compound adopts the Ce(SeO3)(2) structure type, and consists of one-dimensional chains of edge-sharing [PuO8] distorted bicapped trigonal prisms linked by (SeO3) units into a three-dimensional network. Crystallographic data: Pu(SeO3)(2), monoclinic, space group P2(1)/n, a = 6.960(1)angstrom, b = 10.547(2)angstrom, c = 7.245(1)angstrom, beta = 106.880(9)degrees, V = 508.98(17) angstrom(3), Z = 4 (T = 193 K), R(F) = 2.92% for 83 parameters with 1140 reflections with 1>2 sigma(I). Magnetic susceptibility data for Pu(SeO3)(2) are linear from 35 to 320K and yield an effective moment of 2.71(5)mu(B) and a Weiss constant of -500(5) K. (C) 2008 Elsevier Inc. All rights reserved. C1 [Bray, Travis H.; Albrecht-Schmitt, Thomas E.] Auburn Univ, Dept Chem & Biochem, Auburn, AL 36849 USA. [Bray, Travis H.; Albrecht-Schmitt, Thomas E.] Auburn Univ, Ctr Actinide Sci, Auburn, AL 36849 USA. [Skanthakumar, S.; Soderholm, L.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. [Sykora, Richard E.] Univ S Alabama, Dept Chem, Mobile, AL 36688 USA. [Haire, Richard G.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Albrecht-Schmitt, TE (reprint author), Auburn Univ, Dept Chem & Biochem, Auburn, AL 36849 USA. EM albreth@auburn.edu NR 33 TC 11 Z9 11 U1 0 U2 13 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 MAR PY 2008 VL 181 IS 3 BP 493 EP 498 DI 10.1016/j.jssc.2007.12.020 PG 6 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA 273JB UT WOS:000253925100014 ER PT J AU Chmaissem, O Zheng, H Huq, A Stephens, PW Mitchell, JF AF Chmaissem, O. Zheng, H. Huq, A. Stephens, P. W. Mitchell, J. F. TI Formation of Co3+ octahedra and tetrahedra in YBaCo4O8.1 SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE YBaCo4O7; YBaCo4O8; RBaCo4O7; REBaCo4O7; Kagome lattice; triangular lattice; neutron diffraction; synchrotron x-ray diffraction; structure determination; Co3+ octahedra; zigzag chains; edge sharing Co octahedra ID MAGNETIC-PROPERTIES; TEMPERATURE; COBALT; YBACO4O7+DELTA; TRANSITION; STATE AB High-resolution neutron and synchrotron X-ray powder diffraction experiments were performed, at 300 and 10K, for the determination of the structure of YBaCo4O8.1, which was prepared by controlled oxidation of the Kagome lattice compound YBaCo4O7. Our diffraction data demonstrate that YBaCo4O8.1 crystallizes in the orthorhombic Pbc2(1) space group with the formation of a large superstructure (a = 12.790 angstrom, b = 10.845 angstrom, c = 10. 149 angstrom), with respect to the parent trigonal YBaCo4O7 material. The Co ions occupy both corner-sharing tetrahedral and edge-sharing octahedral sites, in contrast to YBaCo4O7, which has only corner-sharing tetrahedra. The octahedral sites form by the addition of two extra oxygen atoms and the drastic displacements of some of the original O atoms relative to the parent. The edge-sharing octahedra form isolated zigzag chains parallel to the c-axis linked to one another via tetrahedra. While found in a few phosphates, silicates and germanates, this motif appears unique to YBaCo4O8.1 among mixed-metal oxides. No structural phase transition or long range anti ferromagnetic ordering are observed at 10K. (C) 2008 Elsevier Inc. All rights reserved. C1 [Chmaissem, O.] No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. [Chmaissem, O.; Zheng, H.; Mitchell, J. F.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Huq, A.] Spallat Neutron Source, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. [Stephens, P. W.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. RP Chmaissem, O (reprint author), No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. EM chmaissem@anl.gov RI Huq, Ashfia/J-8772-2013 OI Huq, Ashfia/0000-0002-8445-9649 NR 38 TC 57 Z9 62 U1 0 U2 14 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 MAR PY 2008 VL 181 IS 3 BP 664 EP 672 DI 10.1016/j.jssc.2007.12.016 PG 9 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA 273JB UT WOS:000253925100037 ER PT J AU Miladinovic, J Ninkovic, R Todorovic, M Rard, JA AF Miladinovic, Jelena Ninkovic, Rozalija Todorovic, Milica Rard, Joseph A. TI Isopiestic investigation of the osmotic and activity coefficients of {yMgCl(2)+(1-y)MgSO4}(aq) and the osmotic coefficients of Na2SO4 center dot MgSO4(aq) at 298.15 K SO JOURNAL OF SOLUTION CHEMISTRY LA English DT Article DE isopiestic measurements; mixed electrolyte solutions; aqueous solutions; magnesium chloride; magnesium sulfate; sodium sulfate; extended Pitzer model ID MIXED ELECTROLYTE-SOLUTIONS; CHLORIDE-MAGNESIUM CHLORIDE; ION-INTERACTION PITZER; THERMODYNAMIC PROPERTIES; MINERAL SOLUBILITIES; CALCIUM-CHLORIDE; AQUEOUS MIXTURES; TERNARY-SYSTEM; NA-K-MG-CA-CL-SO4-H2O SYSTEM; POTASSIUM-CHLORIDE AB Isopiestic vapor-pressure measurements were made for {yMgCl(2) + (1-y)MgSO4}(aq) solutions with MgCl2 ionic strength fractions of y = (0,0.1997,0.3989,0.5992,0.8008, and 1) at the temperature 298.15 K, using KCl(aq) as the reference standard. These measurements for the mixtures cover the ionic strength range I=0.9794 to 9.4318 mol.kg(-1). In addition, isopiestic measurements were made with NaCl(aq) as reference standard for mixtures of {xNa(2)SO(4) + (1-x)MgSO4}(aq) with the molality fraction x = 0.5000 that correspond to solutions of the evaporite mineral bloedite (astrakanite), Na2Mg(SO4)(2).4H(2)O(cr). The total molalities, m (T)=m(Na2SO4) + m(MgSO4), range from m(T) = 1.4479 to 4.4312 mol.kg(-1) (I=5.0677 to 15.509 mol.kg(-1)), where the uppermost concentration is the highest oversaturation molality that could be achieved by isothermal evaporation of the solvent at 298.15 K. The parameters of an extended ion-interaction (Pitzer) model for MgCl2(aq) at 298.15 K, which were required for an analysis of the {yMgCl(2) + (1-y)MgSO4}(aq) mixture results, were evaluated up to I=12.075 mol.kg(-1) from published isopiestic data together with the six new osmotic coefficients obtained in this study. Osmotic coefficients of {yMgCl(2) + (1-y)MgSO4}(aq) solutions from the present study, along with critically-assessed values from previous studies, were used to evaluate the mixing parameters of the extended ion-interaction model. C1 [Miladinovic, Jelena; Ninkovic, Rozalija; Todorovic, Milica] Univ Belgrade, Fac Technol & Met, Dept Inorgan Chem Technol, Belgrade, Serbia. [Rard, Joseph A.] Lawrence Livermore Natl Lab, Energy & Environm Directorate, Livermore, CA 94550 USA. RP Miladinovic, J (reprint author), Univ Belgrade, Fac Technol & Met, Dept Inorgan Chem Technol, Karnegijeva 4, Belgrade, Serbia. EM duma@elab.tmf.bg.ac.yu; rard1@lln1.gov NR 50 TC 9 Z9 10 U1 0 U2 13 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 MAR PY 2008 VL 37 IS 3 BP 307 EP 329 DI 10.1007/s10953-007-9238-y PG 23 WC Chemistry, Physical SC Chemistry GA 259YI UT WOS:000252976400002 ER PT J AU Miller, DG AF Miller, Donald G. TI Activity coefficient derivatives of ternary systems based on Scatchard's neutral electrolyte description SO JOURNAL OF SOLUTION CHEMISTRY LA English DT Article DE ternary system; Scatchard Neutral Electrolyte description; activity coefficient derivatives; binary approximations; binary evaluation strategies ID ISOTHERMAL DIFFUSION-COEFFICIENTS; VECTOR TRANSPORT PROCESSES; SOLUTE CONCENTRATION RATIO; MIXING AQUEOUS ELECTROLYTES; ONSAGER RECIPROCAL RELATION; EXCESS FREE-ENERGY; ISOPIESTIC DETERMINATION; MAGNESIUM CHLORIDE; SODIUM-CHLORIDE; BINARY-MIXTURES AB Activity coefficient derivatives with respect to molality are presented for the Scatchard Neutral Electrolyte description of a ternary common-ion electrolyte system. These quantities are needed for the calculation of "diffusion Onsager coefficients" and in turn for tests of the Onsager Reciprocal Relations in diffusion. The usually-omitted b(23) term is included. The direct SNE binary approximations and a further approximation are discussed. Binary evaluation strategies other than constant ionic strength are considered. C1 Lawrence Livermore Natl Lab, Energy & Environm Directorate, Livermore, CA 94551 USA. EM don.miller9@comcast.net NR 57 TC 9 Z9 9 U1 1 U2 4 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 MAR PY 2008 VL 37 IS 3 BP 365 EP 375 DI 10.1007/s10953-007-9236-0 PG 11 WC Chemistry, Physical SC Chemistry GA 259YI UT WOS:000252976400005 ER PT J AU Kuntz, DW Potter, DL AF Kuntz, David W. Potter, Donald L. TI Boundary-layer transition and hypersonic flight testing SO JOURNAL OF SPACECRAFT AND ROCKETS LA English DT Article; Proceedings Paper CT AIAA 45th Aerospace Sciences Meeting and Exhibit CY JAN 08-11, 2007 CL Reno, NV SP Amer Inst Aeronaut & Astronaut ID PHOTODIODE AB Boundary-layer transition continues to be a critical factor in hypersonic fight vehicle design. Measurements of transition during hypersonic flight testing provide valuable data for the development and verification of transition-prediction techniques. A summary of transition-measurement techniques used on vehicles flown by Sandia National Laboratories is presented, including sample flight data to illustrate the type of transition indication obtained from each measurement technique. The Slender Hypervelocity Aerothermodynamic Research Probe, a ballistic vehicle flown by Sandia for NASA, is used as a case study to illustrate how transition is determined for a flight vehicle and to illustrate some of the difficulties associated with these types of measurements. C1 [Kuntz, David W.; Potter, Donald L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Kuntz, DW (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 8 TC 4 Z9 4 U1 4 U2 8 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 MAR-APR PY 2008 VL 45 IS 2 BP 184 EP 192 DI 10.2514/1.29708 PG 9 WC Engineering, Aerospace SC Engineering GA 285FE UT WOS:000254761900004 ER PT J AU Hall, LC Salazar, EP Kane, SR Liu, N AF Hall, Linda C. Salazar, Eddie P. Kane, Staci R. Liu, Nan TI Effects of thyroid hormones on human breast cancer cell proliferation SO JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY LA English DT Article DE thyroid hormone; breast cancer; cell proliferation; gene expression ID ESTROGEN RESPONSE ELEMENT; ACTIVATED PROTEIN-KINASE; RECEPTOR-ALPHA; TRANSCRIPTIONAL ACTIVATION; SERINE PHOSPHORYLATION; REPRODUCTIVE TISSUES; ER-ALPHA; BETA; PITUITARY; NUCLEAR AB The involvement of estrogens in breast cancer development and growth has been well established. However, the effects of thyroid hormones and their combined effects with estrogens are not well studied. We investigated the response of human breast cancer cells to thyroid hormone, particularly the role of T3 in mediating cell proliferation and gene expression. We demonstrated that 17 beta-estradiol (E2) or triiodothyronine (T3) promoted cell proliferation in a dose-dependent manner in both MCF-7 and T47-D cell lines. The E2- or T3-dependent cell proliferation was suppressed by co-administration of the ER antagonist ICI. We also demonstrated that T3 could enhance the effect of E2 on cell proliferation in T47-D cells. Using an estrogen response element (ERE)-mediated luciferase assay, we determined that T3 was able to induce the activation of ERE-mediated gene expression in MCF-7 cells, although the effects were much weaker than that induced by E2. These results suggest that T3 can promote breast cancer cell proliferation and increase the effect of E2 on cell proliferation in some breast cancer cell lines and thus that T3 may play a role in breast cancer development and progression. (C) 2008 Published by Elsevier Ltd. C1 [Salazar, Eddie P.; Liu, Nan] Lawrence Livermore Natl Lab, Biosci Directorate, Livermore, CA 94550 USA. [Hall, Linda C.; Kane, Staci R.] Lawrence Livermore Natl Lab, Safety & Environm Protect Directorate, Livermore, CA 94550 USA. RP Liu, N (reprint author), Appl Biosyst Inc, 850 Lincoln Ctr Dr, Foster City, CA 94404 USA. EM Nan.Liu@appliedbiosystems.com FU NCI NIH HHS [CA84407-01] NR 41 TC 49 Z9 52 U1 0 U2 0 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0960-0760 J9 J STEROID BIOCHEM JI J. Steroid Biochem. Mol. Biol. PD MAR PY 2008 VL 109 IS 1-2 BP 57 EP 66 DI 10.1016/j.jsbmb.2007.12.008 PG 10 WC Biochemistry & Molecular Biology; Endocrinology & Metabolism SC Biochemistry & Molecular Biology; Endocrinology & Metabolism GA 292YE UT WOS:000255301200008 PM 18328691 ER PT J AU Amat, F Moussavi, F Comolli, LR Elidan, G Downing, KH Horowitz, M AF Amat, Fernando Moussavi, Farshid Comolli, Luis R. Elidan, Gal Downing, Kenneth H. Horowitz, Mark TI Markov random field based automatic image alignment for electron tomography SO JOURNAL OF STRUCTURAL BIOLOGY LA English DT Article; Proceedings Paper CT 4th International Conference on Electron Tomography CY NOV 05-08, 2006 CL San Diego, CA DE cryo electron microscopy; correspondence; probabilistic inference; tomography; Markov random fields; alignment; projection model estimation ID TILT SERIES; RECONSTRUCTION; RESOLUTION; MARKERS AB We present a method for automatic full-precision alignment of the images in a tomographic tilt series. Full-precision automatic alignment of cryo electron microscopy images has remained a difficult challenge to date, due to the limited electron dose and low image contrast. These facts lead to poor signal to noise ratio (SNR) in the images, which causes automatic feature trackers to generate errors, even with high contrast gold particles as fiducial features. To enable fully automatic alignment for full-precision reconstructions, we frame the problem probabilistically as finding the most likely particle tracks given a set of noisy images, using contextual information to make the solution more robust to the noise in each image. To solve this maximum likelihood problem, we use Markov Random Fields (MRF) to establish the correspondence of features in alignment and robust optimization for projection model estimation. The resulting algorithm, called Robust Alignment and Projection Estimation for Tomographic Reconstruction, or RAPTOR, has not needed any manual intervention for the difficult datasets we have tried, and has provided sub-pixel alignment that is as good as the manual approach by an expert user. We are able to automatically map complete and partial marker trajectories and thus obtain highly accurate image alignment. Our method has been applied to challenging cryo electron tomographic datasets with low SNR from intact bacterial cells, as well as several plastic section and X-ray datasets. (C) 2007 Elsevier Inc. All rights reserved. C1 [Amat, Fernando; Moussavi, Farshid; Horowitz, Mark] Stanford Univ, Dept Elect Engn, Stanford, CA 94305 USA. [Comolli, Luis R.; Downing, Kenneth H.] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA USA. [Elidan, Gal] Lawrence Berkeley Natl Lab, Dept Comp Sci, Berkeley, CA USA. RP Horowitz, M (reprint author), Stanford Univ, Comp Syst Lab, Room 306,Gates Comp Sci Bldg,353 Serra Mall, Stanford, CA 94305 USA. RI Elidan, GAl/A-7380-2009 NR 26 TC 69 Z9 69 U1 0 U2 5 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1047-8477 J9 J STRUCT BIOL JI J. Struct. Biol. PD MAR PY 2008 VL 161 IS 3 BP 260 EP 275 DI 10.1016/j.jsb.2007.07.007 PG 16 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 279IO UT WOS:000254349100006 PM 17855124 ER PT J AU Harris, HH Vogt, S Eastgate, H Legnini, DG Hornberger, B Cai, Z Lai, B Lay, PA AF Harris, Hugh H. Vogt, Stefan Eastgate, Harold Legnini, Daniel G. Hornberger, Benjamin Cai, Zhonghou Lai, Barry Lay, Peter A. TI Migration of mercury from dental amalgam through human teeth SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE amalgam; dental restoration; mercury toxicity; X-ray fluorescence imaging; human teeth ID EXPOSURE; MICROPROBE AB Exposure to mercury from dental amalgams, with possible negative health effects, has generally been considered to occur via either erosion or evaporation directly from the surface of fillings, followed by ingestion. The aim of this study was to determine the relative importance of the direct migration of mercury through the tooth as an alternative exposure pathway. X-ray fluorescence imaging has been used to determine quantitatively the spatial distribution of Hg, Ca, Zn and Cu in sections of human teeth that had been filled with amalgam for more than 20 years. X-ray absorption near-edge spectroscopy (XANES) was also employed to gain chemical information on the mercury present in the teeth. Hg (up to similar to 10 mg g(-1)) and Zn (>100 mg g(-1)) were detected in the teeth several millimetres from the location of the amalgams. At high resolution, Hg showed higher concentrations in dentinal tubules while Zn was generally evenly distributed. XANES showed that the chemical form of Hg that had migrated into the tooth had been altered from that present in the amalgam. The differing spatial distributions of Hg and Zn suggest distinct transport mechanisms for the two metals, presumably chemical for Zn and initially physical for Hg. Subsequent oxidation of Hg may lead to a loss of mobility or the development of a secondary transport mechanism. Most importantly the detection of Hg in areas of the tooth that once contained an active bloodstream and in calculus indicates that both exposure pathways should be considered as significant. (C) 2008 International Union of Crystallography. C1 [Harris, Hugh H.; Lay, Peter A.] Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia. [Vogt, Stefan; Legnini, Daniel G.; Cai, Zhonghou; Lai, Barry] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Eastgate, Harold] Eastmac Pty Ltd, Knoxville, Vic 3180, Australia. [Hornberger, Benjamin] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. RP Harris, HH (reprint author), Univ Adelaide, Sch Chem & Phys, Adelaide, SA 5005, Australia. EM hugh.harris@adelaide.edu.au; p.lay@chem.usyd.edu.au RI Harris, Hugh/A-4983-2008; Lay, Peter/B-4698-2014; Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013; OI Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513; Lay, Peter/0000-0002-3232-2720; Harris, Hugh/0000-0002-3472-8628 NR 16 TC 22 Z9 23 U1 1 U2 13 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 MAR PY 2008 VL 15 BP 123 EP 128 DI 10.1107/S0909049507061468 PN 2 PG 6 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA 263VH UT WOS:000253244100001 PM 18296776 ER PT J AU Saha, S Wang, F MacNaughton, JB Moewes, A Chong, DP AF Saha, Saumitra Wang, Feng MacNaughton, Janay B. Moewes, Alex Chong, Denalo P. TI The attachment of amino fragment to purine: inner-shell structures and spectra SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE purine; adenine; inner-shell binding-energy spectra; Hirshfeld charge; condensed Fukui function ID ELECTRON BINDING-ENERGIES; X-RAY-ABSORPTION; DENSITY-FUNCTIONAL CALCULATION; PHOTOELECTRON-SPECTROSCOPY; IONIZATION ENERGIES; DNA NUCLEOBASES; DFT CALCULATION; FINE-STRUCTURE; GAS-PHASE; CORE AB The impact of the amino fragment (-NH2) attachment on the inner-shell structures and spectra of unsubstituted purine and the purine ring of adenine are studied. Density functional theory calculations, using the LB94/TZ2P//B3LYP/TZVP model, reveal significant site-dependent electronic structural changes in the inner shell of the species. A condensed Fukui function indicates that all of the N and C sites, except for N-(1) and C-(5), demonstrate significant electrophilic reactivity (f(-) > 0.5 in |e|) in the unsubstituted purine. Once the amino fragment binds to the C-(6) position of purine to form adenine, the electrophilic reactivity of these N and C sites is greatly reduced. As expected, the C-(6) position experiences substantial changes in energy and charge transfer, owing to the formation of the C -NH2 bond in adenine. The present study reveals that the N1s spectra of adenine inherit the N1s spectra of the unsubstituted purine, whereas the C1s spectra experience significant changes although purine and adenine have geometrically similar carbon frames. The findings also indicate that the attachment of the NH2 fragment to purine exhibits deeply rooted influences to the inner-shell structures of DNA/RNA bases. The present study suggests that some fragment-based methods may not be applicable to spectral analyses in the inner shell. (C) 2008 International Union of Crystallography. C1 [Saha, Saumitra; Wang, Feng] Swinburne Univ Technol, Ctr Mol Simulat, Hawthorn, Vic 3122, Australia. [MacNaughton, Janay B.] Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. [MacNaughton, Janay B.] Univ Saskatchewan, Dept Phys & Engn Phys, Saskatoon, SK S7N 5E2, Canada. [Chong, Denalo P.] Univ British Columbia, Dept Chem, Vancouver, BC V6T 1Z1, Canada. RP Wang, F (reprint author), Swinburne Univ Technol, Ctr Mol Simulat, Hawthorn, Vic 3122, Australia. EM fwang@swin.edu.au RI Wang, Feng/A-3770-2008; Saha, Saumitra/A-8021-2008; Saha, Saumitra/K-4836-2012 OI Wang, Feng/0000-0002-6584-0516; Saha, Saumitra/0000-0002-0378-626X NR 47 TC 21 Z9 21 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 MAR PY 2008 VL 15 BP 151 EP 157 DI 10.1107/S0909049508000630 PN 2 PG 7 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA 263VH UT WOS:000253244100006 PM 18296781 ER PT J AU Martello, DV Pekney, NJ Anderson, RR Davidson, CI Hopke, PK Kim, E Christensen, WF Mangelson, NF Eatough, DJ AF Martello, Donald V. Pekney, Natalie J. Anderson, Richard R. Davidson, Cliff I. Hopke, Philip K. Kim, Eugene Christensen, William F. Mangelson, Nolan F. Eatough, Delbert J. TI Apportionment of ambient primary and secondary fine particulate matter at the Pittsburgh National Energy Laboratory particulate matter characterization site using positive matrix factorization and a potential source contributions function analysis SO JOURNAL OF THE AIR & WASTE MANAGEMENT ASSOCIATION LA English DT Article ID 2001 SUMMER; PM2.5; AEROSOL; UNMIX; POLLUTANTS; PMF AB Fine particulate matter (PM2.5) concentrations associated with 202 24-hr amples collected at the National Energy Technology Laboratory (NETL) particulate matter (PM) characterization site in south Pittsburgh from October 1999 through September 2001 were used to apportion PM2.5 into primary and secondary contributions using Positive Matrix Factorization (PMF2). Input included the concentrations of PM2.5 mass determined with a Federal Reference Method (FRM) sampler, semi-volatile PM2.5, organic material, elemental carbon (EC), and trace element components of PM2.5. A total of 11 factors were identified. The results of potential source contributions function (PSCF) analysis using PMF2 factors and HYSPLIT-calculated back-trajectories were used to identify those factors associated with specific meteorological transport conditions. The 11 factors were identified as being associated with emissions from various specific regions and facilities including crustal material, gasoline combustion, diesel combustion, and three nearby sources high in trace metals. Three sources associated with transport from coal-fired power plants to the southeast, a combination of point sources to the northwest, and a steel mill and associated sources to the west were identified. In addition, two secondary-material-dominated sources were identified, one was associated with secondary products of local emissions and one was dominated by secondary ammonium sulfate transported to the NETL site from the west and southwest. Of these 11 factors, the four largest contributors to PM2.5, were the secondary transported material (dominated by ammonium sulfate) (47%), local secondary material (19%), diesel combustion emissions (10%), and gasoline combustion emissions (8%). The other seven factors accounted for the remaining 16% of the PM2.5 mass. The findings are consistent with the major source of PM2.5 in the Pittsburgh area being dominated by ammonium sulfate from distant transport and so decoupled from local activity emitting organic pollutants in the metropolitan area. In contrast, the major local secondary sources are dominated by organic material. C1 [Martello, Donald V.; Pekney, Natalie J.; Anderson, Richard R.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA USA. [Davidson, Cliff I.] Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15213 USA. [Hopke, Philip K.; Kim, Eugene] Clarkson Univ, Ctr Air Resources Engn & Sci, Potsdam, NY USA. [Hopke, Philip K.; Kim, Eugene] Clarkson Univ, Dept Chem Engn, Potsdam, NY USA. [Christensen, William F.] Brigham Young Univ, Dept Stat, Provo, UT 84602 USA. [Mangelson, Nolan F.; Eatough, Delbert J.] Brigham Young Univ, Dept Chem & Biochem, Provo, UT 84602 USA. RP Martello, DV (reprint author), Brigham Young Univ, Dept Chem & Biochem, E-114 BNSN, Provo, UT 84602 USA. EM Delbert_eatough@byu.edu RI Christensen, William/F-7216-2013; Hopke, Philip/C-6020-2008 OI Hopke, Philip/0000-0003-2367-9661 NR 24 TC 14 Z9 14 U1 0 U2 12 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 MAR PY 2008 VL 58 IS 3 BP 357 EP 368 DI 10.3155/1047-3289.58.3.357 PG 12 WC Engineering, Environmental; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 272RB UT WOS:000253876100002 PM 18376639 ER PT J AU Oster, S Langella, S Hastings, S Ervin, D Madduri, R Phillips, J Kurc, T Siebenlist, F Covitz, P Shanbhag, K Foster, I Saltz, J AF Oster, Scott Langella, Stephen Hastings, Shannon Ervin, David Madduri, Ravi Phillips, Joshua Kurc, Tahsin Siebenlist, Frank Covitz, Peter Shanbhag, Krishnakant Foster, Ian Saltz, Joel TI caGrid 1.0: An enterprise Grid infrastructure for biomedical research SO JOURNAL OF THE AMERICAN MEDICAL INFORMATICS ASSOCIATION LA English DT Article ID INFORMATICS AB Objective: To develop software infrastructure that will provide support for discovery, characterization, integrated access, and management of diverse and disparate collections of information sources, analysis methods, and applications in biomedical research. Design: An enterprise Grid software infrastructure, called caGrid version 1.0 (caGrid 1.0), has been developed as the core Grid architecture of the NCI-sponsored cancer Biomedical Informatics Grid (caBIG (TM)) program. It is designed to support a wide range of use cases in basic, translational, and clinical research, including 1) discovery, 2) integrated and large-scale data analysis, and 3) coordinated study. Measurements: The caGrid is built as a Grid software infrastructure and leverages Grid computing technologies and the Web Services Resource Framework standards. It provides a set of core services, toolkits for the development and deployment of new community provided services, and application programming interfaces for building client applications. Results: The caGrid 1.0 was released to the caBIG community in December 2006. It is built on open source components and caGrid source code is publicly and freely available under a liberal open source license. The core software, associated tools, and documentation can be downloaded from the following URL: https://cabig.nci.nih. gov/workspaces/Architecture/caGrid. Conclusions: While caGrid 1.0 is designed to address use cases in cancer research, the requirements associated with discovery, analysis and integration of large scale data, and coordinated studies are common in other biomedical fields. In this respect, caGrid 1.0 is the realization of a framework that can benefit the entire biomedical community. C1 [Oster, Scott; Langella, Stephen; Hastings, Shannon; Ervin, David; Kurc, Tahsin; Saltz, Joel] Ohio State Univ, Dept Biomed Informat, Columbus, OH 43210 USA. [Madduri, Ravi; Siebenlist, Frank; Foster, Ian] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Covitz, Peter; Shanbhag, Krishnakant] NCI, Ctr Bioinformat, Rockville, MD USA. [Phillips, Joshua] SemanticsBits, Reston, VA USA. RP Kurc, T (reprint author), Ohio State Univ, Dept Biomed Informat, 3184 Graves Hall,333 W 10th Ave, Columbus, OH 43210 USA. EM kurc@bmi.osu.edu FU NHLBI NIH HHS [R01 HL105239, R24 HL085343]; NIBIB NIH HHS [P20 EB000591]; NLM NIH HHS [R01 LM009239]; PHS HHS [79077CBS10] NR 37 TC 59 Z9 59 U1 0 U2 9 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1067-5027 J9 J AM MED INFORM ASSN JI J. Am. Med. Inf. Assoc. PD MAR-APR PY 2008 VL 15 IS 2 BP 138 EP 149 DI 10.1197/jamia.M2522 PG 12 WC Computer Science, Information Systems; Computer Science, Interdisciplinary Applications; Information Science & Library Science; Medical Informatics SC Computer Science; Information Science & Library Science; Medical Informatics GA 273UL UT WOS:000253957100003 PM 18096909 ER PT J AU McJimpsey, EL Jackson, WM Lebrilla, CB Tobias, H Bogan, MJ Gard, EE Frank, M Steele, PT AF McJimpsey, Erica L. Jackson, William M. Lebrilla, Carlito B. Tobias, Herbert Bogan, Michael J. Gard, Eric E. Frank, Matthias Steele, Paul T. TI Parameters contributing to efficient ion generation in aerosol MALDI mass spectrometry SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Article ID LASER-DESORPTION IONIZATION; BACILLUS-ATROPHAEUS SPORES; REAL-TIME; SPECTRAL SIGNATURES; AIRBORNE PARTICLES; SINGLE PARTICLES; MATRIX; DESORPTION/IONIZATION; SIZE; SPECTROSCOPY AB The Bioaerosol Mass Spectrometry (BAMS) system was developed for the real-time detection and identification of biological aerosols using laser desorption ionization. Greater differentiation of particle types is desired; consequently MALDI techniques are being investigated. The small sample size (similar to 1 mu m(3)), lack of substrate, and ability to simultaneously monitor both positive and negative ions provide a unique opportunity to gain new insight into the MALDI process. Several parameters known to influence MALDI molecular ion yield and formation are investigated here in the single particle phase. A comparative study of five matrices (2,6-dihydroxyacetophenone, 2,5-dihydroxybenzoic acid, alpha-cyano-4-hydroxycinnamic acid, ferulic acid, and sinapinic acid) with a single analyte (angiotensin 1) is presented and reveals effects of matrix selection, matrix-to-analyte molar ratio, and aerosol particle diameter. The strongest analyte ion signal is found at a matrix-to-analyte molar ratio of 100:1. At this ratio, the matrices yielding the least and greatest analyte molecular ion formation are ferulic acid and alpha-cyano-4-hydroxycinnamic acid, respectively. Additionally, a significant positive correlation is found between aerodynamic particle diameter and analyte molecular ion yield for all matrices. SEM imaging of select aerosol particle types reveals interesting surface morphology and structure. C1 [McJimpsey, Erica L.; Jackson, William M.; Lebrilla, Carlito B.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [McJimpsey, Erica L.; Tobias, Herbert; Bogan, Michael J.; Gard, Eric E.; Frank, Matthias; Steele, Paul T.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP McJimpsey, EL (reprint author), Univ Calif Davis, Dept Chem, 1 Shields Ave, Davis, CA 95616 USA. EM mcjimpsey2@llnl.gov RI Bogan, Mike/I-6962-2012; Frank, Matthias/O-9055-2014 OI Bogan, Mike/0000-0001-9318-3333; NR 51 TC 8 Z9 8 U1 0 U2 10 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 MAR PY 2008 VL 19 IS 3 BP 315 EP 324 DI 10.1016/j.jasms.2007.11.009 PG 10 WC Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Chemistry; Spectroscopy GA 278EI UT WOS:000254266400001 PM 18155920 ER PT J AU Baker, ES Tang, KQ Danielson, WF Prior, DC Smith, RD AF Baker, Erin Shammel Tang, Keqi Danielson, William F., III Prior, David C. Smith, Richard D. TI Simultaneous fragmentation of multiple ions using IMS drift time dependent collision energies SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Article ID TANDEM MASS-SPECTROMETRY; ELECTRON-CAPTURE DISSOCIATION; MS/MS-ANALYSIS; PEPTIDES; IONIZATION; IDENTIFICATION; MS; CHROMATOGRAPHY; ACTIVATION; EFFICIENCY AB Ion mobility spectrometry coupled with mass spectrometry (IMS-MS) was utilized to evaluate an ion collision energy ramping technique that simultaneously fragments a variety of species. To evaluate this technique, the fragmentation patterns of a mixture of ions ranging in mass, charge state, and drift time were analyzed to determine their optimal fragmentation conditions. The precursor ions were pulsed into the IMS-MS instrument and separated in the IMS drift cell based on mobility differences. Two differentially pumped short quadrupoles were used to focus the ions exiting the drift cell, and fragmentation was induced by collision induced dissociation (CID) between the conductance limiting orifice behind the second short quadrupole and before the first octopole in the mass spectrometer. To explore the fragmentation spectrum of each precursor ion, the bias voltages for the short quadrupoles and conductance limiting orifices were increased from 0 to 50 V above nonfragmentation voltage settings. An approximately linear correlation was observed between the optimal fragmentation voltage for each ion and its specific drift time, so a linear voltage gradient was employed to supply less collision energy to high mobility ions (e.g., small conformations or higher charge state ions) and more to low mobility ions. Fragmentation efficiencies were found to be similar for different ions when the fragmentation voltage was linearly ramped with drift time, but varied drastically when only a single voltage was used. C1 [Baker, Erin Shammel; Tang, Keqi; Danielson, William F., III; Prior, David C.; Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Baker, Erin Shammel; Tang, Keqi; Danielson, William F., III; Prior, David C.; Smith, Richard D.] Pacific NW Natl Lab, ENvironm Mol Sci Lab, Richland, WA 99352 USA. RP Smith, RD (reprint author), Pacific NW Natl Lab, Div Biol Sci, 3335 Q Ave K8-98,POB 999, Richland, WA 99352 USA. EM rds@pnl.gov RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU NCI NIH HHS [R21 CA12619-01, R33 CA126191, R33 CA126191-02]; NCRR NIH HHS [P41 RR018522, P41 RR018522-05, RR18 522] NR 36 TC 21 Z9 21 U1 1 U2 6 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 MAR PY 2008 VL 19 IS 3 BP 411 EP 419 DI 10.1016/j.jasms.2007.11.018 PG 9 WC Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Chemistry; Spectroscopy GA 278EI UT WOS:000254266400011 PM 18226544 ER PT J AU Lee, CW Kim, MJ Standaert, R Kim, S Owens, E Yan, J Choa, YH Doktycz, M Lee, JS AF Lee, Chang-Woo Kim, Min-Jung Standaert, R. Kim, Seyeon Owens, E. Yan, Jun Choa, Yong-Ho Doktycz, M. Lee, Jai-Sung TI Application of nanoparticles for materials recognition using peptide phage display technique - Part II: Magnetic bio-panning using Fe3O4 nanoparticles SO JOURNAL OF THE KOREAN INSTITUTE OF METALS AND MATERIALS LA Korean DT Article DE Fe3O4 nanoparticles; magnetic bio-panning; phage display; histidine; materials recognition ID IRON-OXIDE NANOPARTICLES; BIOMEDICAL APPLICATIONS AB The magnetism of Fe3O4 nanoparticles was applied to magnetic bio-panning process for finding specific sequences against Fe3O4 crystal phase. Vibrating sample magnetometer (VSM) measurement showed that the coercivity of 30 Oe and the saturation magnetization of 55 emu/g were sufficient in controlling particle movement and magnetizing particles in the media, respectively. This ferrimagnetism of nanoparticles practically enhanced panning efficiency by exaggerating centrifuge step and preventing particle loss. Sequencing results showed that histidine which was commonly found in peptide sequences played an important role in the binding onto Fe3O4 nanoparticle surface. However, various possible motifs were also observed from several neighboring amino acids of histidine. C1 [Lee, Chang-Woo; Kim, Min-Jung; Choa, Yong-Ho; Lee, Jai-Sung] Hanyang Univ, Div Mat & Chem Engn, Seoul, South Korea. [Lee, Chang-Woo; Standaert, R.; Kim, Seyeon; Owens, E.; Yan, Jun; Doktycz, M.] Oak Ridge Natl Lab, Biol & Nanoscale Syst Grp, Oak Ridge, TN 37831 USA. RP Lee, JS (reprint author), Hanyang Univ, Div Mat & Chem Engn, Seoul, South Korea. EM jslee@hanyang.ac.kr RI Doktycz, Mitchel/A-7499-2011; Standaert, Robert/D-9467-2013 OI Doktycz, Mitchel/0000-0003-4856-8343; Standaert, Robert/0000-0002-5684-1322 NR 16 TC 0 Z9 0 U1 3 U2 15 PU KOREAN INST METALS MATERIALS PI SEOUL PA KIM BLDG 6TH FLOOR, SEOCHO-DAERO 56 GIL 38, SEOCHO-GU, SEOUL 137-881, SOUTH KOREA SN 1738-8228 J9 J KOREAN INST MET MA JI J. Korean Inst. Met. Mater. PD MAR PY 2008 VL 46 IS 3 BP 131 EP 134 PG 4 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 290FR UT WOS:000255109200004 ER PT J AU Kim, SH AF Kim, Sang-Ho TI Status of the SNS superconducting linac and future plan SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Review DE superconducting radio frequency; spallation; elliptical cavity; cryomodule AB The use of superconducting radiofrequency (SRF) cavities in particle accelerator is becoming more widespread. Among the projects that make use of that technology is the Spallation Neutron Source, where H- ions are accelerated to about 1 GeV, mostly making use of nobium elliptical cavities. SNS generates neutrons by the spallation reaction with the accelerated short (about 700 ns) sub-bunches of protons, which will in turn allow probing structural and magnetic properties of new and existing materials. The SNS superconducting linac is the largest application of RF superconductivity to come on-line in the last decade and has been operating with beam for almost two years. As the first operational pulsed superconducting linac, many of the aspects of its performance were unknown and unpredictable. A lot of experiences and data have been gathered on the pulsed behavior of cavities and cryomodules at various repetition rates and at various temperatures during the commissioning of its components and beam operations. This experience is of great value in determining future optimizations of SNS as well in guiding in the design and operation of future pulsed superconducting linacs. The testing of the superconducting cavities, the operating experience with beam, the performance of the superconducting linac and the future plans will be presented. C1 Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. RP Kim, SH (reprint author), Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. EM kimsh@ornl.gov OI KIM, SANG-HO/0000-0001-5190-9909 NR 4 TC 7 Z9 7 U1 0 U2 4 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 MAR PY 2008 VL 52 IS 3 SI SI BP 714 EP 720 PN 1 PG 7 WC Physics, Multidisciplinary SC Physics GA 275FQ UT WOS:000254057700005 ER PT J AU Schrage, DL Ostroumov, PN Barcikowski, A Fallin, D Kolomiets, AA AF Schrage, D. L. Ostroumov, P. N. Barcikowski, A. Fallin, D. Kolomiets, A. A. TI A 12-MHz CW RFQ for the AEBL project SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Review DE RFQ AB The Advanced Exotic Beam Laboratory (AEBL) at the Argonne National Laboratory (ANL) will provide a research facility for studies of nuclear phenomena by using beams of short-lived isotopes for research on the nature of nucleonic matter and the origin of the elements, for tests of the Standard Model, for applications in medicine and industry, and for other applied physics research. The proposed design of the AEBL driver linac evolved from the Rare Isotope Accelerator (RIA) project. The AEBL will be a CW linac capable of accelerating uranium ions up to 200 MeV/u and protons to 580 MeV with 400 kW beam power. The AEBL facility also includes a post-accelerator which is designed for acceleration of radioactive ions with charge-to-mass ratios in the range from 1/238 to 1/6. Very low charge-state ions can be most efficiently bunched and accelerated by using normally-conducting radio-frequency quadrupole (RFQ) for the first few MV of the post accelerator. A two-meter long, 12-MHz CW RFQ was designed, built, and tested in the late 1990s as the first section of a three-section RFQ [18]. This RFQ achieved inter-electrode voltages of 110 kV CW (the peak surface field was similar to 15 MV/m) and accelerated beams with A/q as large as 132 (Xe-132). The AEBL requires a similar RFQ for the post-acceleration of singly-charged unstable nuclides. Our plan is to replace the vanes of this RFQ with a design that incorporates a stronger focusing and that will achieve a higher peak surface field (16 MV/m) at 82.2-kV inter-vane voltage. The objectives of this project are 1. to confirm the possibility of a low injection energy of 0.4 keV/u which significantly reduces the voltage required for a high-voltage deck; 2. to test the highest possible peak surface field on the RFQ electrodes designed for the lowest frequency of 12 MHz compared to existing RFQs worldwide; 3. to provide a technical base for the design of a post-accelerator for the future Advanced Exotic Beam Facility. At the present time, the design is complete, and the fabrication of the 12 MHz RFQ is scheduled to commence in October 2007 with testing planned in 2008. The physics and engineering design of the RFQ is discussed. C1 [Schrage, D. L.] TechSource, Santa Fe, NM USA. [Ostroumov, P. N.; Barcikowski, A.; Fallin, D.] Argonne Natl Lab, Argonne, IL 60439 USA. [Kolomiets, A. A.] Inst Theoret & Expt Phys, Moscow, Russia. RP Schrage, DL (reprint author), TechSource, Santa Fe, NM USA. EM schragenm@hotmail.com NR 14 TC 0 Z9 0 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 MAR PY 2008 VL 52 IS 3 SI SI BP 733 EP 737 PN 1 PG 5 WC Physics, Multidisciplinary SC Physics GA 275FQ UT WOS:000254057700008 ER PT J AU Martinez, E Marian, J Arsenlis, A Victoria, M Perlado, JM AF Martinez, E. Marian, J. Arsenlis, A. Victoria, M. Perlado, J. M. TI Atomistically informed dislocation dynamics in fcc crystals SO JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS LA English DT Article DE dislocation dynamics; fee plasticity; cross-slip; dislocation locks; numerical methods ID CROSS-SLIP; SINGLE-CRYSTALS; COMPUTER-SIMULATIONS; PLASTIC-DEFORMATION; SCREW DISLOCATIONS; MOLECULAR-DYNAMICS; MESOSCOPIC SCALE; METALS; COPPER; LATTICE AB We develop a nodal dislocation dynamics (DID) model to simulate plastic processes in fee crystals. The model explicitly accounts for all slip systems and Burgers vectors observed in fee systems, including stacking faults and partial dislocations. We derive simple conservation rules that describe all partial dislocation interactions rigorously and allow us to model and quantify cross-slip processes, the structure and strength of dislocation junctions, and the formation of fcc-specific structures such as stacking fault tetrahedra. The DD framework is built upon isotropic non-singular linear elasticity and supports itself on information transmitted from the atomistic scale. In this fashion, connection between the meso and micro scales is attained self-consistently, with all material parameters fitted to atomistic data. We perform a series of targeted simulations to demonstrate the capabilities of the model, including dislocation reactions and dissociations and dislocation junction strength. Additionally we map the four-dimensional stress space relevant for cross-slip and relate our findings to the plastic behavior of monocrystalline fee metals. (C) 2007 Elsevier Ltd. All rights reserved. C1 [Martinez, E.; Marian, J.; Arsenlis, A.; Victoria, M.] Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. [Martinez, E.; Victoria, M.; Perlado, J. M.] Univ Politecn Madrid, Inst Fus Nucl, E-28006 Madrid, Spain. RP Martinez, E (reprint author), Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. EM martinez210@llnl.gov NR 65 TC 35 Z9 36 U1 6 U2 33 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-5096 J9 J MECH PHYS SOLIDS JI J. Mech. Phys. Solids PD MAR PY 2008 VL 56 IS 3 BP 869 EP 895 DI 10.1016/j.jmps.2007.06.014 PG 27 WC Materials Science, Multidisciplinary; Mechanics; Physics, Condensed Matter SC Materials Science; Mechanics; Physics GA 278FC UT WOS:000254268900009 ER PT J AU Ardavan, H Ardavan, A Singleton, J Fasel, J Schmidt, A AF Ardavan, Houshang Ardavan, Arzhang Singleton, John Fasel, Joseph Schmidt, Andrea TI Fundamental role of the retarded potential in the electrodynamics of superluminal sources SO JOURNAL OF THE OPTICAL SOCIETY OF AMERICA A-OPTICS IMAGE SCIENCE AND VISION LA English DT Article ID NONSPHERICALLY-DECAYING RADIATION; ROTATING DISTRIBUTION PATTERNS; POLARIZATION CHARACTERISTICS; ELECTROMAGNETIC-RADIATION; GIANT PULSES; CRAB PULSAR; CURRENTS; FASTER; GENERATION; VACUUM AB We calculate the gradient of the radiation field generated by a polarization current with a superluminally rotating distribution pattern and show that the absolute value of this gradient increases as R-7/2 with distance R, within the sharply focused subbeams that constitute the overall radiation beam from such a source. In addition to supporting the earlier finding that the azimuthal and polar widths of these subbeams become narrower (as R-3 and R-1, respectively) with distance from the source, this result implies that the boundary contribution to the solution of the wave equation governing the radiation field does not always vanish in the limit where the boundary tends to infinity (as is commonly assumed in textbooks and the published literature). While the boundary contribution to the retarded solution for the potential can always be rendered equal to zero by means of a gauge transformation that preserves the Lorenz condition, the boundary contribution to the retarded solution of the wave equation for the field may be neglected only if it diminishes with distance faster than the contribution of the source density. In the case of a rotating superluminal source, however, the boundary term in the retarded solution for the field is by a factor of the order of R 112 larger than the source term of this solution, in the limit where the boundary tends to infinity. This result explains why an argument based on the solution of the wave equation governing the field in which the boundary term is neglected [such as that presented by Hannay, J. Opt. Sec. A 23, 1530 (2006)] misses the nonspherical decay of the field that is generated by a rotating superluminal source. The only way one can calculate the free-space radiation field of an accelerated superluminal source is via the retarded solution for the potential. Our findings have implications also for the observations of the pulsar emission: The more distant a pulsar, the narrower and brighter its giant pulses should be. (c) 2008 Optical Society of America. C1 [Singleton, John] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. [Ardavan, Houshang] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. [Ardavan, Arzhang] Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. RP Singleton, J (reprint author), Los Alamos Natl Lab, Natl High Magnet Field Lab, MS-E536, Los Alamos, NM 87545 USA. EM jsingle@lanl.gov OI Schmidt, Andrea/0000-0002-5017-1030 NR 27 TC 6 Z9 6 U1 0 U2 0 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1084-7529 J9 J OPT SOC AM A JI J. Opt. Soc. Am. A-Opt. Image Sci. Vis. PD MAR PY 2008 VL 25 IS 3 BP 543 EP 557 DI 10.1364/JOSAA.25.000543 PG 15 WC Optics SC Optics GA 282EL UT WOS:000254550300002 PM 18311221 ER PT J AU Ardavan, H Ardavan, A Singleton, J Fasel, J Schmidt, A AF Ardavan, Houshang Ardavan, Arzhang Singleton, John Fasel, Joseph Schmidt, Andrea TI Spectral properties of the nonspherically decaying radiation generated by a rotating superluminal source SO JOURNAL OF THE OPTICAL SOCIETY OF AMERICA A-OPTICS IMAGE SCIENCE AND VISION LA English DT Article ID ELECTROMAGNETIC-RADIATION; POLARIZATION CURRENTS; DISTRIBUTION PATTERNS; GIANT PULSES; CRAB PULSAR; VACUUM AB The focusing of the radiation generated by a polarization current with a superluminally rotating distribution pattern is of a higher order in the plane of rotation than in other directions. Consequently, our previously published [J. Opt. Sec. Am. A 24, 2443 (2007)] asymptotic approximation to the value of this field outside the equatorial plane breaks down as the line of sight approaches a direction normal to the rotation axis, i.e., is nonuniform with respect to the polar angle. Here we employ an alternative asymptotic expansion to show that, though having a rate of decay with frequency (mu) that is by a factor of order mu(2/3) slower, the equatorial radiation field has the same dependence on distance as the nonspherically decaying component of the generated field in other directions: It, too, diminishes as the inverse square root of the distance from its source. We also briefly discuss the relevance of these results to the giant pulses received from pulsars: The focused, nonspherically decaying pulses that arise from a superluminal polarization current in a highly magnetized plasma have a power-law spectrum (i.e., a flux density S-proportional to mu(alpha)) whose index (alpha) is given by one of the values -2/3, -2, -8/3, or -4. (C) 2008 Optical Society of America. C1 [Fasel, Joseph; Schmidt, Andrea] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Ardavan, Houshang] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. [Ardavan, Arzhang] Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. [Singleton, John] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. RP Fasel, J (reprint author), Los Alamos Natl Lab, MS-F609, Los Alamos, NM 87545 USA. EM jhf@ianl.gov OI Schmidt, Andrea/0000-0002-5017-1030 NR 15 TC 2 Z9 2 U1 0 U2 1 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1084-7529 J9 J OPT SOC AM A JI J. Opt. Soc. Am. A-Opt. Image Sci. Vis. PD MAR PY 2008 VL 25 IS 3 BP 780 EP 784 DI 10.1364/JOSAA.25.000780 PG 5 WC Optics SC Optics GA 282EL UT WOS:000254550300030 PM 18311249 ER PT J AU Kabasawa, E Nakamura, J Yamada, N Kuroki, K Yamazaki, H Watanabe, M Denlinger, JD Shin, S Perera, RCC AF Kabasawa, Eiki Nakamura, Jin Yamada, Nobuyoshi Kuroki, Kazuhiko Yamazaki, Hisashi Watanabe, Masamitsu Denlinger, Jonathan D. Shin, Shik Perera, Rupert C. C. TI Hole distribution in (Sr,Ca,Y,La)(14)Cu24O41 compounds studied by X-ray absorption and emission spectroscopy SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN LA English DT Article DE superconductivity; two-leg ladder; edge-shared chain; cuprate; x-ray absorption spectroscopy; x-ray emission spectroscopy; hole transfer ID SPIN GAP; SPECTRAL WEIGHT; SUPERCONDUCTIVITY; LADDERS; CHAINS AB The polarization dependence of soft x-ray absorption spectroscopy (XAS) and x-ray emission spectroscopy (XES) near the O 1s absorption edge was measured on two-leg ladder single-crystalline samples of (Sr,Ca,Y,La)(14)Cu24O41 (14-24-41). The hole distributions in 14-24-41 compounds are determined by polarization analysis. For samples with less than or equal to 5 holes/chemical formula (c.f.), all holes reside on the edge-shared chain layer. In the case of Sr14-xCaxCu24O41 (6 holes/c.f.), there is approximately one hole on the two-leg ladder layer, with about five holes remaining on the edge-shared chain layer. By Ca substitution for Sr in the Sr14-xCaxCu24O41 samples, 0.3 holes transfer from the edge-shared chain to the two-leg ladder layer. It is possible that some of the holes on the two-leg ladder layer move from the rung sites to the leg sites upon Ca substitution. C1 [Kabasawa, Eiki] Tokyo Metropolitan Coll Ind Technol, Tokyo 1400011, Japan. [Nakamura, Jin; Yamada, Nobuyoshi; Kuroki, Kazuhiko; Yamazaki, Hisashi] Univ Electrocommun, Dept Appl Phys & Chem, Tokyo 1828585, Japan. [Watanabe, Masamitsu] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Shin, Shik] Univ Tokyo, Inst Solid State Phys, Chiba 2778581, Japan. [Perera, Rupert C. C.] Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. RP Kabasawa, E (reprint author), Tokyo Metropolitan Coll Ind Technol, Tokyo 1400011, Japan. NR 23 TC 5 Z9 5 U1 1 U2 6 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 MAR PY 2008 VL 77 IS 3 AR 034704 DI 10.1143/JPSJ.77.034704 PG 11 WC Physics, Multidisciplinary SC Physics GA 278UN UT WOS:000254311900045 ER PT J AU Elam, JW Baker, DA Hryn, AJ Martinson, ABF Pellin, MJ Hupp, JT AF Elam, Jeffrey W. Baker, David A. Hryn, Alexander J. Martinson, Alex B. F. Pellin, Michael J. Hupp, Joseph T. TI Atomic layer deposition of tin oxide films using tetrakis(dimethylamino) tin SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; SNO2 THIN-FILMS; QUARTZ-CRYSTAL MICROBALANCE; GAS-SENSING PROPERTIES; CONTROLLED GROWTH; SOLAR-CELLS; EPITAXY; SURFACE; INDIUM; ELLIPSOMETRY AB The authors present a new method for preparing thin films of SnO(2) by atomic layer deposition (ALD) using alternating exposures to tetrakis(dimethylamino) tin and hydrogen peroxide. This method avoids problems of corrosion and agglomeration associated with the halogenated compound, SnCl(4). Tin oxide films were successfully deposited on a variety of substrates using deposition temperatures of 50-300 degrees C at an average growth rate of 1.2 angstrom/cycle. They use in situ quartz crystal microbalance and quadrupole mass spectrometry measurements to explore the mechanism for SnO(2) ALD. Scanning electron microscopy of SnO(2) films deposited on Si(100) show that the SnO(2) films are smooth, conformal, and nearly featureless, while atomic force microscopy yields a surface roughness of only 0.84 nm for a film with a thickness of 92 nm. X-ray diffraction reveals that the Sn02 films are amorphous. Films deposited on glass yielded a resistivity of similar to 0.3 Omega cm and an optical transmission of 94% for a film thickness of 140 nm. X-ray photoelectron spectroscopy measurements were consistent with residual dimethylamine ligands remaining in the film at deposition temperatures below 150 degrees C. This method allows, for the first time, low temperature (50 degrees C) growth of SnO(2) films by ALD. Additionally, they show that this process is suitable for conformally coating high aspect ratio anodic alumina membranes. (C) 2008 American Vacuum Society. C1 [Elam, Jeffrey W.; Baker, David A.; Hryn, Alexander J.; Martinson, Alex B. F.; Pellin, Michael J.] Argonne Natl Lab, Argonne, IL 60439 USA. [Martinson, Alex B. F.; Hupp, Joseph T.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. RP Elam, JW (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jelam@anl.gov RI Pellin, Michael/B-5897-2008; Hupp, Joseph/K-8844-2012 OI Pellin, Michael/0000-0002-8149-9768; Hupp, Joseph/0000-0003-3982-9812 NR 45 TC 63 Z9 64 U1 7 U2 74 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0734-2101 J9 J VAC SCI TECHNOL A JI J. Vac. Sci. Technol. A PD MAR-APR PY 2008 VL 26 IS 2 BP 244 EP 252 DI 10.1116/1.2835087 PG 9 WC Materials Science, Coatings & Films; Physics, Applied SC Materials Science; Physics GA 282CB UT WOS:000254544100011 ER PT J AU Voss, LF Ip, K Peartona, SJ Shul, RJ Overberg, ME Baca, AG Sanchez, C Stevens, J Martinez, M Armendariz, MG Wouters, GA AF Voss, L. F. Ip, K. Peartona, S. J. Shul, R. J. Overberg, M. E. Baca, A. G. Sanchez, C. Stevens, J. Martinez, M. Armendariz, M. G. Wouters, G. A. TI SiC via fabrication for wide-band-gap high electron mobility transistor/microwave monolithic integrated circuit devices SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article ID ALGAN/GAN HEMTS; PLASMA; CHEMISTRIES; GANHFETS; POWER; W/MM AB A process for achieving high yield of SiC through wafer via holes without trenching or micromasking and with excellent electrical connection after subsequent metal plating across full wafers was developed for use in high electron mobility transistors (HEMTs) and microwave monolithic integrated circuits (MMICs) using an inductively coupled plasma etch. Consideration was given to the choice of wafer platen, hard mask, gas chemistry, surface treatments, and plasma parameters in order to achieve an acceptable etch rate while at the same time minimizing trenching and micromasking that can harm via yield. In addition, the issue of wafer thickness variation and etch nonuniformity leading to punch through of Au pads at the bottom of the vias was addressed by the addition of a metal layer to the front side of the wafer. The etch rate achieved for 25% of a 2 in. diameter wafer is approximately 3800 angstrom/min while demonstrating acceptable levels of trenching and micromasking with little or no Au punch through. The final process has been demonstrated to achieve >95% yield across a full 2 in. diameter, 100 mu m thick wafer with a high density of vias. (C) 2008 American Vacuum Society. C1 [Voss, L. F.; Ip, K.; Peartona, S. J.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. [Shul, R. J.; Overberg, M. E.; Baca, A. G.; Sanchez, C.; Stevens, J.; Martinez, M.; Armendariz, M. G.; Wouters, G. A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Voss, LF (reprint author), Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. EM spear@mse.ufl.edu RI Voss, Lars/C-3623-2009 NR 13 TC 9 Z9 9 U1 0 U2 10 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 MAR-APR PY 2008 VL 26 IS 2 BP 487 EP 494 DI 10.1116/1.2837849 PG 8 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 282XL UT WOS:000254600600006 ER PT J AU Burckel, DB Brueck, SRJ AF Burckel, D. B. Brueck, S. R. J. TI Route to production of suspended perforated membranes SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article ID LITHOGRAPHY; FABRICATION AB The authors report a flexible approach to fabrication of suspended perforated membranes. Interferometric lithography is used to pattern photoresist to create an etch mask on a silicon substrate. Reactive ion etching results in the formation of a matrix of silicon pillars. The interstices of the pillar matrix are then filled with the membrane material. Subsequent removal of the silicon matrix and underlying substrate yields a suspended membrane with perforations where the pillar matrix protruded prior to removal. The method combines interferometric lithography and conventional lithography to provide both periodic and nonperiodic patterns in a seamless process flow. The use of a matrix of sacrificial pillars enables the formation of higher aspect ratio holes than standard liftoff or etched film approaches. Perforated membranes of a siloxane based silica, photocurable polymer, and evaporated Cr are presented, demonstrating the wide process latitude of this approach. Such suspended membranes have application in photonic, metamaterials, DNA translocation, and biological and chemical sensors. (C) 2008 American Vacuum Society. C1 [Burckel, D. B.] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. [Brueck, S. R. J.] Univ New Mexico, Ctr High Technol Mat, Albuquerque, NM 87106 USA. [Brueck, S. R. J.] Univ New Mexico, Dept Elect & Comp Engn, Albuquerque, NM 87106 USA. RP Burckel, DB (reprint author), Sandia Natl Labs, Adv Mat Lab, 1001 Univ Blvd,Suite 100, Albuquerque, NM 87106 USA. EM dbburck@sandia.gov RI Brueck, Steven/A-6383-2013; OI Brueck, Steven/0000-0001-8754-5633 NR 10 TC 0 Z9 0 U1 0 U2 0 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 MAR-APR PY 2008 VL 26 IS 2 BP 589 EP 592 DI 10.1116/1.2889431 PG 4 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 282XL UT WOS:000254600600021 ER PT J AU Cole, GD Behymer, E Goddard, LL Bond, TC AF Cole, Garrett D. Behymer, Elaine Goddard, Lynford L. Bond, Tiziana C. TI Fabrication of suspended dielectric mirror structures via xenon difluoride etching of an amorphous germanium sacrificial layer SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article ID SURFACE-EMITTING LASERS; VERTICAL-CAVITY SOAS; TUNING RANGE; VCSEL; NM AB The authors present a simplified fabrication method for the creation of free-standing dielectric mirrors for use in monolithic wavelength tunable surface-normal photonic devices, including vertical-cavity surface emitting lasers. This process utilizes a nonplasma dry etching process, based on the noble gas halide, xenon difluoride (XeF2), to remove an inorganic sacrificial film comprised of low-temperature deposited amorphous germanium (alpha-Ge). By utilizing nonplasma dry etching of an inorganic film, this procedure circumvents the need for critical point drying and avoids the limitations imposed by polymer-based sacrificial layers. In this procedure the authors observe remarkably rapid lateral etching, with rates in excess of 150 mu m/min for electron-beam evaporated alpha-Ge films. The viability of this novel surface micromachining process is demonstrated by presenting the static and dynamic mechanical characteristics of electrostatically actuated suspended dielectric Bragg reflectors. (C) 2008 American Vacuum Society. C1 [Cole, Garrett D.; Behymer, Elaine; Goddard, Lynford L.; Bond, Tiziana C.] Lawrence Livermore Natl Lab, Ctr Micro & Nanotechnol, Livermore, CA 94550 USA. RP Cole, GD (reprint author), Lawrence Livermore Natl Lab, Ctr Micro & Nanotechnol, Livermore, CA 94550 USA. EM cole35@llnl.gov RI Cole, Garrett/B-9383-2011 NR 21 TC 3 Z9 3 U1 1 U2 4 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 MAR-APR PY 2008 VL 26 IS 2 BP 593 EP 597 DI 10.1116/1.2890673 PG 5 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 282XL UT WOS:000254600600022 ER PT J AU Salvadori, MC Lisboa, FS Fernandes, FM Brown, IG AF Salvadori, M. C. Lisboa, F. S. Fernandes, F. M. Brown, I. G. TI Novel method for measuring nanofriction by atomic force microscope SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article ID LATERAL FORCE; SPRING CONSTANTS; QUANTITATIVE NANOTRIBOLOGY; WEAR PROPERTIES; SCANNING FORCE; CARBON-FILMS; FRICTION; CALIBRATION; CANTILEVERS; DEPOSITION AB The authors describe a novel approach to the measurement of nanofriction, and demonstrate the application of the method by measurement of the coefficient of friction for diamondlike carbon (DLC) on DLC, Si on DLC, and Si on Si surfaces. The technique employs an atomic force microscope in a mode in which the tip moves only in the z (vertical) direction and the sample surface is sloped. As the tip moves vertically on the sloped surface, lateral tip slipping occurs, allowing the cantilever vertical deflection and the frictional (lateral) force to be monitored as a function of tip vertical deflection. The advantage of the approach is that cantilever calibration to obtain its spring constants is not necessary. Using this method, the authors have measured friction coefficients, for load range 0 < L M 6 mu N, of 0.047 +/- 0.002 for Si on Si, 0.0173 +/- 0.0009 for Si on DLC, and 0.0080 +/- 0.0005 for DLC on DLC. For load range 9 < L < 13 mu N, the DLC on DLC coefficient of friction increased to 0.051 +/- 0.003. (C) 2008 American Vacuum Society. C1 [Salvadori, M. C.; Lisboa, F. S.; Fernandes, F. M.] Univ Sao Paulo, Inst Phys, BR-05315970 Sao Paulo, Brazil. [Brown, I. G.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Salvadori, MC (reprint author), Univ Sao Paulo, Inst Phys, CP 66318, BR-05315970 Sao Paulo, Brazil. EM mcsalvadori@if.usp.br RI Fernandes, Fernando/G-7342-2015; Salvadori, Maria Cecilia/A-9379-2013 NR 44 TC 3 Z9 3 U1 0 U2 4 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 MAR-APR PY 2008 VL 26 IS 2 BP 643 EP 650 DI 10.1116/1.2890694 PG 8 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 282XL UT WOS:000254600600031 ER PT J AU Jensen, KL Petillo, JJ Montgomery, EJ Pan, ZG Feldman, DW O'Shea, PG Moody, NA Cahay, M Yater, JE Shaw, JL AF Jensen, Kevin L. Petillo, John J. Montgomery, Eric J. Pan, Zhigang Feldman, Donald W. O'Shea, Patrick G. Moody, Nathan A. Cahay, M. Yater, Joan E. Shaw, Jonathan L. TI Application of a general electron emission equation to surface nonuniformity and current density variation SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article; Proceedings Paper CT 20th International Vacuum Nanoelectronics Conference CY JUL 08-12, 2008 CL Chicago, IL ID SHORT-PULSE PHOTOEMISSION; DIFFUSION; ATOMS; METALS; LASER AB Electron emission nonuniformity is a cause of intrinsic emittance from the electron source, and is a consequence of work function variation due to crystal faces and coatings such as cesium, field enhancement effects due to surface structure, and temperature. Its investigation using particle-in-cell (PIC) codes such as MICHELLE is hampered due to the lack of an emission model that can treat thermal, field, and photoemission effects particularly in crossover regions where the canonical equations, e. g., the Fowler-Nordheim, Richardson-Laue-Dushman, and Fowler-Dubridge equations are compromised. A recently developed thermal-photo-field emission equation is used here to simulate the consequences of nonuniformity due to work function variation induced by coating variation. The analysis is performed both theoretically using simple models as well as using particle-in-cell codes (MICHELLE) to assess changes in current density and emittance. PIC simulations considering an idealized model of geometric effects and crystal face variation indicate that a flat, grainy surface causes the emittance to increase by a factor of 5 while the addition of hemispherical bumps causes the emittance to increase by an additional factor of 6 even though the current is but 10% larger. (c) 2008 American Vacuum Society. C1 [Jensen, Kevin L.; Yater, Joan E.; Shaw, Jonathan L.] USN, Res Lab, ESTD, Washington, DC 20375 USA. [Petillo, John J.] Sci Applicat Intl Corp, Burlington, MA USA. [Montgomery, Eric J.; Pan, Zhigang; Feldman, Donald W.; O'Shea, Patrick G.] Univ Maryland, IREAP, College Pk, MD USA. [Moody, Nathan A.] Los Alamos Natl Lab, Los Alamos, NM USA. [Cahay, M.] Univ Cincinnati, Cincinnati, OH USA. RP Jensen, KL (reprint author), USN, Res Lab, ESTD, Code 6843, Washington, DC 20375 USA. EM kevin.jensen@nrl.navy.mil RI Jensen, Kevin/I-1269-2015 OI Jensen, Kevin/0000-0001-8644-1680 NR 27 TC 13 Z9 13 U1 0 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 MAR-APR PY 2008 VL 26 IS 2 BP 831 EP 837 DI 10.1116/1.2827508 PG 7 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 282XL UT WOS:000254600600067 ER PT J AU Clough, R Celina, M AF Clough, Roger Celina, Mathew TI Outgassing of reactive additives and volatiles SO JOURNAL OF VINYL & ADDITIVE TECHNOLOGY LA English DT Editorial Material C1 [Clough, Roger; Celina, Mathew] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Clough, R (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM traveler1949@comcast.net NR 0 TC 0 Z9 0 U1 0 U2 1 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 1083-5601 J9 J VINYL ADDIT TECHN JI J. Vinyl Addit. Technol. PD MAR PY 2008 VL 14 IS 1 BP 1 EP 2 DI 10.1002/vnl.20138 PG 2 WC Chemistry, Applied; Materials Science, Textiles; Polymer Science SC Chemistry; Materials Science; Polymer Science GA 266KA UT WOS:000253432900001 ER PT J AU Chopakatla, SC Lippmann, TC Richardson, JE AF Chopakatla, Sreenivasa C. Lippmann, Thomas C. Richardson, John E. TI Field verification of a computational fluid dynamics model for wave transformation and breaking in the surf zone SO JOURNAL OF WATERWAY PORT COASTAL AND OCEAN ENGINEERING-ASCE LA English DT Article ID LONGSHORE-CURRENT; SHALLOW-WATER; TURBULENCE AB The commercial computational fluid dynamics model FLOW-3D (Flow Science, Inc., Santa Fe, N.M.) is used to simulate two-dimensional wave transformation and breaking across a naturally barred beach profile. Fine scale pressures and velocities are computed for a 35.5 min period over a two-dimensional beach profile measured during the 1990 Delilah field experiment. The model is driven by observed wave spectra obtained in 8 m water depth, and results compared with a cross-shore array of pressure sensors and current meters extending from near the shoreline to beyond the surf zone and the spatial distribution of wave breaking patterns obtained from video data. In the calculations, wave breaking is a natural consequence of the fluid dynamics and does not require the use of empirical formulations or breaking criteria. Good agreement between modeled and observed wave height transformation, mean cross-shore flow, and wave breaking variability suggests that the model can be used as a numerical laboratory to study the wave breaking and dissipation process in detail, and perhaps lead to improved parametrizations for more computationally efficient numerical models. C1 [Chopakatla, Sreenivasa C.] Pacific NW Natl Lab, Seattle, WA 98109 USA. [Lippmann, Thomas C.] Ohio State Univ, Dept Civil & Environm Engn & Geodet Sci, Byrd Polar Res Ctr, Columbus, OH 43210 USA. [Richardson, John E.] Blue Hill Hydraul Inc, Blue Hill, ME 04614 USA. RP Chopakatla, SC (reprint author), Pacific NW Natl Lab, 1100 Dexter Ave N,Suite 400, Seattle, WA 98109 USA. EM srinic@pnl.gov; lippmann.2@osu.edu NR 28 TC 8 Z9 9 U1 0 U2 2 PU ASCE-AMER SOC CIVIL ENGINEERS PI RESTON PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA SN 0733-950X J9 J WATERW PORT C-ASCE JI J. Waterw. Port Coast. Ocean Eng.-ASCE PD MAR-APR PY 2008 VL 134 IS 2 BP 71 EP 80 DI 10.1061/(ASCE)0733-950X(2008)134:2(71) PG 10 WC Engineering, Civil; Engineering, Ocean; Water Resources SC Engineering; Water Resources GA 266VW UT WOS:000253466400001 ER PT J AU Richerson, J Beatty, B AF Richerson, Joan Beatty, Barbara TI The rodent species is immaterial SO LAB ANIMAL LA English DT Editorial Material ID ANESTHESIA C1 [Richerson, Joan; Beatty, Barbara] Oak Ridge Natl Lab, Bionet Corp, Oak Ridge, TN USA. RP Richerson, J (reprint author), Oak Ridge Natl Lab, Bionet Corp, Oak Ridge, TN USA. NR 5 TC 0 Z9 0 U1 0 U2 0 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK STREET, 9TH FLOOR, NEW YORK, NY 10013-1917 USA SN 0093-7355 J9 LAB ANIMAL JI Lab Anim. PD MAR PY 2008 VL 37 IS 3 BP 105 EP 106 DI 10.1038/laban0308-105b PG 2 WC Veterinary Sciences SC Veterinary Sciences GA 270MF UT WOS:000253724200002 PM 18292766 ER PT J AU Williams, PT Poole, MJ Katos, AM Hilmas, CJ AF Williams, Patrick T. Poole, Melissa J. Katos, Alexandre M. Hilmas, Corey J. TI A new device for the capture and transport of small nonhuman primates in scientific research SO LAB ANIMAL LA English DT Article ID RESTRAINT AB Conventional methods of capturing marmosets and other small nonhuman primates (NHPs) require prolonged physical contact between animals and their handlers. This causes NHPs to become stressed and exhausted and can put both animals and handlers at risk of injury or exposure to infectious diseases. The authors designed a self-contained device for the capture and transport of small NHPs. Food rewards encourage primates to enter the device independently, and handlers can then easily access the animals for routine veterinary or experimental procedures. Preliminary observations suggest that marmosets quickly become accustomed to the device and that the device causes less stress than capture by hand or by net. C1 [Poole, Melissa J.; Katos, Alexandre M.] USA, Med Res Inst Chem Def, Oak Ridge Inst Sci & Educ ORISE Maryland, Aberdeen Proving Ground, MD 21010 USA. [Williams, Patrick T.; Poole, Melissa J.; Katos, Alexandre M.; Hilmas, Corey J.] USA, Neurobehav Toxicol Branch, Anal Toxicol Div, Aberdeen Proving Ground, MD 21010 USA. RP Hilmas, CJ (reprint author), USA, Neurobehav Toxicol Branch, Anal Toxicol Div, 3100 Ricketts Point Rd,APG EA, Aberdeen Proving Ground, MD 21010 USA. EM corey.john.hilnias@us.army.mil NR 12 TC 1 Z9 1 U1 0 U2 0 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK STREET, 9TH FLOOR, NEW YORK, NY 10013-1917 USA SN 0093-7355 J9 LAB ANIMAL JI Lab Anim. PD MAR PY 2008 VL 37 IS 3 BP 116 EP 119 DI 10.1038/laban0308-116 PG 4 WC Veterinary Sciences SC Veterinary Sciences GA 270MF UT WOS:000253724200007 PM 18292773 ER PT J AU Colgan, J Abdallah, J Faenov, AY Pikuz, TA Skobelev, IY Fortov, VE Fukuda, Y Akahane, Y Aoyama, M Inoue, N Yamakawa, K AF Colgan, J. Abdallah, J., Jr. Faenov, A. Y. Pikuz, T. A. Skobelev, I. Y. Fortov, V. E. Fukuda, Y. Akahane, Y. Aoyama, M. Inoue, N. Yamakawa, K. TI The role of hollow atoms in the spectra of an ultrashort-pulse-laser-driven Ar cluster target SO LASER AND PARTICLE BEAMS LA English DT Article DE hollow atoms and ions; spectroscopy; cluster target; laser plasma interaction ID X-RAY-EMISSION; CHARGED IONS; PLASMA; IRRADIATION; RADIATION; CONTRAST; GENERATION; EXCITATION; VACANCIES; SURFACE AB An investigation is made of the role of hollow atoms in the spectra of an ultrashort-pulse-laser-driven Ar cluster target. Experimental measurements are presented from an Ar cluster-gas target using short-pulse lasers with various intensities, durations, and contrasts. Calculations in support of these measurements have been performed using a detailed atomic kinetics model with the ion distributions found from solution of the time-dependent rate equations. The calculations are in good agreement with the measurements and the role of hollow atoms in the resulting complicated spectra is analyzed. It is demonstrated that, although the presence of hollow atoms is estimated to add only around 2% to the total line emission, signatures of hollow atom spectra can be identified in the calculations, which are qualitatively supported by the experimental measurements. C1 [Colgan, J.; Abdallah, J., Jr.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Faenov, A. Y.; Pikuz, T. A.; Skobelev, I. Y.; Fortov, V. E.] Russian Acad Sci, Joint Inst High Temp, Moscow, Russia. [Faenov, A. Y.; Pikuz, T. A.; Fukuda, Y.; Akahane, Y.; Aoyama, M.; Inoue, N.; Yamakawa, K.] Japan Atom Energy Agcy, Kansai Photon Sci Inst, Kyoto, Japan. RP Colgan, J (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM jcolgan@lanl.gov OI Colgan, James/0000-0003-1045-3858 NR 47 TC 13 Z9 13 U1 0 U2 3 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0263-0346 J9 LASER PART BEAMS JI Laser Part. Beams PD MAR PY 2008 VL 26 IS 1 BP 83 EP 93 DI 10.1017/S0263034608000116 PG 11 WC Physics, Applied SC Physics GA 293ID UT WOS:000255328100011 ER PT J AU Hancock, JM Adams, NC Aidinis, V Blake, A Blake, JA Bogue, M Brown, SDM Chesler, EJ Davidson, D Duran, C Eppig, JT Gailus-Durner, V Gates, H Gkoutos, GV Greenaway, S de Angelis, MH Kollias, G Leblanc, S Lee, K Lengger, C Maier, H Mallon, AM Masuya, H Melvin, DG Muller, W Parkinson, H Proctor, G Reuveni, E Schofield, P Shukla, A Smith, C Toyoda, T Vasseur, L Wakana, S Walling, A White, J Wood, J Zouberakis, M AF Hancock, John M. Adams, Niels C. Aidinis, Vassilis Blake, Andrew Blake, Judith A. Bogue, Molly Brown, Steve D. M. Chesler, Elissa J. Davidson, Duncan Duran, Christopher Eppig, Janan T. Gailus-Durner, Valerie Gates, Hilary Gkoutos, Georgios V. Greenaway, Simon de Angelis, Martin Hrabe Kollias, George Leblanc, Sophie Lee, Kirsty Lengger, Christoph Maier, Holger Mallon, Ann-Marie Masuya, Hiroshi Melvin, David G. Mueller, Werner Parkinson, Helen Proctor, Glenn Reuveni, Eli Schofield, Paul Shukla, Aadya Smith, Cynthia Toyoda, Tetsuro Vasseur, Laurent Wakana, Shigeharu Walling, Alison White, Jacqui Wood, Joe Zouberakis, Michalis TI Integration of mouse phenome data resources (vol 18, pg 157, 2007) SO MAMMALIAN GENOME LA English DT Correction C1 [Hancock, John M.; Blake, Andrew; Brown, Steve D. M.; Duran, Christopher; Gates, Hilary; Greenaway, Simon; Mallon, Ann-Marie] MRC, Mammalian Genet Unit, Didcot OX11 0RD, Oxon, England. [Adams, Niels C.; Melvin, David G.; White, Jacqui] Wellcome Trust Sanger Inst, Cambridge CB10 1SA, England. [Aidinis, Vassilis; Kollias, George; Zouberakis, Michalis] BSRC Fleming, Athens 16672, Greece. [Blake, Judith A.; Bogue, Molly; Eppig, Janan T.; Smith, Cynthia] Jackson Lab, Bar Harbor, ME 04609 USA. [Chesler, Elissa J.] Oak Ridge Natl Lab, Biosci Div, Syst Genet Grp, Oak Ridge, TN 37831 USA. [Davidson, Duncan; Lee, Kirsty] MRC Human Genet Unit, Edinburgh EH4 2XU, Midlothian, Scotland. [Gailus-Durner, Valerie; de Angelis, Martin Hrabe; Lengger, Christoph; Maier, Holger] GSF, Natl Res Ctr Environm & Hlth, Inst Expt Genet, D-85764 Neuherberg, Germany. [Gkoutos, Georgios V.] Univ Cambridge, Dept Genet, Cambridge CB2 3EH, England. [Leblanc, Sophie; Vasseur, Laurent] Inst Clin Souris, F-67404 Illkirch Graffenstaden, France. [Masuya, Hiroshi; Toyoda, Tetsuro; Wakana, Shigeharu] RIKEN Gen Sci Ctr, Tsukuba, Ibaraki, Japan. [Mueller, Werner] Helmholtz Zentrum Infektionsforsch GmbH, D-38124 Braunschweig, Germany. [Mueller, Werner] Univ Manchester, Fac Life Sci, Manchester M13 9PT, Lancs, England. [Parkinson, Helen; Proctor, Glenn] European Bioinformat Inst, Cambridge CB10 1SD, England. [Reuveni, Eli] EMBL Monterotondo Outstn, Mouse Biol Unit, I-00016 Monterotondo, Italy. [Schofield, Paul] Univ Cambridge, Dept Physiol Dev & Neurosci, Cambridge CB2 3DY, England. [Shukla, Aadya] Univ Oxford, Comp Lab, Oxford OX1 3QD, England. [Walling, Alison; Wood, Joe] MRC, Mary Lyon Ctr, Didcot OX11 0RD, Oxon, England. RP Hancock, JM (reprint author), MRC, Mammalian Genet Unit, Didcot OX11 0RD, Oxon, England. EM J.Hancock@har.mrc.ac.uk RI Kollias, George/A-7079-2012; Lengger, Christoph/M-9831-2014; Gailus-Durner, Valerie/M-7337-2014; Masuya, Hiroshi/A-6442-2016 OI Kollias, George/0000-0003-1867-3150; Masuya, Hiroshi/0000-0002-3392-466X NR 1 TC 1 Z9 1 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0938-8990 J9 MAMM GENOME JI Mamm. Genome PD MAR PY 2008 VL 19 IS 3 BP 219 EP 220 DI 10.1007/s00335-008-9099-8 PG 2 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity GA 276AB UT WOS:000254112400008 ER PT J AU Cheng, YZ Wu, MM Peng, J Xiao, XL Li, ZX Hu, ZB Kiyanagi, R Fieramosca, JS Short, S AF Cheng, Y. Z. Wu, M. M. Peng, J. Xiao, X. L. Li, Z. X. Hu, Z. B. Kiyanagi, R. Fieramosca, J. S. Short, S. TI Structural studies of Fe doped Bi2Mo3O12 catalysts using neutron and X-ray powder diffraction SO MATERIALS TECHNOLOGY LA English DT Article DE bismuth molybdate; iron; neutron powder diffraction; structure refinement ID BISMUTH MOLYBDATE CATALYST; CRYSTAL-STRUCTURE; SELECTIVE OXIDATION; AMMOXIDATION; PROPYLENE; ALPHA-BI2MO3O12; PARAMETERS; BI2(MOO4)3; MECHANISM; PROPENE AB The Fe doped Bi2Mo3O12 catalysts Bi1.94Fe0.06Mo3O12 and Bi1.80Fe0.20Mo3O12 have been successfully prepared, and their structures have been investigated by using neutron powder diffraction. Rietveld analyses indicate that Fe atoms prefer to take the scheelite vacancies (site c) and the existence of Fe in site c would induce Bi vacancies in adjacent site b synchronously. Thus disordered Bi vacancies could promote catalytic reaction by accelerating the abstraction of alpha-H from alkene and the transfer of lattice oxygen in crystal structure. Decreases in cell volumes are observed as Fe doping in crystal structures, and this should be induced by the overall decreases in bond lengths and interatomic distances. Calculations of bond valence reveal the possible existence of Fe(II) which should improve the catalytic performance of Fe-Bi-Mo-O catalyst compared with pure Bi2Mo3O12 compound. C1 [Cheng, Y. Z.; Wu, M. M.; Peng, J.; Xiao, X. L.; Li, Z. X.; Hu, Z. B.] Chinese Acad Sci, Grad Univ, Coll Chem & Chem Engn, Beijing 100049, Peoples R China. [Cheng, Y. Z.] Shandong Univ Technol, Coll Chem Engn, Zibo 255049, Peoples R China. [Kiyanagi, R.; Fieramosca, J. S.; Short, S.] Argonne Natl Lab, INPS MSD, Argonne, IL 60439 USA. RP Hu, ZB (reprint author), Chinese Acad Sci, Grad Univ, Coll Chem & Chem Engn, Beijing 100049, Peoples R China. EM huzq@gucas.ac.cn NR 31 TC 1 Z9 1 U1 3 U2 9 PU MANEY PUBLISHING PI LEEDS PA STE 1C, JOSEPHS WELL, HANOVER WALK, LEEDS LS3 1AB, W YORKS, ENGLAND SN 1066-7857 J9 MATER TECHNOL JI Mater. Technol. PD MAR PY 2008 VL 23 IS 1 BP 33 EP 38 DI 10.1179/175355508X266935 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA 332NS UT WOS:000258090300007 ER PT J AU Senesac, L Thundat, TG AF Senesac, Larry Thundat, Thomas G. TI Nanosensors for trace explosive detection SO MATERIALS TODAY LA English DT Review ID NANOELECTROMECHANICAL SYSTEMS; CHEMICAL-DETECTION; CARBON NANOTUBES; ELECTRONIC NOSE; VAPOR MIXTURES; SURFACE STRESS; POLYMER-FILMS; SENSOR ARRAY; TNT; MICROCANTILEVERS AB Selective and sensitive detection of explosives is very important in countering terrorist threats. Detecting trace explosives has become a very complex and expensive endeavor because of a number of factors, such as the wide variety of materials that can be used as explosives, the lack of easily detectable signatures, the vast number of avenues by which these weapons can be deployed, and the lack of inexpensive sensors with high sensitivity and selectivity. High sensitivity and selectivity, combined with the ability to lower the deployment cost of sensors using mass production, is essential in winning the war on explosives-based terrorism. Nanosensors have the potential to satisfy all the requirements for an effective platform for the trace detection of explosives. C1 [Senesac, Larry; Thundat, Thomas G.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Thundat, TG (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM thundattg@ornl.gov NR 76 TC 170 Z9 173 U1 5 U2 91 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1369-7021 J9 MATER TODAY JI Mater. Today PD MAR PY 2008 VL 11 IS 3 BP 28 EP 36 DI 10.1016/S1369-7021(08)70017-8 PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA 268TT UT WOS:000253603200017 ER PT J AU Peurrung, A AF Peurrung, Anthony TI Material science for nuclear detection SO MATERIALS TODAY LA English DT Article ID SCINTILLATION PROPERTIES; RAY; NAI(TL); GE AB The increasing importance of nuclear detection technology has led to a variety of research efforts that seek to accelerate the discovery and development of useful new radiation detection materials. These efforts aim to improve our understanding of how these materials perform, develop formalized discovery tools, and enable rapid and effective performance characterization. We provide an overview of these efforts along with an introduction to the history, physics, and taxonomy of radiation detection materials. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Peurrung, A (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM aj.peurrung@pnl.gov NR 26 TC 16 Z9 16 U1 1 U2 6 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1369-7021 J9 MATER TODAY JI Mater. Today PD MAR PY 2008 VL 11 IS 3 BP 50 EP 54 DI 10.1016/S1369-7021(08)70019-1 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA 268TT UT WOS:000253603200019 ER PT J AU Mendelson, J Rawson, R Newton, T Galloway, G de Wit, H Dewey, SL Hart, CL Epstein, DH AF Mendelson, John Rawson, Rick Newton, Thomas Galloway, Gantt de Wit, Harriet Dewey, Stephen L. Hart, Carl L. Epstein, David H. TI Treatment of methamphetamine dependence SO MAYO CLINIC PROCEEDINGS LA English DT Letter C1 [Mendelson, John; Galloway, Gantt] Univ Calif San Francisco, St Lukes Hosp, Addict Pharmacol Res Lab, Calif Pacific Med Ctr,Res Inst, San Francisco, CA 94143 USA. [Rawson, Rick; Newton, Thomas] Univ Calif Los Angeles, Geffen Sch Med, Semel Inst, UCLA Integrated Substance Abuse Programs, Los Angeles, CA 90024 USA. [de Wit, Harriet] Univ Chicago, Human Behav Pharmacol Lab, Chicago, IL 60637 USA. [Dewey, Stephen L.] NYU, Sch Med, Brookhaven Natl Lab, New York, NY USA. [Hart, Carl L.] Columbia Univ, New York, NY USA. [Epstein, David H.] NIDA, Clin Pharmacol & Therapeut Branch, Intramural Res Program, Baltimore, MD USA. RP Mendelson, J (reprint author), Univ Calif San Francisco, St Lukes Hosp, Addict Pharmacol Res Lab, Calif Pacific Med Ctr,Res Inst, San Francisco, CA 94143 USA. OI newton, thomas/0000-0002-3198-5901; de Wit, Harriet/0000-0002-7211-8994 NR 2 TC 0 Z9 0 U1 0 U2 3 PU MAYO CLINIC PROCEEDINGS PI ROCHESTER PA 660 SIEBENS BLDG MAYO CLINIC, ROCHESTER, MN 55905 USA SN 0025-6196 J9 MAYO CLIN PROC JI Mayo Clin. Proc. PD MAR PY 2008 VL 83 IS 3 BP 369 EP 370 PG 2 WC Medicine, General & Internal SC General & Internal Medicine GA 267MJ UT WOS:000253512800022 PM 18316008 ER PT J AU Lefmann, K Schober, H Mezei, F AF Lefmann, Kim Schober, Helmut Mezei, Feri TI Simulation of a multiple-wavelength time-of-flight neutron spectrometer for a long-pulsed spallation source SO MEASUREMENT SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 4th European Conference on Neutron Scattering CY JUN, 2007 CL Lund, SWEDEN DE neutron instrumentation; time-of-flight spectroscopy; neutron ray-tracing simulation ID NEAT AB We have performed design studies and ray-tracing simulations of a direct-geometry spectrometer at the cold moderator of a long-pulsed 5 MW neutron spallation source. A 100 m long guide path makes it possible to achieve 2% elastic resolution at 5 angstrom incoming neutron wavelength, without a need to shorten the 2 ms long source pulse. Assuming a 16 2/3 Hz repetition rate, the 60 ms time between pulses allows us to extract from each source pulse several monochromatic pulses at the sample with a spacing in the range 5-10 ms. These pulses are equidistantly spaced in wavelength with delta lambda approximate to 0.2-0.4 angstrom depending on the spectrometer setting. If all these bands contain useful information, the spectrometer gains up to an order of magnitude in incident flux from the repetition scheme. The incident flux will then reach values of roughly 100 times the present IN5 spectrometer at the ILL at similar resolution and frame length. There are possibilities of optimizing the guide design further, to achieve even higher flux values. Virtual experiments provide us with the final energy resolution of the spectrometer, including the line shapes. The performance of the instrument is found to be excellent, judged by the virtual data. Such an instrument positioned at a long-pulsed neutron spallation source would be very powerful for cold neutron spectroscopy for energy transfers in the range 10 mu eV to 10 meV. C1 [Lefmann, Kim] Tech Univ Denmark, Riso Natl Lab, Mat Res Dept, DK-4000 Roskilde, Denmark. [Schober, Helmut] Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France. [Mezei, Feri] Hahn Meitner Inst Berlin GmbH, D-1000 Berlin, Germany. [Mezei, Feri] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Lefmann, K (reprint author), Tech Univ Denmark, Riso Natl Lab, Mat Res Dept, DK-4000 Roskilde, Denmark. RI Lefmann, Kim/M-9228-2014 OI Lefmann, Kim/0000-0003-4282-756X NR 24 TC 7 Z9 7 U1 1 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0957-0233 EI 1361-6501 J9 MEAS SCI TECHNOL JI Meas. Sci. Technol. PD MAR PY 2008 VL 19 IS 3 AR 034025 DI 10.1088/0957-0233/19/3/034025 PG 12 WC Engineering, Multidisciplinary; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 267ZC UT WOS:000253546700026 ER PT J AU Liang, Y Ahn, DC Sofronis, P Dodds, RH Bammann, D AF Liang, Y. Ahn, D. C. Sofronis, P. Dodds, R. H., Jr. Bammann, D. TI Effect of hydrogen trapping on void growth and coalescence in metals and alloys SO MECHANICS OF MATERIALS LA English DT Article DE void growth; void coalescence; hydrogen embrittlement; plasticity; localization ID AUSTENITIC STAINLESS-STEEL; DUCTILE CRACK-GROWTH; HIGH-PURITY IRON; ELASTIC-PLASTIC SOLIDS; TRIAXIAL STRESS-FIELDS; NOTCHED BEND SPECIMENS; PLAIN CARBON-STEELS; MECHANICAL-PROPERTIES; SHEAR LOCALIZATION; FRACTURE PROCESSES AB The hydrogen effect on void growth and coalescence is investigated by studying the deformation of a unit cell containing a spherical void in the presence of hydrogen. Hydrogen affects the mechanical response of the matrix material by softening the plastic response and by dilating the lattice. The intensity of these effects varies within the matrix material and depends on the amount of the local hydrogen concentration. The hydrogen concentration in the matrix is determined by assuming that hydrogen is in equilibrium with (a) local hydrostatic stress which dictates the amount of hydrogen accumulation in the stressed lattice relatively to the stress-free lattice and (b) local plastic strain which dictates the amount of hydrogen solute atoms trapped at dislocations. The coupled boundary value problem is solved by the finite element method. Numerical results for a niobium system indicate that hydrogen has no significant effect on void growth at all triaxialities when trapping is characterized by one hydrogen atom per atomic plane threaded by a dislocation. In contrast, when hydrogen solutes can be trapped by dislocations at larger amounts (e.g., 10 hydrogen atoms per atomic plane threaded by a dislocation), hydrogen was found to have a strong effect on the coalescence stage at small triaxialities (e.g., 1/3) and cause the link-up of voids. The acceleration of void coalescence serves as a mechanistic model to characterize the hydrogen-induced ductile rupture processes within the framework of the hydrogen-enhanced localized plasticity (HELP) mechanism for hydrogen embrittlement. (c) 2007 Elsevier Ltd. All rights reserved. C1 [Ahn, D. C.; Sofronis, P.] Univ Illinois, Dept Mech Sci Engn, Urbana, IL 61801 USA. [Liang, Y.] Abaqus Inc, Providence, RI 02909 USA. [Dodds, R. H., Jr.] Univ Illinois, Dept Civil & Environm Engn, Urbana, IL 61801 USA. [Bammann, D.] Sandia Natl Labs, Ctr Mat & Engn Sci, Livermore, CA 94550 USA. RP Sofronis, P (reprint author), Univ Illinois, Dept Mech Sci Engn, 1206 W Green St, Urbana, IL 61801 USA. EM sofronis@uiuc.edu NR 93 TC 22 Z9 24 U1 4 U2 24 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-6636 EI 1872-7743 J9 MECH MATER JI Mech. Mater. PD MAR PY 2008 VL 40 IS 3 BP 115 EP 132 DI 10.1016/j.mechmat.2007.07.001 PG 18 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA 240OY UT WOS:000251598100003 ER PT J AU Williams, PT AF Williams, Paul T. TI Reduced diabetic, hypertensive, and cholesterol medication use with walking SO MEDICINE AND SCIENCE IN SPORTS AND EXERCISE LA English DT Article DE prevention; epidemiology; population; aging; exercise ID PHYSICAL-ACTIVITY; CARDIORESPIRATORY FITNESS; HERITAGE FAMILY; WOMEN; EXERCISE; RISK; MEN; MELLITUS; DISEASE; ASSOCIATION AB Purpose: To assess the relationships of walking distance, frequency, and intensity to the prevalence of antidiabetic, antilrypertensive, and LDL cholesterol-lowering medications use. Methods: Cross-sectional analyses of 32,683 female and 8112 male participants of the National Walkers' Health Study, of whom 2.8% and 7.4% reported antidiabetic, 14.3% and 29.0% reported antilrypertensive, and 7.3% and 21.5% reported LDL cholesterol-lowering medication use, respectively. Results: Weekly walking distance, longest walk, and walking intensity were inversely related to the prevalence of antidiabetic (males: P < 0.001, females: P < 0.0001), antilrypertensive (males: P < 0.01, females: P < 0.0001), and LDL cholesterol-lowering medications (males: P < 0.01, females: P < 0.0001). Each medication remained significantly related to both walking intensity and longest weekly walk when adjusted for total weekly distance. Compared with men and women who walked at a speed of < 1.2 m.s(-1), those who walked > 2.1 m.s(-1) had 48% and 52% lower odds for antihypertensive, 68% and 59% lower odds for antidiabetic, and 53% and 40% lower odds for LDL cholesterol-lowering medications, respectively, when adjusted for age, smoking, and diet. The longest usual weekly walk was a better discriminator of medication status than the total cumulative distance per week, particularly in men. Conclusion: These results are consistent with the hypothesis that antidiabetic, antilrypertensive, and LDL cholesterol-lowering medication use may be reduced substantially by walking more intensely and farther each week, and by including longer walks. C1 [Williams, Paul T.] Ernest Orlando Lawrence Berkeley Lab, Div Life Sci, Donner Lab, Berkeley, CA 94720 USA. RP Williams, PT (reprint author), Ernest Orlando Lawrence Berkeley Lab, Div Life Sci, Donner Lab, Berkeley, CA 94720 USA. EM ptwilliams@lbl.gov FU NHLBI NIH HHS [HL-072110, HL-45652, R01 HL072110]; NIA NIH HHS [R03 AG032004, R03 AG032004-01A1]; NIDDK NIH HHS [DK066738, R01 DK066738] NR 30 TC 23 Z9 27 U1 1 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0195-9131 J9 MED SCI SPORT EXER JI Med. Sci. Sports Exerc. PD MAR PY 2008 VL 40 IS 3 BP 433 EP 443 DI 10.1249/mss.0b013e31815f381f1 PG 11 WC Sport Sciences SC Sport Sciences GA 264LV UT WOS:000253289700006 PM 18379204 ER PT J AU Zhou, SH Napolitano, RE AF Zhou, S. H. Napolitano, R. E. TI Modeling of thermodynamic properties and phase equilibria for the Al-Sm binary system SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article ID INTERMETALLIC COMPOUNDS; ASSOCIATION MODEL; AMORPHOUS-ALLOYS; MOLAR ENTHALPIES; LIQUID ALLOYS; ALUMINUM; LA; CRYSTALLIZATION; CERIUM; PSEUDOPOTENTIALS AB The thermodynamic properties and associated phase equilibria for the Al-Sm binary system are examined, and experimental results regarding the stability of the Al(3)Sm, Al(11)Sm(3), and Al(4)Sm intermetallics are incorporated. In the analysis presented, the liquid phase is described using a three-species association model, the intermediate phases are treated as stoichiometric compounds, and the terminal phases are treated as solid solutions with a single sublattice model. In addition to the stable phases, thermodynamic descriptions of the metastable Al(11)Sm(3)-alpha and Al(4)Sm-gamma phases are employed, and both stable and metastable phase equilibria are presented over the full composition range, providing a general model, which is consistent with available experimental data. Metastable liquidus curves are examined with respect to the observed crystallization behavior of amorphous Al-Sm alloys. C1 [Zhou, S. H.; Napolitano, R. E.] US DOE, Ames Lab, Ames, IA 50011 USA. [Napolitano, R. E.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Zhou, SH (reprint author), US DOE, Ames Lab, 204A Wilhelm Hall, Ames, IA 50011 USA. EM ralphn@iastate.edu NR 41 TC 9 Z9 12 U1 1 U2 9 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1073-5623 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD MAR PY 2008 VL 39A IS 3 BP 502 EP 512 DI 10.1007/s11661-007-9445-6 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 262FD UT WOS:000253133500003 ER PT J AU Govier, RK Gray, GT Blumenthal, WR AF Govier, R. K. Gray, G. T., III Blumenthal, W. R. TI Comparison of the influence of temperature on the high-strain-rate mechanical responses of PBX 9501 and EDC37 SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article; Proceedings Paper CT 4th Symposium on the Dynamic Behavior of Materials held at the 2007 TMS Annual Meeting and Exhibition CY FEB 25-MAR 01, 2007 CL Orlando, FL SP TMS Struct Mat Div, TMS/ASM Mech Behav Mat Comm ID POLYMER BONDED EXPLOSIVES; DEFORMATION; BEHAVIOR; FAILURE; STRESS AB Many high-strain-rate compression measurements (2000 per second) using a specially designed split Hopkinson pressure bar (SHPB) for the plastic-bonded explosive PBX9501 have been reported in the literature, but there is a sparsity of data for a United Kingdom polymer-bonded explosives (PBX) known as EDC37. Both EDC37 and PBX9501 are cyclotetramethylenetetranitramine-based (HMX-b